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authorKarl Berry <karl@freefriends.org>2012-07-30 22:38:24 +0000
committerKarl Berry <karl@freefriends.org>2012-07-30 22:38:24 +0000
commit2ad9f930b70a9958600f293faca4906b6730185a (patch)
tree53a7942f2ef66d48f3aa5fe0a950da36b57a4411 /Master/texmf-dist/doc/latex/mychemistry
parentbcf694a0835cc008732c04f517813ab94f02963e (diff)
mychemistry (30jul12)
git-svn-id: svn://tug.org/texlive/trunk@27251 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/latex/mychemistry')
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/README41
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/examples.pdfbin541853 -> 941952 bytes
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/examples.tex811
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.pdfbin888157 -> 0 bytes
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.tex1791
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.pdfbin840157 -> 1192584 bytes
-rw-r--r--Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.tex2031
7 files changed, 1296 insertions, 3378 deletions
diff --git a/Master/texmf-dist/doc/latex/mychemistry/README b/Master/texmf-dist/doc/latex/mychemistry/README
index caf794b6c7b..58986e7635b 100644
--- a/Master/texmf-dist/doc/latex/mychemistry/README
+++ b/Master/texmf-dist/doc/latex/mychemistry/README
@@ -1,13 +1,17 @@
--------------------------------------------------------------------------
-the myChemistry package v1.5.1
-Create reaction schemes with LaTeX and ChemFig
-2011/04/27
+the MYCHEMISTRY package v1.99
+
+ create reaction schemes with LaTeX and chemfig
+
--------------------------------------------------------------------------
Clemens Niederberger
-Web: http://www.niederberger-berlin.net/2011/02/latex-mychemistry/
-E-Mail: kontakt@niederberger-berlin.net
+Web: https://www.bitbucket.org/cgnieder/mychemistry
+E-Mail: contact@mychemistry.eu
--------------------------------------------------------------------------
-Copyright 2011 Clemens Niederberger
+If you have any ideas, questions, suggestions or bugs to report, please
+feel free to contact me.
+--------------------------------------------------------------------------
+Copyright 2011--2012 Clemens Niederberger
This work may be distributed and/or modified under the
conditions of the LaTeX Project Public License, either version 1.3
@@ -21,27 +25,6 @@ This work has the LPPL maintenance status `maintained'.
The Current Maintainer of this work is Clemens Niederberger.
-This work consists of the files mychemistry.sty, mychemistry_de.tex,
-mychemistry_en.tex, examples.tex
---------------------------------------------------------------------------
-myChemistry provides commands for typesetting complex reaction schemes
-with LaTeX and ChemFig.
---------------------------------------------------------------------------
-myChemistry relies on the ChemFig-package and won't work, if it isn't
-installed. That also means that myChemistry needs TikZ to be installed.
---------------------------------------------------------------------------
-myChemistry bundles the packages ChemFig, mhchem, chemcompounds and
-chemexec. With package options one can prevent myChemistry from loading
-any chemistry related packages except ChemFig, though.
---------------------------------------------------------------------------
-The command \arrow[both]{}{} needs at least pgf version from 09/08/2010.
-It will work with older versions, if you don't use the arrow option
-`both'.
---------------------------------------------------------------------------
-The file bondwidth.tex provides the command \setbondwidth{<width>}
-for ChemFig and is included with \input{bondwidth} after
-\usepackage{chemfig} or \usepackage{mychemistry}.
---------------------------------------------------------------------------
-If you have any ideas, questions, suggestions or bugs to report, please
-feel free to contact me.
+This work consists of the files mychemistrysty, mychemistry_en.tex,
+README and the derived file mychemistry_en.pdf.
-------------------------------------------------------------------------- \ No newline at end of file
diff --git a/Master/texmf-dist/doc/latex/mychemistry/examples.pdf b/Master/texmf-dist/doc/latex/mychemistry/examples.pdf
index 7fc375e6aea..88eda6001e8 100644
--- a/Master/texmf-dist/doc/latex/mychemistry/examples.pdf
+++ b/Master/texmf-dist/doc/latex/mychemistry/examples.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/mychemistry/examples.tex b/Master/texmf-dist/doc/latex/mychemistry/examples.tex
index ba97166aa1f..46dbc964660 100644
--- a/Master/texmf-dist/doc/latex/mychemistry/examples.tex
+++ b/Master/texmf-dist/doc/latex/mychemistry/examples.tex
@@ -1,217 +1,109 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ------------------------------------------------------------------------------------- %
-% - myChemistry - mychemistry_en.tex -------------------------------------------------- %
-% - Create reaction schemes with LaTeX and ChemFig ------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - Clemens Niederberger -------------------------------------------------------------- %
-% - 2011/04/27 ------------------------------------------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - http://www.niederberger-berlin.net/2011/02/latex-mychemistry/ --------------------- %
-% - kontakt@niederberger-berlin.net --------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - If you have any ideas, questions, suggestions or bugs to report, please feel free - %
-% - to contact me. -------------------------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - Copyright 2011 Clemens Niederberger - %
-% - - %
-% - This work may be distributed and/or modified under the - %
-% - conditions of the LaTeX Project Public License, either version 1.3 - %
-% - of this license or (at your option) any later version. - %
-% - The latest version of this license is in - %
-% - http://www.latex-project.org/lppl.txt - %
-% - and version 1.3 or later is part of all distributions of LaTeX - %
-% - version 2005/12/01 or later. - %
-% - - %
-% - This work has the LPPL maintenance status `maintained'. - %
-% - - %
-% - The Current Maintainer of this work is Clemens Niederberger. - %
-% - - %
-% - This work consists of the files mychemistry.sty, mychemistry_de.tex, - %
-% - mychemistry_en.tex, examples.tex - %
-% ------------------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\documentclass[DIV10,titlepage,toc=index]{scrartcl}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Pakete ---------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{standalone}
-\usepackage{scrhack} % verbessert KOMAs Zusammenspiel mit floats
-\usepackage{emerald} % Schriftarten
-\usepackage[utf8]{inputenx} % Zeichenkodierung: Eingabe
-\usepackage[T1]{fontenc} % Text-Ausgabe-Codierung
-\usepackage{textcomp,mathcomp}
-\usepackage[english]{babel} % Sprache
-\usepackage{xspace,paralist} % xspace und Listen
-\usepackage{siunitx}
- \DeclareSIUnit{\emlength}{em}
- \DeclareSIUnit{\pt}{pt}
- \sisetup{separate-uncertainty = true,
- exponent-product = \cdot,
- per-mode = symbol}
-\usepackage{listings,fancyvrb} % wortwörtliche Anzeige
- \newcommand{\vitem}[1][]{\SaveVerb[aftersave={\item[\textnormal{\UseVerb[#1]{vsave}}]}]{vsave}}
-\usepackage[perpage,multiple]{footmisc} % Fußnoten
-\usepackage[ngerman]{varioref} % flexibles Referenzieren
- \labelformat{section}{section #1}
- \labelformat{subsection}{section #1}
- \labelformat{subsubsection}{section #1}
-\usepackage[dvipsnames]{xcolor} % Farbe
- \colorlet{code}{RawSienna}
- \xdefinecolor{MyDarkRed}{rgb}{0.4392,0.0627,0.0627}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Hyperlinks ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{hyperref}
- \hypersetup{colorlinks=true, % Setup der Hyperlinks und des pdf
- linkcolor=MyDarkRed!20!red,
- urlcolor=blue!70,
- plainpages=false,
- bookmarksopen=true,
- bookmarksopenlevel=2,
- bookmarksnumbered=true,
- pdfstartview=FitH,
- pdfauthor={Clemens Niederberger},
- pdftitle={myChemistry - Examples},
- pdfsubject={Create reaction schemes with LaTeX and ChemFig},
- pdfkeywords={myChemistry},
- pdfcreator={LaTeX}
- }
-\usepackage[english,color=MyDarkRed]{mychemistry} % myChemistry
-\renewcommand\thebeispiel{\arabic{beispiel}} % chemexec angepasst
- \labelformat{beispiel}{example #1}
- \labelformat{rxnfloat}{scheme #1}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Listings anpassen ----------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\fvset{numbers=left,numbersep=3pt,xleftmargin=20pt,gobble=0,numberblanklines=true}
-\lstset{literate={ä}{{\"a}}1 {ö}{{\"o}}1 {ü}{{\"u}}1 {Ä}{{\"A}}1 {Ö}{{\"O}}1 {Ü}{{\"U}}1 {ß}{{\ss}}1}
-\lstset{
- language=[LaTeX]TeX,
- basicstyle={\ttfamily}, % Grundstil
- extendedchars=true,
- numbers=left, % Zeilennummern
- numberstyle=\tiny, % Größe des Zeilennummern
- numberblanklines=true, % Leerzeilen nummerieren
- gobble=0, % das erste Leerzeichen abschneiden
- xleftmargin=20pt, % Einrückung links
- breaklines=true, % Zeilenumbruch
- moredelim=[is][\color{red!25!purple}]{!!}{!!},% Hervorhebung
- commentstyle={\color[named]{Gray}},
- emph={begin,end}, % Umgebungen hervorheben
- emphstyle=\color{red},
- keywordstyle=\color{code},
- keywordstyle=[20]\color{blue},
- morekeywords=[20]{rxn,rxnfloat,rxnscheme,tikzpicture},
- texcsstyle=[30]\color{code},
- moretexcs=[30]{anywhere,arrow,branch,chemabove,chemand,chembelow,chemfig,chemmove,chemname,chemrel,chemsign,ce,color,compound,declarecompound,draw,dummy,elmove,floatplacement,floatstyle,Hpl,Hyd,lewis,listof,makeinvisible,makevisible,marrow,mCsetup,merge,mesomeric,node,nu,om,op,ox,pgfpositionnodelater,reactant,restylefloat,setarrowlength,setarrowline,setatomsep,setatomsize,setbondlength,setbondshape,setcrambond,setmergelength,setrcndist,setrxnalign,setschemealign,setschemename,si,SI,textcolor,transition,vflipnext},
- fancyvrb=true
- }
+\documentclass[DIV10]{cnpkgdoc}
+\docsetup{
+ pkg = mychemistry,
+ title = mychemistry -- examples,
+ subtitle = Create Reaction Schemes with \LaTeXe\ and Chemfig ,
+ code-box = {
+ skipbelow = .5\baselineskip plus .5ex minus .5ex ,
+ skipabove = .5\baselineskip plus .5ex minus .5ex ,
+ roundcorner = 3pt ,
+ innerleftmargin = 1.5em ,
+ innerrightmargin = 1.5em
+ }
+}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Kopf- und Fußzeile ---------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{scrpage2}
-\pagestyle{scrheadings}
-\setheadwidth{textwithmarginpar}
-\automark{section}
-\ihead{\mC v\mCversion}
-\ohead{\bfseries Examples}
-\ifoot{\small\color{gray}-~page~\thepage~-}
-\cfoot{}
-\ofoot{}
+\addcmds{
+ @addtoreset,
+ anywhere,
+ arrow,
+ branch,
+ celsius,
+ ch,
+ chemabove,
+ chemand,
+ chembelow,
+ chemfig,
+ chemname,
+ cmpd,
+ colorlet,
+ command,
+ draw,
+ elmove,
+ floatstyle,
+ fpch,
+ fplus,
+ fscrm,
+ fscrp,
+ Hpl,
+ iupac,
+ lewis,
+ Lewis,
+ listof,
+ makeinvisible,
+ makevisible,
+ marrow,
+ mch,
+ mCsetup,
+ mech,
+ mesomeric,
+ N,
+ node,
+ para,
+ pch,
+ phantom,
+ reactant,
+ restylefloat,
+ setarrowlabel,
+ setarrowlength,
+ setarrowline,
+ setatomsep,
+ setatomsize,
+ setbondlength,
+ setbondshape,
+ setcrambond,
+ setmergelength,
+ setrcndist,
+ setrxnalign,
+ setschemealign,
+ setschemename,
+ SI,
+ text,
+ therxnscheme,
+ tikzset,
+ trans,
+ transition
+}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Komascript ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\setkomafont{disposition}{\rmfamily\bfseries} % Gewicht fett und Schriftart roman
+\chemsetup[option]{circled=all}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - neue Befehle ---------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - weitere Makros -------------------------------------------------------------------- %
-\newcommand{\mC}{{\color{MyDarkRed}\ECFJD my\-Chemis\-try}\xspace} % Paketname
-\newcommand{\CF}{{\ECFAugie ChemFig}\xspace} % ChemFig in der originalen Schrift
-\newcommand{\eg}{\mbox{e.\,g.}\xspace}
-\newcommand{\TikZ}{\mbox{Ti{\bfseries\itshape k}Z}\xspace}
-\newcommand*\scrom{\scriptstyle\ominus}
-\newcommand*\scrop{\scriptstyle\oplus}
-\begin{document}
-\begin{titlepage}
- % inspired by the titlepage of chemfig's documentation
- \begin{tikzpicture}[remember picture,overlay]
- \shade [color=MyDarkRed,right color=white](current page.south west) rectangle ([yshift=3cm,xshift=-3cm]current page.center);
- \shade[top color=black,bottom color=MyDarkRed]([yshift=7cm]current page.east)rectangle([yshift=2.5cm]current page.west);
- \node[text width=\textwidth,opacity=.15,yshift=-5.3cm] at (current page.center) {%
-\begin{verbatim}
- \begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[6]OH)-CH_3}
- }
- \arrow[a.20]{}{}
- \reactant[20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}
- \chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}
- {10:4mm}{e2}{-10:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]
- *6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3}
- }
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}
- {170:4mm}{e4}{-170:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-
- \chembelow{C}{\oplus}(-[2]CH_3)-CH_3}
- }
- \end{rxn}
-\end{verbatim}%
-};
- \end{tikzpicture}
- \begin{center}
- \scalebox{4}{\mC}\par
- \Large v\mCversion\par\bigskip
- \footnotesize\mCdate{en}\par
- \normalsize Clemens Niederberger\par\vskip1.5cm
- \scalebox{3}{\color{white}Examples}%
- \end{center}
- \vskip3cm
-\begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} }
- \arrow[a.20]{}{}
- \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} }
-\end{rxn}
-\end{titlepage}
+\usepackage{chemnum}
+\usepackage{fnpct}
+\usepackage{booktabs}
+\usepackage{siunitx}
+\usepackage{scrhack}
-\begin{abstract}
- Since the documentation is already long enough, I decided to provide an extra file containing only examples and a few words where to find possibly interesting code.
-\end{abstract}
+\TitlePicture{%
+ \parbox{.7\linewidth}{%
+ Since the documentation is already long enough I decided to provide an
+ extra file containing only examples and a few words where to find possibly
+ interesting code.\par
+ For all the undocumented little macros like \cmd{fscrp} or \cmd{delm} have
+ a look in the \paket*{chemmacros} documentation.
+ }
+}
-\listof{rxnfloat}{Example Schemes}
+\begin{document}
\section{Addition Reaction}\label{sec:addition}
A simple reaction scheme with two different products.
-\begin{rxnscheme}[,H]{Addition Reaction}
+
+\begin{rxnscheme}{Addition Reaction}
\reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} }
\arrow{ $+ \Hpl$ }{}
\mesomeric[,rf]{
- \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\oplus)-[::-60]} }
+ \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\fplus)-[::-60]} }
\marrow[below]
- \reactant[below]{ \chemfig{\oplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} }
+ \reactant[below]{ \chemfig{\fplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} }
}
\branch[right=of rf,,yshift=3em]{
\arrow{}{}
@@ -223,14 +115,15 @@ A simple reaction scheme with two different products.
}
\end{rxnscheme}
-\begin{lstlisting}
- \begin{rxnscheme}[,H]{Addition Reaction}
+
+\begin{beispiel}[code only]
+ \begin{rxnscheme}[,]{Addition Reaction}
\reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} }
\arrow{ $+ \Hpl$ }{}
\mesomeric[,rf]{
- \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\oplus)-[::-60]} }
+ \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\fplus)-[::-60]} }
\marrow[below]
- \reactant[below]{ \chemfig{\oplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} }
+ \reactant[below]{ \chemfig{\fplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} }
}
\branch[right=of rf,,yshift=3em]{
\arrow{}{}
@@ -241,57 +134,60 @@ A simple reaction scheme with two different products.
\reactant{ \chemname{\chemfig{R-[6]-[:-30]=_[::60](-[::60]OH)-[::-60]}}{1,4-adduct} }
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Mesomerism}
-\begin{rxnscheme}[,H,,.8]{Mesomerism}
+\begin{rxnscheme}[,,,.8]{Mesomerism}
\setatomsep{1.6em}
- \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \compound{benzene}} }
+ \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \cmpd{benzene}} }
\arrow[,,2.8]{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
- \arrow[start.below,,,pfeil_a]{\ce{Br2 / AlBr3}}{$-\ce{AlBr4\om}$}
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
+ \arrow[start.below,,,pfeil_a]{\ch{Br2} / \ch{AlBr3}}{$-\ch{AlBr4-}$}
\mesomeric[pfeil_a.below,mesomerism,xshift=8.5em,yshift=-2.5em]{
\reactant{
- \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
+ \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\fplus)-[@{e2}])}
\elmove{e1}{60:4mm}{e2}{0:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)}
+ \chemfig{*6(-(-[:90,.4,,,white]\fplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)}
\elmove{e3}{180:4mm}{e4}{150:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]Br)(-[:60]H)-=)}
+ \chemfig{*6(-=-(-[:-150,.4,,,white]\fplus)-(-[:120]Br)(-[:60]H)-=)}
}
}
\branch[above=of mesomerism,,xshift=7.5em]{
\arrow[above]{$-\Hpl$}{}
}
\end{rxnscheme}
-If you put something relative to an arrow you might have to consider, that the arrow's anchor point is in the middle of the arrow. That's why \lstinline+\mesomeric+ is shifted with \lstinline+yshift=-2.5em+ in line 9.
-\begin{lstlisting}
- \begin{rxnscheme}[,H,,.8]{Mesomerism}
+
+If you put something relative to an arrow you might have to consider that the
+arrow's anchor point is in the middle of the arrow. That's why \cmd{mesomeric}
+is shifted with \code{yshift=-2.5em} in line 9.
+\begin{beispiel}[code only]
+ \begin{rxnscheme}[,,,.8]{Mesomerism}
\setatomsep{1.6em}
% main reaction:
- \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \compound{benzene}} }
+ \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \cmpd{benzene}} }
\arrow[,,2.8]{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
% branch:
- \arrow[start.below,,,pfeil_a]{\ce{Br2 / AlBr3}}{$-\ce{AlBr4\om}$}
+ \arrow[start.below,,,pfeil_a]{\ch{Br2} / \ch{AlBr3}}{$-\ch{AlBr4-}$}
\mesomeric[!!pfeil_a.below!!,mesomerism,xshift=8.5em,!!yshift=-2.5em!!]{
\reactant{
- \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
+ \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\fplus)-[@{e2}])}
\elmove{e1}{60:4mm}{e2}{0:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)}
+ \chemfig{*6(-(-[:90,.4,,,white]\fplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)}
\elmove{e3}{180:4mm}{e4}{150:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]Br)(-[:60]H)-=)}
+ \chemfig{*6(-=-(-[:-150,.4,,,white]\fplus)-(-[:120]Br)(-[:60]H)-=)}
}
}
% last arrow inside a branch, since it cannot be shifted by itself:
@@ -299,84 +195,87 @@ If you put something relative to an arrow you might have to consider, that the a
\arrow[above]{$-\Hpl$}{}
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
-\section{The Titlepage}
+\section{The Former Titlepage}
+This scheme used to be on the title page of the examples file. It isn't any more
+but here's the scheme, anyway.
\begin{rxnscheme}[,,,.7]{The Titlepage}
\setatomsep{1.5em}\footnotesize
\reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} }
\arrow[a.20]{}{}
- \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
+ \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\fplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
+ \arrow[,,1.42]{$-\ch{H2O}$}{}
+ \reactant{ \chemfig{\chembelow{C}{\fplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
\arrow[a.-20,-|>]{}{}
- \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant[,end]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} }
+ \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\fplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
+ \arrow[,,1.42]{$-\ch{H2O}$}{}
+ \reactant[,end]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\fplus}(-[2]CH_3)-CH_3} }
\anywhere{below=of end}{}
\end{rxnscheme}
-\begin{lstlisting}
+\begin{beispiel}[code only]
\begin{rxn}[,.7]
\setatomsep{1.5em}\footnotesize
% reaction above:
\reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} }
\arrow[a.45]{}{}
- \reactant[45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
+ \reactant[45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\fplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
+ \arrow[,,1.42]{$-\ch{H2O}$}{}
+ \reactant{ \chemfig{\chembelow{C}{\fplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
% going down:
\arrow[a.-45,-|>]{}{}
- \reactant[-45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} }
+ \reactant[-45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\fplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
+ \arrow[,,1.42]{$-\ch{H2O}$}{}
+ \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\fplus}(-[2]CH_3)-CH_3} }
\end{rxn}
-\end{lstlisting}
+\end{beispiel}
\section{Condensation Reaction}
-\begin{rxnscheme}[,H]{Condensation Reaction}
+\begin{rxnscheme}{Condensation Reaction}
\reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}}
\chemand
\reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}}
- \arrow[,-+>]{}{\ce{H2O}}
+ \arrow[,-+>]{}{\ch{H2O}}
\reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}}
- \arrow[-90,-+>,,dec]{}{\ce{CH2O}}
+ \arrow[-90,-+>,,dec]{}{\ch{CH2O}}
\anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}}
\reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}}
\branch[left=of target]{
\reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}}
\chemand
\reactant{\chemfig{**6(----(-OH)-(-H)-)}}
- \arrow[,-+>]{}{\ce{H2O}}
+ \arrow[,-+>]{}{\ch{H2O}}
}
\end{rxnscheme}
-\begin{lstlisting}
- \begin{rxnscheme}[,H]{Condensation Reaction}
+
+\begin{beispiel}[code only]
+ \begin{rxnscheme}{Condensation Reaction}
\reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}}
\chemand
\reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}}
- \arrow[,-+>]{}{\ce{H2O}}
+ \arrow[,-+>]{}{\ch{H2O}}
\reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}}
- \arrow[-90,-+>,,dec]{}{\ce{CH2O}}
+ \arrow[-90,-+>,,dec]{}{\ch{CH2O}}
\anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}}
\reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}}
\branch[left=of target]{
\reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}}
\chemand
\reactant{\chemfig{**6(----(-OH)-(-H)-)}}
- \arrow[,-+>]{}{\ce{H2O}}
+ \arrow[,-+>]{}{\ch{H2O}}
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Substitution vs. Elimination}
-\begin{rxnscheme}[,H]{Substitution vs. Elimination}
+\begin{rxnscheme}{Substitution vs. Elimination}
% first reaction:
\reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}}
\arrow{E2}{}
\reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}}
\chemand
- \reactant{\ce{X\om}}
+ \reactant{\ch{X-}}
\chemand
\reactant{\chemfig{O(-[:60]H)-[:-60]H}}
% second reaction:
@@ -384,9 +283,9 @@ If you put something relative to an arrow you might have to consider, that the a
\arrow{S$_\text{N}$2}{}
\reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}}
\chemand
- \reactant{\ce{X\om}}
+ \reactant{\ch{X-}}
% nucleophile/base:
- \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\scrom}}}
+ \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\fscrm}}}
% electron movements:
\anywhere{nuc.0}{
\elmove{O}{90:1.5cm}{H}{180:1cm}
@@ -396,26 +295,28 @@ If you put something relative to an arrow you might have to consider, that the a
\elmove{b4}{-170:5mm}{X2}{180:5mm}
}
\end{rxnscheme}
-You may see in line 20 that the \lstinline+\elmove+ commands are put inside of \lstinline+\anywhere+. This is necessary in order to produce the right scheme. But this time you can position \lstinline+\anywhere+ literally anywhere.
-\begin{lstlisting}
- \newcommand*\scrom{\scriptstyle\ominus}
- \begin{rxnscheme}[,H]{Substitution vs. Elimination}
+
+You may see in line 20 that the \cmd{elmove} commands are put inside of
+\cmd{anywhere}. This is necessary in order to produce the right scheme. But this
+time you can position \cmd{anywhere} literally anywhere.
+\begin{beispiel}[code only]
+ \begin{rxnscheme}{Substitution vs. Elimination}
% first reaction:
\reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}}
- \arrow{E2}{}
+ \arrow{\mech[e2}{}
\reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}}
\chemand
- \reactant{\ce{X\om}}
+ \reactant{\ch{X-}}
\chemand
\reactant{\chemfig{O(-[:60]H)-[:-60]H}}
% second reaction:
\reactant[start_a.-90,start_b,yshift=-4em]{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-@{C}C(<[:20]H)(<:[:60]H)-[@{b4}:-60]@{X2}X}}
- \arrow{S$_\text{N}$2}{}
+ \arrow{\mech[2]}{}
\reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}}
\chemand
- \reactant{\ce{X\om}}
+ \reactant{\ch{X-}}
% nucleophile/base:
- \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\scrom}}}
+ \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\fscrm}}}
% electron movements:
\anywhere{nuc.0}{
\elmove{O}{90:1.5cm}{H}{180:1cm}
@@ -425,7 +326,7 @@ You may see in line 20 that the \lstinline+\elmove+ commands are put inside of \
\elmove{b4}{-170:5mm}{X2}{180:5mm}
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Scheme with three Lines}\label{sec:three_lines}
\begin{rxnscheme}{Scheme with three Lines}
@@ -433,47 +334,45 @@ You may see in line 20 that the \lstinline+\elmove+ commands are put inside of \
\footnotesize
\reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}}
\chemand
- \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\scrom}(-[4,.7,,,draw=none]\chemabove{K}{\scrop})-(=O)--)=)}}
+ \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\fscrm}(-[4,.7,,,draw=none]\chemabove{K}{\fscrp})-(=O)--)=)}}
\arrow{}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}}
% newline, started with \anywhere:
\anywhere{start.-90,a,xshift=-4em,yshift=-5em}{}
- \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\scrom}}{}
- \arrow{\ce{R-X}}{}
+ \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\fscrm}}{}
+ \arrow{\ch{R-X}}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}}
- \arrow[,,1.25]{\Hpl/\ce{H2O}}{}
+ \arrow[,,1.25]{\Hpl/\ch{H2O}}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}}
% newline, started with \anywhere:
\anywhere{a.-90,b,yshift=-7em}{}
- \arrow[b.0]{\ce{- CO2}}{}
- \arrow{\Hpl}{\ce{H2O}}
- \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\om)-NH_3\op}}
+ \arrow[b.0]{$- {\ch{CO2}}$}{}
+ \arrow{\Hpl}{\ch{H2O}}
+ \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\mch)-NH_3\pch}}
\end{rxnscheme}
-\begin{lstlisting}
- \newcommand*\scrom{\scriptstyle\ominus}
- \newcommand*\scrop{\scriptstyle\oplus}
+\begin{beispiel}[code only]
\begin{rxnscheme}{Scheme with three Lines}
\setatomsep{1.5em}
\footnotesize
\reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}}
\chemand
- \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\scrom}(-[4,.7,,,draw=none]\chemabove{K}{\scrop})-(=O)--)=)}}
+ \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\fscrm}(-[4,.7,,,draw=none]\chemabove{K}{\fscrp})-(=O)--)=)}}
\arrow{}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}}
% newline, started with \anywhere:
\anywhere{start.-90,a,xshift=-4em,yshift=-5em}{}
- \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\scrom}}{}
- \arrow{\ce{R-X}}{}
+ \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\fscrm}}{}
+ \arrow{\ch{R-X}}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}}
- \arrow[,,1.25]{\Hpl/\ce{H2O}}{}
+ \arrow[,,1.25]{\Hpl/\ch{H2O}}{}
\reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}}
% newline, started with \anywhere:
\anywhere{a.-90,b,yshift=-7em}{}
- \arrow[b.0]{\ce{- CO2}}{}
- \arrow{\Hpl}{\ce{H2O}}
- \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\om)-NH_3\op}}
+ \arrow[b.0]{$- {\ch{CO2}}$}{}
+ \arrow{\Hpl}{\ch{H2O}}
+ \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\mch)-NH_3\pch}}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Hydratisation}\label{sec:hydratisation}
@@ -490,9 +389,7 @@ You may see in line 20 that the \lstinline+\elmove+ commands are put inside of \
}%
\tikzset{lddbond/.style={decorate,decoration=ddbond}}%
\tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}%
-\newcommand*\delm{\ensuremath{\text{\tiny$\delta\ominus$}}}%
-\newcommand*\delp{\ensuremath{\text{\tiny$\delta\oplus$}}}%
-A scheme with transition\index{transition} states.
+A scheme with transition states.
\begin{rxnscheme}{Hydratisation}
\reactant[,carbonyl_A]{\chemfig{R_2C=O}}
@@ -501,11 +398,11 @@ A scheme with transition\index{transition} states.
\transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}}
\anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)}
\arrow[,<=>,.7]{}{}
- \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\scriptstyle\oplus}H_2)-[:-60]OH}}
+ \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\fscrp}H_2)-[:-60]OH}}
\arrow[below right,<=>,.7]{$-\Hpl$}{}
\reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}}
- \arrow[below left,<=>,.7]{}{\ce{H2O}}
- \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\om}}
+ \arrow[below left,<=>,.7]{}{\ch{H2O}}
+ \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\mch}}
\arrow[left,<=>,.7]{}{}
\transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}}
\anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)}
@@ -515,7 +412,7 @@ A scheme with transition\index{transition} states.
\end{rxnscheme}
For this example we first declare a style for the delocalized double bonds:
-\begin{lstlisting}
+\begin{beispiel}[code only]
\pgfdeclaredecoration{ddbond}{initial}{%
\state{initial}[width=2pt]{%
\pgfpathlineto{\pgfpoint{2pt}{0pt}}%
@@ -529,21 +426,16 @@ For this example we first declare a style for the delocalized double bonds:
}%
\tikzset{lddbond/.style={decorate,decoration=ddbond}}%
\tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}%
-\end{lstlisting}
-Now the delocalized double bond can be used via \CF's fifth option (see the \CF manual):
-\begin{lstlisting}
+\end{beispiel}
+Now the delocalized double bond can be used via \paket*{chemfig}'s fifth option
+(see the \paket{chemfig} manual):
+\begin{beispiel}[code only]
\chemfig{-[,,,,lddbond]-[,,,,rddbond]}
-\end{lstlisting}
+\end{beispiel}
\chemfig{-[,,,,lddbond]-[,,,,rddbond]}\par\medskip
-Further we define the two commands
-\begin{lstlisting}
- \newcommand*\delm{\ensuremath{\text{\tiny$\delta\ominus$}}}%
- \newcommand*\delp{\ensuremath{\text{\tiny$\delta\oplus$}}}%
-\end{lstlisting}
-to use the partial charges without effort.
Then the whole code looks like follows:
-\begin{lstlisting}
+\begin{beispiel}[code only]
\begin{rxnscheme}{Hydratisation}
\reactant[,carbonyl_A]{\chemfig{R_2C=O}}
\anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}}
@@ -551,11 +443,11 @@ Then the whole code looks like follows:
\transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}}
\anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)}
\arrow[,<=>,.7]{}{}
- \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\scriptstyle\oplus}H_2)-[:-60]OH}}
+ \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\fscrp}H_2)-[:-60]OH}}
\arrow[below right,<=>,.7]{$-\Hpl$}{}
\reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}}
- \arrow[below left,<=>,.7]{}{\ce{H2O}}
- \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\om}}
+ \arrow[below left,<=>,.7]{}{\ch{H2O}}
+ \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\mch}}
\arrow[left,<=>,.7]{}{}
\transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}}
\anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)}
@@ -563,50 +455,52 @@ Then the whole code looks like follows:
\reactant[left,carbonyl_B]{\chemfig{R_2C=O}}
\anywhere{above=of carbonyl_B}{\chemfig{H-[:-30]O-[:30]H}}
\end{rxnscheme}
-\end{lstlisting}
-You can see that \lstinline+\anywhere+ was used several times, either to place molecules or to label molecules.
+\end{beispiel}
+You can see that \cmd{anywhere} was used several times, either to place molecules
+or to label molecules.
\section{Esterification}\label{sec:veresterung}
-\begin{rxnscheme}[,H]{Esterification}
+\begin{rxnscheme}{Esterification}
\reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}}
- \arrow[,-+>,1.5,protolysis]{\ce{H2SO4}}{\ce{HSO4\om}}
+ \arrow[,-+>,1.5,protolysis]{\ch{H2SO4}}{\ch{HSO4-}}
\anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis}
\mesomeric{
- \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-H}}
+ \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\fscrp})-[:-60]O-H}}
\marrow
- \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-H}}
+ \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-H}}
}
\branch[below,,xshift=-5em]{
\arrow[below,<=>]{\chemfig{H-[:120]@{a1}O-[:60]CH_3}}{\tiny addition}
- \reactant[below]{\chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\scriptstyle\oplus}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}\elmove{a1}{90:1.5cm}{a2}{0:3cm}}
+ \reactant[below]{\chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\fscrp}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}\elmove{a1}{90:1.5cm}{a2}{0:3cm}}
}
\branch[left,,yshift=-3.5em]{
\arrow[left,<=>]{}{\tiny protolysis}
}
- \reactant[left]{\chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\scriptstyle\oplus}(-[:-150]H)-[:-30]H}\elmove{b1}{0:5mm}{a3}{20:5mm}}
- \arrow[below,<=>]{\ce{- H2O}}{\tiny elimination}
+ \reactant[left]{\chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\fscrp}(-[:-150]H)-[:-30]H}\elmove{b1}{0:5mm}{a3}{20:5mm}}
+ \arrow[below,<=>]{$- {\ch{H2O}}$}{\tiny elimination}
\mesomeric[below,,xshift=6em]{
- \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-CH_3}}
+ \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\fscrp})-[:-60]O-CH_3}}
\marrow
- \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-CH_3}}
+ \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-CH_3}}
}
- \arrow[,-+>,1.5]{\ce{HSO4\om}}{\ce{H2SO4}}
+ \arrow[,-+>,1.5]{\ch{HSO4-}}{\ch{H2SO4}}
\reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}}
\end{rxnscheme}
-\begin{lstlisting}
+
+\begin{beispiel}[code only]
\begin{rxn}{Esterification}
\reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}}
- \arrow[,-+>,1.2,protolysis]{\ce{H2SO4}}{\ce{HSO4\om}}
+ \arrow[,-+>,1.2,protolysis]{\ch{H2SO4}}{\ch{HSO4-}}
\anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis}
\mesomeric{
- \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-H}}
+ \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\fscrp})-[:-60]O-H}}
\marrow
- \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-H}}
+ \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-H}}
}
\branch[below,,xshift=-5em]{
\arrow[below,<=>]{\tiny addition}{\chemfig{H-[:120]@{a1}O-[:60]CH_3}}
\reactant[below]{
- \chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\scriptstyle\oplus}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}
+ \chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\fscrp}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}
\elmove{a1}{90:1.5cm}{a2}{0:3cm}
}
}
@@ -614,24 +508,23 @@ You can see that \lstinline+\anywhere+ was used several times, either to place m
\arrow[left,<=>]{}{\tiny protolysis}
}
\reactant[left]{
- \chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\scriptstyle\oplus}(-[:-150]H)-[:-30]H}
+ \chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\fscrp}(-[:-150]H)-[:-30]H}
\elmove{b1}{0:5mm}{a3}{20:5mm}
}
- \arrow[below,<=>]{\ce{- H2O}}{\tiny elimination}
+ \arrow[below,<=>]{$- {\ch{H2O}}$}{\tiny elimination}
\mesomeric[below,,xshift=6em]{
- \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-CH_3}}
+ \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\fscrp})-[:-60]O-CH_3}}
\marrow
- \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-CH_3}}
+ \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-CH_3}}
}
- \arrow[,-+>,1.2]{\ce{HSO4\om}}{\ce{H2SO4}}
+ \arrow[,-+>,1.2]{\ch{HSO4-}}{\ch{H2SO4}}
\reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}}
\end{rxnscheme}
-\end{lstlisting}
-\newpage
+\end{beispiel}
\section{Electrophilic Addition}\label{sec:elektrophile_addition}
This scheme forms a circle.
-\begin{rxnscheme}[,H]{Electrophilic Addition}
+\begin{rxnscheme}{Electrophilic Addition}
\setarrowlength{3em}
\reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}}
\chemand[,plus]
@@ -644,22 +537,22 @@ This scheme forms a circle.
\elmove{b2}{-120:5mm}{Br2}{-120:5mm}
}
% to the left:
- \arrow[attack.-135,<=>,2]{\ce{- Br\om}}{\footnotesize slow}
- \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\scriptstyle\oplus}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}}
+ \arrow[attack.-135,<=>,2]{$- {\ch{Br-}}$}{\footnotesize slow}
+ \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\fscrp}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}}
\anywhere{below=of carbenium_a}{\footnotesize carbenium ion}
\arrow[,<<=>]{}{}
- \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\scriptstyle\oplus}}}
+ \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\fscrp}}}
\anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion}
% to the right:
- \arrow[attack.-45,<=>,2]{\footnotesize slow}{\ce{- Br\om}}
- \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\scriptstyle\oplus}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}}
+ \arrow[attack.-45,<=>,2]{\footnotesize slow}{$- {\ch{Br-}}$}
+ \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\fscrp}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}}
\anywhere{below=of carbenium_b}{\footnotesize carbenium ion}
\arrow[left,<<=>]{}{}
\mCsetup{reset}
\end{rxnscheme}
-\begin{lstlisting}
- \begin{rxnscheme}[,H]{Electrophilic Addition}
+\begin{beispiel}[code only]
+ \begin{rxnscheme}{Electrophilic Addition}
\setarrowlength{3em}
\reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}}
\chemand[,plus]
@@ -672,41 +565,41 @@ This scheme forms a circle.
\elmove{b2}{-120:5mm}{Br2}{-120:5mm}
}
% to the left:
- \arrow[attack.-135,<=>,2]{\ce{- Br\om}}{\footnotesize slow}
- \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\scriptstyle\oplus}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}}
+ \arrow[attack.-135,<=>,2]{$- {\ch{Br-}}$}{\footnotesize slow}
+ \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\fscrp}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}}
\anywhere{below=of carbenium_a}{\footnotesize carbenium ion}
\arrow[,<<=>]{}{}
- \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\scriptstyle\oplus}}}
+ \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\fscrp}}}
\anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion}
% to the right:
- \arrow[attack.-45,<=>,2]{\footnotesize slow}{\ce{- Br\om}}
- \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\scriptstyle\oplus}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}}
+ \arrow[attack.-45,<=>,2]{\footnotesize slow}{$- {\ch{Br-}}$}
+ \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\fscrp}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}}
\anywhere{below=of carbenium_b}{\footnotesize carbenium ion}
\arrow[left,<<=>]{}{}
\mCsetup{reset}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Activation of Fatty Acids}\label{sec:activation_fatty_acid}
-\begin{rxnscheme}[,H]{Activation of Fatty Acids}
- \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}}
+\begin{rxnscheme}{Activation of Fatty Acids}
+ \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}}
\anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP}
\arrow[below,,1.5]{}{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}}
\branch[on chain=going below]{
\reactant[,pyrophosphat]{
- \chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-\chemabove{O}{\hspace*{5mm}\scrom}}
+ \chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-\chemabove{O}{\hspace*{5mm}\fscrm}}
\elmove{b1}{100:1cm}{O1}{90:5mm}
\elmove{O2}{135:1cm}{P}{-135:1cm}
\elmove{b2}{-90:5mm}{O2}{-60:5mm}
}
\anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$}
\chemand
- \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\scrom})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]a|denine}}
+ \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\fscrm})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]a|denine}}
\anywhere{below=of acyl-amp}{\bfseries acyl-AMP}
}
\branch[on chain=going below,,xshift=-8em]{
- \arrow[below]{\ce{H2O}}{}
- \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O}}
+ \arrow[below]{\ch{H2O}}{}
+ \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O}}
\anywhere{below right=of Pi}{P$_\text{i}$}
}
\branch[,,xshift=4em]{
@@ -721,27 +614,26 @@ This scheme forms a circle.
}
\end{rxnscheme}
-\begin{lstlisting}
- \def\scrom{\scriptstyle\ominus}
- \begin{rxnscheme}[,H]{Activation of Fatty Acids}
- \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}}
+\begin{beispiel}[code only]
+ \begin{rxnscheme}{Activation of Fatty Acids}
+ \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}}
\anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP}
\arrow[below,,1.5]{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}}{}
\branch[on chain=going below]{
\reactant[,pyrophosphat]{
- \chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-\chemabove{O}{\hspace*{5mm}\scrom}}
+ \chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-\chemabove{O}{\hspace*{5mm}\fscrm}}
\elmove{b1}{100:1cm}{O1}{90:5mm}
\elmove{O2}{135:1cm}{P}{-135:1cm}
\elmove{b2}{-90:5mm}{O2}{-60:5mm}
}
\anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$}
\chemand
- \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\scrom})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]A|denine}}
+ \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\fscrm})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]A|denine}}
\anywhere{below=of acyl-amp}{\bfseries acyl-AMP}
}
\branch[on chain=going below,,xshift=-8em]{
- \arrow[below]{\ce{H2O}}{}
- \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O}}
+ \arrow[below]{\ch{H2O}}{}
+ \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O}}
\anywhere{below right=of Pi}{P$_\text{i}$}
}
\branch[,,xshift=4em]{
@@ -755,7 +647,7 @@ This scheme forms a circle.
\anywhere{below=of acyl-SCoA}{acyl-SCoA}
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Change the layout with \TikZ}\label{sec:tikz_layout}
\begin{rxnscheme}{Change the layout with \TikZ}
@@ -765,11 +657,11 @@ This scheme forms a circle.
\tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}}
\mCsetup{arrowlength=3em,arrowline=very thick}
\reactant[,,reactant=mCgreen]{
- \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine}
+ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine}
}
- \arrow[below]{\textit{N}-acyltransferase}{}
+ \arrow[below]{\iupac{\N\-acyl\|transferase}}{}
\reactant[below,,reactant=mCblue]{
- \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries\textit{N}-arachidonoyl-PE}
+ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries\iupac{\N\-arachidonoyl\-PE}}
}
\arrow[below]{Phospholipase D}{}
\reactant[below,,reactant=mCred]{
@@ -777,8 +669,10 @@ This scheme forms a circle.
}
\mCsetup{reset}
\end{rxnscheme}
-This is an example for the usage of the \lstinline+<tikz>+ option. Please take a closer look at lines \numlist{5;7;11;15}.
-\begin{lstlisting}
+
+This is an example for the usage of the \code{<tikz>} option. Please take a closer
+look at lines \numlist{5;7;11;15}.
+\begin{beispiel}[code only]
\begin{rxnscheme}{Change the layout with \TikZ}
\colorlet{mCgreen}{green!50!gray}
\colorlet{mCblue}{cyan!50!gray}
@@ -786,11 +680,11 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
!!\tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}}!!
\mCsetup{arrowlength=3em,arrowline=very thick}
\reactant[,,!!reactant=mCgreen!!]{
- \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine}
+ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine}
}
- \arrow[below]{}{\textit{N}-acyltransferase}
+ \arrow[below]{}{\iupac{\N-acyl\|transferase}}
\reactant[below,,!!reactant=mCblue!!]{
- \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries\textit{N}-arachidonoyl-PE}
+ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries\iupac{\N\-arachidonoyl\-PE}}
}
\arrow[below]{}{Phospholipase D}
\reactant[below,,!!reactant=mCred!!]{
@@ -798,7 +692,7 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
}
\mCsetup{reset}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Claisen-Kondensation}
\begin{rxnscheme}{Claisen-Kondensation}
@@ -809,37 +703,37 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}}
\chemand
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}}
- \arrow[,,2]{\ce{NaOEt}, \ce{EtOH}}{}
+ \arrow[,,2]{\ch{NaOEt}, \ch{EtOH}}{}
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}}
}
% Mechanismus:
\branch[-90,,xshift=-13.5em]{
- \arrow[-90,<<=>]{\ce{{}\om OEt}}{}
+ \arrow[-90,<<=>]{\ch{^-OEt}}{}
}
\mesomeric[-90,two,xshift=4.5em]{
- \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\fscrm)-(=[2]O)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]=(-[2]O|\om)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]=(-[2]O|\mch)-[:-30]O--[:-30]}}
}
\chemand
- \reactant{\ce{EtOH}}
+ \reactant{\ch{EtOH}}
\branch[two.-90,three,xshift=-5.5em]{
\arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{}
}
- \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\om)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}}
+ \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\mch)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}}
\arrow[,<=>]{}{}
\reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}}
\chemand
- \reactant{\chemfig{\om @{O4}OEt}}
+ \reactant{\chemfig{\mch @{O4}OEt}}
\arrow[four.-90]{}{}
\mesomeric[-90]{
- \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\om)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\mch)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\fscrm)-(=[2]O)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]-(-[2]O|\om)=[:-30]-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(-[2]O|\mch)=[:-30]-(=[2]O)-[:-30]O--[:-30]}}
}
- \arrow[-90]{\Hpl, \ce{H2O}}{}
+ \arrow[-90]{\Hpl, \ch{H2O}}{}
\reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}}
\anywhere{one.0}{
\elmove{C1}{-100:2cm}{C2}{-90:2cm}
@@ -851,7 +745,7 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
}
\end{rxnscheme}
-\begin{lstlisting}
+\begin{beispiel}[code only]
\begin{rxnscheme}{Claisen-Kondensation}
\colorlet{mCred}{red!50!gray}
\setatomsep{1.5em}
@@ -860,37 +754,37 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}}
\chemand
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}}
- \arrow[,,2]{\ce{NaOEt}, \ce{EtOH}}{}
+ \arrow[,,2]{\ch{NaOEt}, \ch{EtOH}}{}
\reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}}
}
% Mechanismus:
\branch[-90,,xshift=-13.5em]{
- \arrow[-90,<=>]{\ce{{}\om OEt}}{}
+ \arrow[-90,<=>]{\ch{^-OEt}}{}
}
\mesomeric[-90,two,xshift=4.5em]{
- \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\fscrm)-(=[2]O)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]=(-[2]O|\om)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]=(-[2]O|\mch)-[:-30]O--[:-30]}}
}
\chemand
- \reactant{\ce{EtOH}}
+ \reactant{\ch{EtOH}}
\branch[two.-90,three,xshift=-5.5em]{
\arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{}
}
- \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\om)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}}
+ \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\mch)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}}
\arrow[,<=>]{}{}
\reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}}
\chemand
- \reactant{\chemfig{\om @{O4}OEt}}
+ \reactant{\chemfig{\mch @{O4}OEt}}
\arrow[four.-90]{}{}
\mesomeric[-90]{
- \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\om)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\mch)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\fscrm)-(=[2]O)-[:-30]O--[:-30]}}
\marrow
- \reactant{\chemfig{[:30]-(-[2]O|\om)=[:-30]-(=[2]O)-[:-30]O--[:-30]}}
+ \reactant{\chemfig{[:30]-(-[2]O|\mch)=[:-30]-(=[2]O)-[:-30]O--[:-30]}}
}
- \arrow[-90]{\Hpl, \ce{H2O}}{}
+ \arrow[-90]{\Hpl, \ch{H2O}}{}
\reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}}
\anywhere{one.0}{
\elmove{C1}{-100:2cm}{C2}{-90:2cm}
@@ -901,171 +795,70 @@ This is an example for the usage of the \lstinline+<tikz>+ option. Please take a
\elmove{O4}{-90:1cm}{H}{-45:1cm}
}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\section{Extensive Synthesis}\label{sec:tikzsynthese}
-As last example we can create extensive syntheses, using the \lstinline=\merge= command.
+As last example we can create extensive syntheses, using the \cmd{merge} command.
\begin{rxnscheme}[,,,.8]{Extensive Synthesis}
\setatomsep{1.5em}
\branch[,start_left]{
\reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
+ \arrow[below]{\ch{HBr}}{}
\reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
}
\branch[right=of start_left,start_center,yshift=1em]{
\reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}}
- \arrow[below]{\ce{NaOH}}{\ce{Zn}}
+ \arrow[below]{\ch{NaOH}}{\ch{Zn}}
\reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}}
}
\branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{
- \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}}
- \arrow[below]{\ce{CH3OH}}{}
+ \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{\iupac{3\-methyl\-2\-butenoic acid}}}
+ \arrow[below]{\ch{CH3OH}}{}
\reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}}
}
\branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{
\reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}}
}
\branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{
- \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}}
+ \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\fminus)-[::-60]CO_2CH_3}}
\arrow[below,,.5]{}{}
- \arrow[below,,.5]{\ce{KOH}}{}
- \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}}
+ \arrow[below,,.5]{\ch{KOH}}{}
+ \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\iupac{\trans\-chrysanthemum acid}}}
}
\merge{target_one}{start_left}{start_center}
- \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right}
+ \merge[\ch{NaOCH3}]{target_two}{target_one}{start_right}
\end{rxnscheme}
-\begin{lstlisting}
+\begin{beispiel}[code only]
\begin{rxnscheme}[,,,.8]{Extensive Synthesis}
\setatomsep{1.5em}
\branch[,start_left]{
\reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
+ \arrow[below]{\ch{HBr}}{}
\reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
}
\branch[right=of start_left,start_center,yshift=1em]{
\reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}}
- \arrow[below]{\ce{NaOH}}{\ce{Zn}}
+ \arrow[below]{\ch{NaOH}}{\ch{Zn}}
\reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}}
}
\branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{
- \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}}
- \arrow[below]{\ce{CH3OH}}{}
+ \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{\iupac{3\-methyl\-2\-butenoic acid}}}
+ \arrow[below]{\ch{CH3OH}}{}
\reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}}
}
\branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{
\reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}}
}
\branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{
- \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}}
+ \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\fminus)-[::-60]CO_2CH_3}}
\arrow[below,,.5]{}{}
- \arrow[below,,.5]{\ce{KOH}}{}
- \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}}
- }
- \merge{target_one}{start_left}{start_center}
- \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right}
- \end{rxnscheme}
-\end{lstlisting}
-Let's go through the code, piece by piece.
-\begin{lstlisting}
- \begin{rxnscheme}[,,,.8]{Extensive Synthesis}
- \setatomsep{1.5em}
- \branch[,start_left]{
- \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
- \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
- }
-\end{lstlisting}
-In lines \numlist{1;2} we begin the environment and make sure, that the formul\ae\ don't become to big. In lines \numrange{3}{7} the first two reactants are written (lines \numlist{4;6}) and connected with an arrow (line \num{5}).
-\begin{rxn}[,.8]
- \setatomsep{1.5em}
- \branch[,start_left]{
- \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
- \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
- }
-\end{rxn}
-\begin{lstlisting}[firstnumber=8]
- \branch[right=of start_left,start_center,yshift=1em]{
- \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}}
- \arrow[below]{\ce{NaOH}}{\ce{Zn}}
- \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}}
+ \arrow[below,,.5]{\ch{KOH}}{}
+ \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\iupac{\trans\-chrysanthemum acid}}
}
-\end{lstlisting}
-In the following lines \numrange{8}{12}, we create the second branch of the synthesis.
-\begin{rxn}[,.8]
- \setatomsep{1.5em}
- \branch[,start_left]{
- \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
- \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
- }
- \branch[right=of start_left,start_center,yshift=1em]{
- \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}}
- \arrow[below]{\ce{NaOH}}{\ce{Zn}}
- \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}}
- }
-\end{rxn}
-\begin{lstlisting}[firstnumber=13]
- \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{
- \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}}
- \arrow[below]{\ce{CH3OH}}{}
- \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}}
- }
- \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{
- \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}}
- }
-\end{lstlisting}
-In lines \numrange{13}{20} we create the third branch and the product of the first two branches.
-\begin{rxn}[,.8]
- \setatomsep{1.5em}
- \branch[,start_left]{
- \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}}
- \arrow[below]{\ce{HBr}}{}
- \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}}
- }
- \branch[right=of start_left,start_center,yshift=1em]{
- \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}}
- \arrow[below]{\ce{NaOH}}{\ce{Zn}}
- \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}}
- }
- \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{
- \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}}
- \arrow[below]{\ce{CH3OH}}{}
- \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}}
- }
- \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{
- \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}}
- }
-\end{rxn}
-\begin{lstlisting}[firstnumber=21]
- \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{
- \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}}
- \arrow[below,,.5]{}{}
- \arrow[below,,.5]{\ce{KOH}}{}
- \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}}
- }
-\end{lstlisting}
-In lines \numrange{21}{26} we create the last branch.
-\begin{rxn}[,.8]
- \dummy[start_left]
- \branch[right=of start_left,start_right,xshift=13em,yshift=-4em]{
- \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}}
- }
- \branch[below=of start_left,target_one,xshift=5em]{
- \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}}
- }
- \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{
- \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}}
- \arrow[below,,.5]{}{}
- \arrow[below,,.5]{\ce{KOH}}{}
- \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}}
- }
-\end{rxn}
-Finally, the different branches are merged, the second merging arrow gets a label and the environment is ended.
-\begin{lstlisting}[firstnumber=27]
\merge{target_one}{start_left}{start_center}
- \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right}
+ \merge[\ch{NaOCH3}]{target_two}{target_one}{start_right}
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
+
\end{document} \ No newline at end of file
diff --git a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.pdf b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.pdf
deleted file mode 100644
index 76e3bb2c12a..00000000000
--- a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.pdf
+++ /dev/null
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.tex b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.tex
deleted file mode 100644
index 3aa64b7039f..00000000000
--- a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_de.tex
+++ /dev/null
@@ -1,1791 +0,0 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ------------------------------------------------------------------------------------- %
-% - myChemistry - mychemistry_de.tex -------------------------------------------------- %
-% - Create reaction schemes with LaTeX and ChemFig ------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - Clemens Niederberger -------------------------------------------------------------- %
-% - 2011/04/27 ------------------------------------------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - http://www.niederberger-berlin.net/2011/02/latex-mychemistry/ --------------------- %
-% - kontakt@niederberger-berlin.net --------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - If you have any ideas, questions, suggestions or bugs to report, please feel free - %
-% - to contact me. -------------------------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - Copyright 2011 Clemens Niederberger - %
-% - - %
-% - This work may be distributed and/or modified under the - %
-% - conditions of the LaTeX Project Public License, either version 1.3 - %
-% - of this license or (at your option) any later version. - %
-% - The latest version of this license is in - %
-% - http://www.latex-project.org/lppl.txt - %
-% - and version 1.3 or later is part of all distributions of LaTeX - %
-% - version 2005/12/01 or later. - %
-% - - %
-% - This work has the LPPL maintenance status `maintained'. - %
-% - - %
-% - The Current Maintainer of this work is Clemens Niederberger. - %
-% - - %
-% - This work consists of the files mychemistry.sty, mychemistry_de.tex, - %
-% - mychemistry_en.tex, examples.tex - %
-% ------------------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\documentclass[DIV10,titlepage,toc=index]{scrartcl}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Pakete ---------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{etoolbox}
-\usepackage{scrhack} % verbessert KOMAs Zusammenspiel mit floats
-\usepackage{emerald} % Schriftarten
-\usepackage[utf8]{inputenx} % Zeichenkodierung: Eingabe
-\usepackage[T1]{fontenc} % Text-Ausgabe-Codierung
-\usepackage{textcomp,mathcomp}
-\usepackage[makeindex]{splitidx} % Index; Kompilieren: makeindex -sl index.ist *.idx
-\usepackage[ngerman]{babel} % Sprache
-\usepackage{xspace,paralist} % xspace und Listen
-\usepackage{siunitx,booktabs}
- \DeclareSIUnit{\emlength}{em}
- \DeclareSIUnit{\pt}{pt}
- \sisetup{list-final-separator = { und },
- range-phrase = { bis },
- separate-uncertainty = true,
- exponent-product = \cdot,
- per-mode = symbol}
-\usepackage{listings,fancyvrb} % wortwörtliche Anzeige
- \newcommand{\vitem}[1][]{\SaveVerb[aftersave={\item[\textnormal{\UseVerb[#1]{vsave}}]}]{vsave}}
-\usepackage[perpage,multiple]{footmisc} % Fußnoten
-\usepackage[ngerman]{varioref} % flexibles Referenzieren
- \labelformat{section}{Ab\-schnitt #1}
- \labelformat{subsection}{Ab\-schnitt #1}
- \labelformat{subsubsection}{Ab\-schnitt #1}
- \labelformat{table}{Ta\-bel\-le #1}
-\usepackage[dvipsnames]{xcolor} % Farbe
- \colorlet{code}{RawSienna}
- \xdefinecolor{MyDarkRed}{rgb}{0.4392,0.0627,0.0627}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Anzeige des Inhaltsverzeichnisses ------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{titletoc}
-\titlecontents{section} [6.5pc] % SECTION-ANZEIGE
- {\renewcommand\familydefault{ppl}\addvspace{2pc}\bfseries
- \color{MyDarkRed}\titlerule[2pt]\filright\normalcolor\nobreak} % davor
- {\contentslabel
- [\textsc{Abschnitt}\
- \thecontentslabel]{6.5pc}} % nummerierter Eintrag
- {\hspace{-6.5pc}\scshape\thecontentslabel} % unnummerierter Eintrag
- {\hfill\contentspage}
- [\addvspace{3pt}\renewcommand\familydefault{ppl}] % danach
-%%
-\newcommand{\xquad}{\hspace{1em plus.4em minus.4em}}
-\titlecontents*{subsubsection}[6pc] % SUBSUBSECTION-ANZEIGE
- {\footnotesize\itshape}
- {}
- {}
- {,~\thecontentspage}
- [\xquad\textbullet\xquad]
- {}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Hyperlinks ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{hyperref}
- \hypersetup{colorlinks=true, % Setup der Hyperlinks und des pdf
- linkcolor=MyDarkRed!20!red,
- urlcolor=blue!70,
- plainpages=false,
- bookmarksopen=true,
- bookmarksopenlevel=2,
- bookmarksnumbered=true,
- pdfstartview=FitH,
- pdfauthor={Clemens Niederberger},
- pdftitle={myChemistry},
- pdfsubject={Create reaction schemes with LaTeX and ChemFig},
- pdfkeywords={myChemistry},
- pdfcreator={LaTeX}
- }
-\usepackage[color=MyDarkRed]{mychemistry} % myChemistry
- \def\thebeispiel{\arabic{beispiel}} % chemexec angepasst
- \labelformat{beispiel}{Bei\-spiel #1}
- \labelformat{rxnfloat}{Sche\-ma #1}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Listings anpassen ----------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\fvset{numbers=left,numbersep=3pt,xleftmargin=20pt,gobble=0,numberblanklines=true}
-\lstset{literate={ä}{{\"a}}1 {ö}{{\"o}}1 {ü}{{\"u}}1 {Ä}{{\"A}}1 {Ö}{{\"O}}1 {Ü}{{\"U}}1 {ß}{{\ss}}1}
-\lstset{
- language=[LaTeX]TeX,
- basicstyle={\ttfamily}, % Grundstil
- extendedchars=true,
- numbers=left, % Zeilennummern
- numberstyle=\tiny, % Größe des Zeilennummern
- numberblanklines=true, % Leerzeilen nummerieren
- gobble=0, % das erste Leerzeichen abschneiden
- xleftmargin=20pt, % Einrückung links
- breaklines=true, % Zeilenumbruch
- moredelim=[is][\color{red!25!purple}]{!!}{!!},% Hervorhebung
- commentstyle={\color[named]{Gray}},
- emph={begin,end}, % Umgebungen hervorheben
- emphstyle=\color{red},
- keywordstyle=\color{code},
- keywordstyle=[20]\color{blue},
- morekeywords=[20]{rxn,rxnfloat,rxnscheme,tikzpicture},
- texcsstyle=[30]\color{code},
- moretexcs=[30]{anywhere,arrow,branch,chemabove,chemand,chembelow,chemfig,chemmove,chemname,chemrel,chemsign,ce,color,compound,declarecompound,draw,dummy,elmove,floatplacement,floatstyle,Hpl,Hyd,lewis,listof,makeinvisible,makevisible,marrow,mCsetup,merge,mesomeric,node,nu,om,op,ox,pgfpositionnodelater,reactant,restylefloat,setarrowlabel,setarrowlength,setarrowline,setatomsep,setatomsize,setbondlength,setbondshape,setcrambond,setmergelength,setrcndist,setrxnalign,setschemealign,setschemename,si,SI,textcolor,transition,vflipnext},
- fancyvrb=true
- }
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Kopf- und Fußzeile ---------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{scrpage2}
-\pagestyle{scrheadings}
-\setheadwidth{textwithmarginpar}
-\automark{section}
-\ihead{\mC v\mCversion}
-\ohead{\bfseries Dokumentation}
-\ifoot{\small\color{gray}-~Seite~\thepage~-}
-\cfoot{}
-\ofoot{}
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Komascript ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\setkomafont{disposition}{\rmfamily\bfseries} % Gewicht fett und Schriftart roman
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - neue Befehle ---------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Hyperlinks in Listings ------------------------------------------------------------ %
-% - auf Basis von Code usenet: comp.text.tex ------------------------------------------ %
-\makeatletter
-\AtBeginEnvironment{VerbatimOut}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginEnvironment{Verbatim}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginEnvironment{SideBySideExample}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginDocument{\preto\FV@VerbatimBegin{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}}
-\AtBeginDocument{\preto\FV@VerbatimBegin{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}}
-\providerobustcmd*\ifrefundefined [1]{%
- \begingroup%
- \csname @safe@activestrue\endcsname%
- \expandafter\endgroup\csname @\ifcsname r@#1\endcsname second\else first\fi oftwo\endcsname
-}% \ifrefundefined
-\def\lsthk@OutputBox@H@@k{%
- \begingroup%
- \let\lst@UM\@empty%
- \edef\@tempc{ssec:\detokenize\expandafter{\the\lst@token }}%\edef
- \ifrefundefined{\@tempc}%
- \endgroup%
- \sethyperlistings%
-}% \lsthk@OutputBox@fcltxH@@k
-\def\sethyperlistings {\global\let \hyperlistingsreference =\@tempc
- \endgroup \aftergroup \dohyperlistings }% after \hbox
-\def\dohyperlistings {\def\lst@alloverstyle ##1{\hyperlistings ##1}}
-\def\hyperlistings{%
- \setbox\@tempboxa\hbox%
- \bgroup%
- \rlap{\hypersetup {linkcolor=.}\relax\fboxrule\z@%
- \hyperref[\hyperlistingsreference]{\boxframe{\wd\@tempboxa}{\ht\@tempboxa}{\dp\@tempboxa}}}%
- \unhbox\@tempboxa%
- \egroup%
-}% \hyperlistings
-\let\lsthk@OutputBox\lsthk@OutputBox@H@@k
-% - Beispiele ------------------------------------------------------------------------- %
-% - auf Basis der Beispiele in der fancyvrb-Dokumentation ----------------------------- %
-\newcommand{\BeginExample}{%
- \VerbatimEnvironment
- \begin{VerbatimOut}[gobble=1]{\jobname.tmp}}
-
- \newcommand{\BelowExample}[1]{%
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-#1}
-% - Code, Ergebnis rechts ------------------------------------------------------------- %
-\newcommand{\SideBySide@Example}[1]{%
-\setlength{\parindent}{0pt}%
-\begin{minipage}[c]{.48\textwidth}
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-\end{minipage}%
-\hspace*{2mm}
-\begin{minipage}[c]{.48\textwidth}
- #1
-\end{minipage}
-}
-
-\def\SideBySideExample{%
- \catcode`\^^M=\active
- \@ifnextchar[{\catcode`\^^M=5\beispiel\vspace*{1mm}\SideBySideExample@}%
- {\catcode`\^^M=5\beispiel\vspace*{1mm}\SideBySideExample@@}}
-\def\SideBySideExample@[#1]{#1\SideBySideExample@@}
-\def\SideBySideExample@@{\BeginExample}
-\def\endSideBySideExample{%
- \end{VerbatimOut}%
- \SideBySide@Example{\input{\jobname.tmp}}\vspace*{1mm}\endbeispiel}
-% - Code, Ergebnis danach ------------------------------------------------------------- %
-\newcommand{\@Example}[1]{%
-\setlength{\parindent}{0pt}%
-\begin{minipage}{\textwidth}
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-\end{minipage}%
-
-\smallskip
-\begin{minipage}{\textwidth}
- #1
-\end{minipage}
-}
-
-\def\Example{%
- \catcode`\^^M=\active
- \@ifnextchar[{\catcode`\^^M=5\beispiel\vspace*{1mm}\Example@}%
- {\catcode`\^^M=5\beispiel\vspace*{1mm}\Example@@}}
-\def\Example@[#1]{#1\Example@@}
-\def\Example@@{\BeginExample}
-\def\endExample{%
- \end{VerbatimOut}%
- \@Example{\input{\jobname.tmp}}\vspace*{1mm}\endbeispiel}
-\makeatother
-
-% - weitere Makros -------------------------------------------------------------------- %
-\newcommand{\mC}{{\color{MyDarkRed}\ECFJD my\-Chemis\-try}\xspace} % Paketname
-\newcommand{\CF}{{\ECFAugie ChemFig}\xspace} % ChemFig in der originalen Schrift
-\newcommand{\zB}{\mbox{z.\,B.}\xspace}
-\newcommand{\TikZ}{\mbox{Ti{\bfseries\itshape k}Z}\xspace}
-% folgender Befehl ist eine Kopie von CHristian Tellecheas
-\newcommand\NEU[1][0pt]{\leavevmode\llap{\footnotesize\ECFTeenSpirit\color{red}Neu\kern\dimexpr20pt+#1\relax}}
-\newlength{\tmplength}
-% - für Beispiele --------------------------------------------------------------------- %
-\newcommand{\oben}{\tikz\node[draw,minimum width=3em,minimum height=1.5em,blue]{\footnotesize oben};}
-\newcommand{\unten}{\tikz\node[draw,minimum width=3em,minimum height=1.5em,red]{\footnotesize unten};}
-\newcommand{\substanz}{\tikz\node[draw,minimum width=5em,minimum height=3em]{};}
-
-\begin{document}
-\begin{titlepage}
- % inspired by the titlepage of chemfig's documentation
- \begin{tikzpicture}[remember picture,overlay]
- \shade[color=MyDarkRed,right color=white](current page.south west) rectangle ([yshift=3cm,xshift=-3cm]current page.center);
- \shade[top color=black,bottom color=MyDarkRed]([yshift=7cm]current page.east)rectangle([yshift=2.5cm]current page.west);
- \node[text width=\textwidth,opacity=.15,yshift=-5.3cm] at (current page.center) {%
-\begin{verbatim}
- \begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[6]OH)-CH_3}
- }
- \arrow[a.20]{}{}
- \reactant[20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}
- \chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}
- {10:4mm}{e2}{-10:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]
- *6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3}
- }
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}
- {170:4mm}{e4}{-170:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-
- \chembelow{C}{\oplus}(-[2]CH_3)-CH_3}
- }
- \end{rxn}
-\end{verbatim}%
-};
- \end{tikzpicture}
- \begin{center}
- \scalebox{4}{\mC}\par
- \Large v\mCversion\par\bigskip
- \footnotesize\mCdate{de}\par
- \normalsize Clemens Niederberger\par\vskip1.5cm
- \color{white}\huge Reaktionsschemata mit \LaTeX\ und \CF erstellen%
- \end{center}
- \vskip3cm
-\begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} }
- \arrow[a.20]{}{}
- \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} }
-\end{rxn}
-\end{titlepage}
-
-\tableofcontents
-
-\section{Über}
-\subsection{Änderungen}
-Die neuesten Änderungen sind mit {\ECFTeenSpirit\color{red}Neu} gekennzeichnet.
-\subsubsection{Version 1.2}
-Neben einigen Bugfixes gibt es in Version v1.2 ein paar Neuerungen. Insbesondere wurde das fehlerhafte Verhalten bei der Ausrichtung von Branches sowie das seltsame Verhalten von Pfeilbeschriftungen, wenn man die Pfeillänge änderte, korrigiert. \textbf{Diese Veränderung hat zur Folge, das \mC nun \TikZ oder vielmehr pgf in der Version 2.10 benötigt} (siehe \ref{ssec:voraussetzungen}).
-
-Während sich diese Neuerungen im Hintergrund abspielen, gibt es auch ein paar Neuerungen für die Bedienung. Zum Beispiel gibt es nun einige Paketoptionen, um die automatisch eingebundenen Pakete besser zu handhaben (\ref{ssec:paketoptionen}). Außerdem haben die Pfeile zwei neue Keys bekommen (siehe \ref{ssec:arrow}).
-
-Auch die Umgebungen haben nun ein paar Möglichkeiten mehr, den persönlichen Vorstellungen angepasst zu werden (siehe \ref{sssec:rxn_optionen}, \ref{sssec:rxnscheme_optionen} und \ref{ssec:setrcndist}).
-
-Nicht zuletzt steht \mC ab v1.2 nun unter der LPPL Version 1.3 oder später.
-
-\subsubsection{Version 1.3}
-Die Befehle \lstinline+\branch+, \lstinline+\mesomeric+, \lstinline+\reactant+ und \lstinline+\transition+ können als optionales Argument neben der Ausrichtung auch \TikZ-Keys erhalten. Das zweite Argument ist nun ebenfalls als Option einzusetzen. Damit ist das erste optionale Argument immer noch die Ausrichtung, das zweite der Anker und in das dritte können beliebige \TikZ-Keys eingesetzt werden.
-\begin{lstlisting}
- \befehl[<pos>,<name>,<tikz>]{}
-\end{lstlisting}
-Bis Version 1.2 musste die Ausrichtung explizit angegeben werden, auch wenn die Default-Einstellung verwendet werden sollte, falls man \TikZ-Keys verwenden wollte. Das ist seit v1.3 nicht mehr nötig.
-\begin{lstlisting}
- % bisher:
- \reactant{\ce{Br2}}{}\arrow{$h\nu$}{}\reactant!![right,draw,inner sep=5pt]!!{\ce{2 \lewis{0.,Br}}}{}
- % jetzt:
- \reactant{\ce{Br2}}\arrow{$h\nu$}{}\reactant!![,,draw,inner sep=5pt]!!{\ce{2 \lewis{0.,Br}}}
-\end{lstlisting}
-Die Voreinstellungsbefehle wurden umbenannt und der Befehl \lstinline+\mCsetup+ hinzugefügt, mit dem die Voreinstellungen mit einer Schnittstelle gehandhabt werden können. Siehe \ref{ssec:setarrowlength}, \ref{ssec:setatomsize}, \ref{ssec:setbondlength}, \ref{ssec:setbondshape} und \ref{ssec:mCsetup}.
-
-Es gibt den neuen Befehl \lstinline+\chemand+, der ein $+$ erzeugt, siehe \ref{ssec:chemand}.
-
-Und auch das ist vielleicht ganz angenehm: alle \mC-Befehle in den Listings der Dokumentation sind nun anklickbare Hyperlinks, die auf ihre Beschreibung in der Befehlsreferenz verweisen.
-
-\subsubsection{Version 1.4}
-Der Befehl \lstinline+\merge+ wurde neu geschrieben, so dass der Pfeil auch beschriftet werden kann.
-
-Der eigentliche Zweck des Befehls \lstinline+\dummy+ ist obsolet geworden. Der Befehl existiert aber weiterhin.
-
-Bei den beiden Umgebungen \lstinline+rxn+ und \lstinline+rxnscheme+ hat sich die Verwendung der Optionen geändert, siehe \ref{sssec:rxn_optionen} und \ref{sssec:rxnscheme_optionen}.
-
-Die Keys von \lstinline+\arrow+ sind in Optionen verändert worden, um die Syntax des Befehls mit den anderen anzugleichen. Zudem gibt es drei neue Pfeiltypen, siehe \ref{ssec:arrow}. Neu ist außerdem das Aussehen der Pfeile und eine Möglichkeit, die Liniendicke der Pfeile anzupassen, siehe \ref{ssec:setarrowline}.
-
-Es gibt einen weiteren neuen Befehl: \lstinline+\anywhere+ (\ref{ssec:anywhere}), mit dem Text oder Formeln außerhalb der Chain gesetzt werden können.
-
-\subsubsection{Version \mCversion}
-\NEU%
-Im Hintergrund ist viel passiert, was einige neue Features bei der Anwendung gebracht hat. Die wichtigste Neuerung ist eine deutlich flexiblere Richtungsangabe bei allen Befehlen (Reaktanden, Pfeile, Zweige \ldots). Anstelle der starren \lstinline+right below+ u.\,ä. kann jetzt der Winkel angegeben werden.
-
-Es gibt die neuen Pfeiltypen \lstinline+<=>>+ und \lstinline+<<=>+, mit denen ein verschobenes Gleichgewicht angezeigt werden kann.
-
-Die Default-Platzierung von \lstinline+rxnscheme+ wurde von \lstinline+H+ in \lstinline+htp+ geändert.
-
-Die konkreten Einsatz-Beispiele wurden aus der Dokumentation ausgelagert und befinden sich in der Datei \texttt{examples.tex} bzw. \texttt{examples.pdf}.
-
-Die Befehle \lstinline+\arrow+, \lstinline+\reactant+, \lstinline+\mesomeric+, \lstinline+\transition+, \lstinline+\anywhere+, \lstinline+\dummy+, \lstinline+\branch+ und \lstinline+\chemand+ sind nur innerhalb der Umgebungen \lstinline+rxn+ und \lstinline+rxnscheme+ definiert.
-
-\subsection{Lizenz}
-\mC v\mCversion\ steht unter der \LaTeX\ Project Public License Version 1.3 oder später.\newline(\url{http://www.latex-project.org/lppl.txt})
-
-\subsection{Voraussetzungen}\label{ssec:voraussetzungen}\index{Voraussetzungen|(}
-Damit \mC funktionieren kann, müssen ein paar Pakete installiert sein:
-\begin{description}
- \item[\CF]\index{Voraussetzungen!ChemFig@\CF} ohne das ergibt die ganze Sache gar keinen Sinn;
- \item[ifthen]\index{Voraussetzungen!ifthen} für interne Abfragen;
- \item[calc]\index{Voraussetzungen!calc} für interne Berechnungen;
- \item[xkeyval]\index{Voraussetzungen!xkeyval} Paketoptionen und Befehl-Keys werden damit erstellt;
- \item[float]\index{Voraussetzungen!float} damit wird die \lstinline=rxnscheme=-Umgebung definiert;
- \item[pgf/\TikZ]\index{Voraussetzungen!pgf}\index{Voraussetzungen!TikZ@\TikZ} pgf ist nicht nur ein Paket sondern eine ganze Reihe von Paketen. Sie stellen die gesamte Basis für \TikZ da. Damit \mC funktionieren kann, muss mindestens die Version vom 08.09.2010\footnote{\url{http://sourceforge.net/projects/pgf/files/}} installiert sein.\\
- Genauer: der Befehl \lstinline=\pgfpositionnodelater= muss verfügbar sein. Noch genauer benötigt die Option \lstinline+both+ des Befehls \lstinline+\arrow+ diese Version. Wenn Sie die Option nicht verwenden, sollte \mC auch mit pgf v2.00 problemlos funktionieren. Ältere Versionen wurden nicht getestet.
-\end{description}
-\index{Voraussetzungen|)}
-
-\subsection{Die Idee}
-Seit August 2010 steht mit \CF eine wirklich flexible Lösung für organische Strukturformeln zur Verfügung. So kann man nun durch das Einbinden von \CF und `mhchem' mehr oder weniger alle Struktur- und Summenformeln, die man als Chemiker so benötigt, mit \LaTeX\ setzen. Was \CF gegenüber `ochem' noch benachteiligt, ist das Erstellen richtiger Reaktionsmechanismen. Hier soll \mC Abhilfe schaffen.
-
-\mC bindet die Pakete
-\begin{itemize}
- \item \CF\footnote{von Christian Tellechea, \url{http://www.ctan.org/tex-archive/macros/generic/chemfig/}}\index{ChemFig@\CF},
- \item wenn vorhanden `mhchem'\footnote{von Martin Hensel, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/mhchem/}}\index{mhchem} in der Version 3,
- \item wenn vorhanden `chemexec'\footnote{von mir, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/chemexec/}}\index{chemexec} und
- \item wenn vorhanden `chemcompounds'\footnote{von Stephan Schenk, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/chemcompounds/}}\index{chemcompounds} ein.
-\end{itemize}
-Zur Funktion der Befehle der oben genannten Pakete siehe deren Dokumentation. Wenn Sie die Pakete separat laden wollen, weil Sie ihnen Optionen mitgeben wollen, dann sollten Sie das machen, \emph{bevor} Sie \mC laden, um Konflikte zu vermeiden. \mC prüft intern einerseits darauf, ob die Pakete installiert sind und falls ja, ob sie bereits geladen sind. Wenn nicht, werden sie von \mC aufgerufen.
-
-Befehle, die durch die eingebundenen Pakete zur Verfügung stehen, sind unter anderem
-\begin{itemize}
- \item \lstinline=\ce{}= (mhchem)\index{mhchem}
- \item \lstinline=\ox{}{}=, \lstinline=\om[]=, \lstinline=\op[]=, \lstinline=\Hyd=, \lstinline=\Hpl= (chemexec)\index{chemexec}
- \item \lstinline=\chemfig[][]{}=, \lstinline=\chemrel[]{}=, \lstinline=\chemsign[]{}=, \lstinline=\lewis{}= (\CF)\index{ChemFig@\CF}
- \item \lstinline=\declarecompound[]{}=, \lstinline=\compound{}= (chemcompounds).\index{chemcompounds}
-\end{itemize}
-In den Beispielen in diesem Manual wurden Befehle dieser Pakete verwendet \emph{ohne sie speziell als solche zu kennzeichnen}.
-
-Vor allem stellt \mC Befehle zum Erstellen von Reaktionsschemata zur Verfügung.
-
-\section{Verwendung}
-\subsection{Hintergrund}
-\mC stellt zwei Umgebungen zur Verfügung, innerhalb derer die Reaktionsmechanismen erstellt werden. Beide Umgebungen sind letztlich eine \lstinline+tikzpicture+-Um\-ge\-bung. Die Frage, die sich aufdrängt, ist natürlich: wozu? \CF bringt doch schon einiges an Möglichkeiten mit, Reaktionsgleichungen zu erstellen. Und mit \TikZ hat man wirklich alle Möglichkeiten offen. Zugegeben. Allerdings bin ich faul, also habe einige häufig verwendete \TikZ-Befehle zu Makros zusammengefasst. Die sind immer mehr geworden und haben immer mehr Feinheiten erhalten, so dass dieses Paket dabei herausgekommen ist.
-
-\subsection{Das Grundprinzip}
-In dem \lstinline+tikzpicture+, das in den \mC-Umgebungen erstellt wird, werden Reaktanden und Reaktionspfeile mit einzelnen `nodes'\footnote{In einem tikzpicture kann man nahezu beliebig sogenannte `nodes' setzen, mit allen möglichen Formen und Inhalten. Das sind "`Knotenpunkte"' an bestimmten Koordinaten in einer `tikzpicture'-Umgebung.} auf einer `chain'\footnote{Dafür ist die tikzlibrary `chains' nötig.} angeordnet.
-\begin{SideBySideExample}
- \begin{tikzpicture}[start chain]
- \node [on chain] {A};
- \node [on chain] {B};
- \node [on chain] {C};
- \end{tikzpicture}
-\end{SideBySideExample}
-Dadurch ergeben sich einige Möglichkeiten, die `nodes' relativ zueinander zu platzieren.
-\begin{SideBySideExample}
- \begin{tikzpicture}[start chain=going right, node distance=5mm]
- \node [draw,on chain] {Hello};
- \node [draw,on chain] {World};
- \node [draw,continue chain=going below, on chain] {,};
- \node [draw,on chain] {this};
- \node [draw,on chain] {is};
- \end{tikzpicture}
-\end{SideBySideExample}
-\mC macht vor allem von der Möglichkeit Gebrauch, `branches' zu erstellen.
-\begin{SideBySideExample}
- \begin{tikzpicture}[start chain=going right, node distance=5mm]
- \node [draw,on chain] {A};
- \node [draw,on chain] {B};
- { [start branch]
- \node [on chain=going below] {1};
- \node [on chain=going below] {2};
- }
- { [start branch]
- \node [on chain=going above] {$\alpha$};
- \node [on chain=going above] {$\beta$};
- }
- \node [draw,on chain] {C};
- \end{tikzpicture}
-\end{SideBySideExample}
-Sie müssen das nicht in allen Konsequenzen nachvollziehen, das Grundprinzip sollte reichen.
-
-\subsection{Wie funktioniert's?}
-\subsubsection{Basisbefehle}
-Basis bilden folgende drei Befehle:\index{reactant}\index{rxn}\index{arrow}
-\begin{lstlisting}
- \begin{rxn}[<ausrichtung>,<skalierung>]
- \reactant[<pos>,<name>,<tikz>]{<formel>}
- \arrow[<pos>,<typ>,<längenfaktor>,<name>,both,<tikz>]{<oben>}{<unten>}
- \end{rxn}
-\end{lstlisting}
-Die Schemata werden innerhalb der \lstinline+rxn+-Umgebung erstellt. Dort werden Reaktanden und Pfeile gesetzt.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow{Ox.}{}
- \reactant{ \chemfig{-[::30]=_[::-60]O} }
- \end{rxn}
-\end{SideBySideExample}
-Ohne Optionen werden Reaktanden und Pfeile immer rechts voneinander gesetzt. Möchte man das nicht, hat man die Möglichkeit, über \lstinline+<pos>+ die Positionierung zu ändern.
-\begin{SideBySideExample}
- % Anordnung mit Schluesselwoertern:
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow[below]{Ox.}{}
- \reactant[below]{ \chemfig{-[::30]=_[::-60]O} }
- \end{rxn}
- % Anordnung durch Angabe des Winkels zur Horizontalen:
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow[180]{}{Ox.}
- \reactant[180]{ \chemfig{-[::30]=_[::-60]O} }
- \end{rxn}
-\end{SideBySideExample}
-\begin{table}
- \centering
- \begin{tabular}{>{\tt}lSS}
- \toprule
- {\normalfont Schlüsselwort} & {pos. Winkel} & {neg. Winkel} \\
- \midrule
- right & 0 & \pm 360 \\
- right above & 45 & -315 \\
- above & 90 & -270 \\
- above left & 135 & -225 \\
- left & 180 & -180 \\
- below left & 225 & -135 \\
- below & 270 & -90 \\
- below right & 315 & -45 \\
- \bottomrule
- \end{tabular}
- \caption{Schlüsselwörter zur Positionierung}\label{tab:keywords}
-\end{table}
-Sie sehen im letzten Beispiel, dass die Positionierung durch Schlüsselwörter (siehe \ref{tab:keywords}) wie \lstinline+below+ oder durch Angabe eines Winkels aus dem Intervall $[\ang{-360};\ang{360}]$ zur Horizontalen. \ang{0} entspricht \lstinline+right+, der Voreinstellung. \emph{Positive Winkel} bedeuten eine Drehung im \emph{Gegenuhrzeigersinn}, negative eine im Uhrzeigersinn, ganz in der mathematischen Bedeutung.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow[20]{Ox.}{}
- \reactant[20]{ \chemfig{-[::30]=_[::-60]O} }
- \end{rxn}
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow[-20]{Ox.}{}
- \reactant[-20]{ \chemfig{-[::30]=_[::-60]O} }
- \end{rxn}
-\end{SideBySideExample}
-
-\subsubsection{Positionierung}
-Die Reaktanden und Pfeile können nicht nur durch Schlüsselwörter und Winkel alleine positioniert werden, sondern auch in Bezug auf einen anderen Reaktanden oder Pfeil.
-\begin{Example}
- \begin{rxn}
- \reactant[,start]{ \chemfig{R-[::30](-[::60]R|^1) (-[::-120]R|^2)-[::-60]OH} }
- \arrow[40]{\tiny$\text{R}^1=\text{H}$} {\tiny$\text{R}^2=\text{H}$}
- \reactant[40]{ \chemfig{R-[::30]=_[::-60]O} }
- \arrow[start.0]{\tiny$\text{R}^1=\text{Alkyl}$} {\tiny$\text{R}^2=\text{H}$}
- \reactant{ \chemfig{R-[::30](-[::60]R)=_[::-60]O} }
- \arrow[start.-40,-|>]{\tiny$\text{R}^1=\text{Alkyl}$} {\tiny$\text{R}^2=\text{Alkyl}$}
- \end{rxn}
-\end{Example}
-Im letzten Beispiel wurden dem ersten Reaktanden der \lstinline+<name>+ \lstinline+start+ gegeben. Darauf konnten sich die Pfeile in Zeilen 5 und 7 in der Positionierung beziehen. Der \emph{zuvor vergebene Name} fungiert als Anker für den nächsten Reaktanden oder Pfeil, wenn die Positionierung nach dem Muster
-\begin{lstlisting}
- <anker>.<winkel>
-\end{lstlisting}
-angegeben wird. Auch Pfeile können einen Anker bekommen. Der Ankerpunkt eines Pfeils sitzt immer in der Mitte eines Pfeils und hat \emph{keine} Ausdehnung.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{\chemfig{[:60]-(-[::60])=[::-60](-[::-60])-}}
- \arrow[,,,pfeil]{}{}
- \reactant[pfeil.90]{\ce{H2O}}
- \end{rxn}
-\end{SideBySideExample}
-Bei dieser Art der Positionierung wird die Kette, aud der die Reaktanden und Pfeile sitzen, \emph{nicht} unterbrochen.
-\begin{lstlisting}
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \reactant{B}
- \arrow[a.-90]{}{}
- \reactant[-90]{C}
- \arrow[a.180]{}{}
- \reactant[180]{D}
- \end{rxn}
-\end{lstlisting}
-Alle sieben Objekte dieses Beispiels sitzen logisch gesehen auf einer Kette. Das nächste Objekt wird nun per Default rechts daneben geschrieben, wenn keine andere Positionierung angegeben wird.
-\begin{rxn}
- \tikzset{nummer/.style={circle,fill=gray!30,draw=gray,minimum size=3.5mm}}
- \reactant[,a]{A}\arrow[,,,pa]{}{}\reactant[,b]{B}
- \arrow[a.-90,,,pb]{}{}\reactant[-90,c]{C}
- \arrow[a.180,,,pc]{}{}\reactant[180,d]{D}
- \anywhere{a.45,,nummer}{1}
- \anywhere{pa.90,,nummer}{2}
- \anywhere{b.45,,nummer}{3}
- \anywhere{pb.0,,nummer}{4}
- \anywhere{c.45,,nummer}{5}
- \anywhere{pc.90,,nummer}{6}
- \anywhere{d.45,,nummer}{7}
-\end{rxn}
-
-\subsubsection{Verzweigungen}
-Um die Kette zu unterbrechen, gibt es den folgenden Befehl:\index{branch}
-\begin{lstlisting}
- \branch[<pos>,<name>,<tikz>]{<formeln>}
-\end{lstlisting}
-Bei einem Branch funktioniert die Positionierung ein bisschen anders als bei den bisherigen Objekten, auch wenn die Syntax ähnlich ist. Zusätzlich zu den drei bisherigen Positionierungsmöglichkeiten kommen beim Branch noch zwei weitere dazu. Alle Positionierungen, die sich auf einen Anker beziehen, sorgen dafür, dass der Branch \emph{nicht} auf der Kette sitzt, sondern ein echter Ast ist.
-\begin{lstlisting}
- <winkel> % auf der Kette
- <schluessel> % auf der Kette
- <anker>.<winkel> % nicht auf der Kette
- on chain=going <schluessel> % auf der Kette
- <schluessel>=of <anker> % nicht auf der Kette
-\end{lstlisting}
-Als \lstinline+<schluessel>+ können die Werte aus \ref{tab:keywords} verwendet werden.
-\begin{Example}
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow{}{}
- \reactant[,carbonyl]{ \chemfig{-[::30]=_[::-60]O} }
- \branch[carbonyl.-90]{
- \arrow[-90,<=>]{\ce{NH2R}}{}
- \reactant[-90]{ \chemfig{-[::30]=_[::-60]N(-[6]H)-[::60]R} }
- }
- \arrow{}{}
- \reactant{ \chemfig{-[::30](-[::60]OH)=_[::-60]O} }
- \end{rxn}
-\end{Example}
-Beachten Sie im letzten Beispiel, dass der Pfeil und der Reaktand nach dem Branch die ursprüngliche Kette fortsetzen.
-\begin{lstlisting}
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \reactant{B}
- \branch[a.-90]{
- \arrow[-90]{}{}
- \reactant[-90]{C}
- }
- \arrow[a.180]{}{}
- \reactant[180]{D}
- \end{rxn}
-\end{lstlisting}
-Die Kette wird durch den Ast unterbrochen, der seinerseits eine weitere Kette startet.
-\begin{rxn}
- \tikzset{nummer/.style={circle,fill=gray!30,draw=gray,minimum size=3.5mm}}
- \reactant[,a]{A}\arrow[,,,pa]{}{}\reactant[,b]{B}
- \branch[a.-90]{
- \arrow[-90,,,pb]{}{}\reactant[-90,c]{C}
- \anywhere{pb.0,,nummer}{a}
- \anywhere{c.45,,nummer}{b}
- }
- \arrow[a.180,,,pc]{}{}\reactant[180,d]{D}
- \anywhere{a.45,,nummer}{1}
- \anywhere{pa.90,,nummer}{2}
- \anywhere{b.45,,nummer}{3}
- \anywhere{pc.90,,nummer}{4}
- \anywhere{d.45,,nummer}{5}
-\end{rxn}
-Durch \lstinline+\branch+ sind verzweigtere Schemata möglich:
-\begin{Example}
- \begin{rxn}
- \reactant{ \chemfig{-[::30]-[::-60]OH} }
- \arrow{}{}
- \reactant[,carbonyl]{ \chemfig{-[::30]=_[::-60]O} }
- \arrow[-90]{}{}
- \reactant[-90]{ \chemfig{-[::30](-[::60]OH)=_[::-60]O} }
- \branch[right=of carbonyl]{
- \arrow[,<=>,1.12]{\ce{NH2R}}{}
- \reactant{ \chemfig{-[::30]=_[::-60]N(-[6]H)-[::60]R} }
- }
- \branch[below right=of carbonyl]{
- \arrow[-45,<=>,1.12]{ \chemfig{[,.75]-[::30]-[::-60]OH} }{}
- \reactant[-45]{ \chemfig{-[::30](-[::60]O-[::-60]-[::-60])-[::-60]OH} }
- }
- \arrow[carbonyl.90]{ \chemfig{[,.75]-[::30]=_[::-60]O}/\Hpl }{}
- \reactant[90]{ \chemfig{-[::30](-[::60]OH)-[::-60]-[::60]=[::60]O} }
- \arrow{$-\ce{H2O}$}{}
- \reactant{ \chemfig{-[::30]=[::-60]-[::60]=[::60]O} }
- \end{rxn}
-\end{Example}
-
-\subsubsection{Nummerierte Schemata}
-Es gibt noch eine weitere Umgebung, innerhalb derer Schemata erstellt werden können.\index{rxnscheme}
-\begin{lstlisting}
- \begin{rxnscheme}[<label>,<platzierung>,<ausrichtung>,<skalierung>,<titel>]{<caption>}
- ...
- \end{rxnscheme}
-\end{lstlisting}
-Diese Umgebung stellt eine Gleitumgebung für Schemata bereit, die eine Beschriftung \lstinline+<caption>+, ein Label \lstinline+<label>+ und die üblichen Platzierungen \lstinline+<platzierung>+ wie \lstinline+hpt+ (Voreinstellung) erhalten kann.
-\begin{Example}
- \begin{rxnscheme}[,H]{Keto-Enol-Tautomerie}
- \reactant{ \chemfig{=[::30]-[::-60]OH} }
- \arrow[,<=>]{}{}
- \reactant{ \chemfig{-[::30]=[::-60]O} }
- \end{rxnscheme}
-\end{Example}
-
-\subsection{Voreinstellungen}\index{Voreinstellungen|(}
-Es gibt einige Voreinstellungen, die zum Teil meinem persönlichen Geschmack geschuldet sind, die Sie aber nach Bedarf ändern können. So gelten für die \CF-Formeln \emph{innerhalb der \mC-Umgebungen} folgende Voreinstellungen:\index{setatomsep}\index{setcrambond}
-\begin{lstlisting}
- \setatomsep{1.8em}
- \setcrambond{3pt}{0.5pt}{1pt}
-\end{lstlisting}
-Außerhalb der Umgebungen gelten weiterhin die Voreinstellungen von \CF.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{\chemfig{**6(------)}}
- \end{rxn}
- \chemfig{**6(------)}
-\end{SideBySideExample}
-Sie können die Voreinstellungen von \mC über folgende Befehle ändern:\index{setbondlength}\index{setbondshape}\index{setatomsize}
-\begin{lstlisting}
- \setbondlength{<länge>}
- \setbondshape{<basislänge>}{<strichdicke>}{<strichabstand>}
- \setatomsize{<schriftgröße>}
-\end{lstlisting}
-Damit werden die Einstellungen nachfolgend \emph{für alle weiteren} \mC-Um\-ge\-bun\-gen geändert. Lassen Sie die Argumente leer, werden die Voreinstellungen wiederhergestellt. \lstinline=\setatomsize= hat die Voreinstellung \lstinline=\small=.
-\begin{Example}
- \setbondlength{2.1em}\setbondshape{5pt}{1pt}{2pt}\setatomsize{\Large}
- \begin{rxn}
- \reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
- \end{rxn}
- \setbondlength{}\setbondshape{}{}{}\setatomsize{}
- \begin{rxn}
- \reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
- \end{rxn}
-\end{Example}
-Wollen Sie nur die Parameter einer Umgebung ändern, verwenden Sie \emph{innerhalb der Umgebung} die Befehle von \CF und die \LaTeX-Befehle für die Schriftgröße.
-\begin{Example}
- \begin{rxn}
- \setatomsep{2.1em}\setcrambond{5pt}{1pt}{2pt}\Large
- \reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
- \end{rxn}
- \begin{rxn}
- \reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
- \end{rxn}
-\end{Example}
-Reaktionspfeile haben als Standardwert die Länge \SI{4}{\emlength}, die Standarddicke \lstinline+semithick+ und einen Beschriftungsabstand von \SI{0.2}{\emlength}. Die Voreinstellungen lassen sich mit den Befehlen\index{setarrowlength}\index{setarrowline}\index{setarrowlabel}
-\begin{lstlisting}
- \setarrowlength{<länge>}
- \setarrowline{<liniendicke>}
- \setarrowlabel{<label abstand>}
-\end{lstlisting}
-oder\index{mCsetup}
-\begin{lstlisting}
- \mCsetup{arrowlength=<länge>,
- arrowline=<liniendicke>,
- arrowlabel=<label abstand>}
-\end{lstlisting}
-ändern.
-\index{Voreinstellungen|)}
-
-\subsection{Paket-Optionen}\label{ssec:paketoptionen}\index{Optionen|(}
-\mC verfügt über einige Paket-Optionen.
-\begin{description}
- \vitem+chemstyle+\index{Optionen!chemstyle}Mit dieser Option kann `chemstyle' automatisch geladen werden, ohne dass Konflikte mit \mC enstehen.
- \vitem+color=<farbe>+\index{Optionen!color} Mit dieser Option wird die entsprechende Farbe an `chemexec' weitergereicht und dessen Option \lstinline+shade=true+ aufgerufen.
- \vitem+english+\index{Optionen!english} Wird diese Option aufgerufen, dann lädt \mC `chemexec' in der englischen Version, falls das Paket nicht vorher aufgerufen wurde. Außerdem wird der Name der \lstinline=rxnscheme=-Umgebung (siehe \ref{ssec:rxnscheme}) in "`Reaction scheme"' geändert.
- \vitem+nochemexec+\index{Optionen!nochemexec} Durch diese Option können Sie verhindern, dass \mC `chemexec' lädt.
- \vitem+nocolor+\index{Optionen!nocolor} Mit dieser Option wird `chemexec' ohne Farbe und mit der Option \lstinline+shade=false+ geladen (Default-Verhalten von \mC).
- \vitem+nocompounds+\index{Optionen!nocompounds}Durch diese Option können Sie verhindern, dass \mC `chemcompounds' lädt.
- \vitem+nomhchem+\index{Optionen!nomhchem}Durch diese Option können Sie verhindern, dass \mC `mhchem' lädt, vorausgesetzt, dass `chemexec' auch nicht geladen wird.
- \vitem+nopackages+\index{Optionen!nopackages}Durch diese Option werden (außer \CF) gar keine Pakete geladen\footnote{Außer denen, die \mC benötigt, um zu funktionieren (\TikZ etc.).}.
- \vitem+placement=<position>+\index{Optionen!placement} Durch den Aufruf dieser Option kann das Standard-Platzie\-rungs\-ver\-hal\-ten der \lstinline=rxnscheme=-Umgebung (siehe \ref{ssec:rxnscheme}) in \lstinline=<position>= geändert werden.
- \vitem+shade+\index{Optionen!shade} Mit dieser Option wird `chemexec' mit der Option \lstinline+shade=true+ geladen.
-\end{description}
-\index{Optionen|)}
-
-\section{Fortgeschrittene Anwendung, Verwendung von \TikZ}
-Das größte Problem bei der Verwendung von \mC ist in der Regel die korrekte Positionierung der einzelnen Reaktanden und Pfeile. Der \ref{ssec:ausrichtungsfrage} geht etwas näher darauf ein.
-
-Einige der Befehle ermöglichen als drittes optionales Argument die Angabe weiteren \TikZ-Codes. Genauer gesagt können Sie dort im wesentlichen diejenigen \TikZ-Keys einsetzen, die Sie in einem \lstinline+tikzpicture+ bei einer \lstinline+\node+ einsetzen können. Wenn die Syntax einer Node also \lstinline+\node[<tikz>](<platzierung>){<irgendwas>};+ ist, dann entspricht \lstinline+<tikz>+ dem entsprechenden Argument von \zB \lstinline+\reactant[,,<tikz>]{}+\index{reactant!tikz}. Dadurch lassen sich viele Feinjustierungen vornehmen. Wenn Sie Sich mit \TikZ einigermaßen auskennen, können Sie sowieso noch weitaus mehr realisieren, als durch \CF und \mC vorgegeben.
-
-\subsection{Die Ausrichtungsfrage}\label{ssec:ausrichtungsfrage}\index{Ausrichtung|(}
-Da Reaktanden, Pfeile und Zweige mittig zu dem Objekt, auf das sie sich beziehen, ausgerichtet werden, erzeugt die Default-Ausrichtung nicht immer schöne Ergebnisse.
-\begin{Example}
- \makevisible
- \begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{Benzol \compound{benzol}} }
- \arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{Brombenzol \compound{brombenzol}} }
- \end{rxn}
-\end{Example}
-Wie Sie sehen können, sind die beiden Reaktanden aus Sicht der Benzolringe nicht gleich zu dem Pfeil ausgerichtet. Der erste Reaktand scheint nach oben geschoben zu sein. Der Versuch, das mit \TikZ-Code wie \lstinline+xshift+\index{xshift} und \lstinline+yshift+\index{yshift} zu korrigieren, versagt.
-\begin{Example}
- \makevisible
- \begin{rxn}
- \reactant[,,yshift=-1em]{ \chemname{\chemfig{*6(-=-=-=)}}{Benzol \compound{benzol}} }
- \arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{Brombenzol \compound{brombenzol}} }
- \end{rxn}
-\end{Example}
-Das kommt daher, da der erste Reaktand relativ zu dem Objekt verschoben wird, auf das er sich bezieht. Da er das erste Objekt auf der Chain ist, wird er gar nicht verschoben. Der nachfolgende Pfeil richtet sich in Bezug auf den ersten Reaktanden aus.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant{A}
- \chemand
- \reactant[,,yshift=1em]{B}
- \arrow{}{}
- \end{rxn}
-\end{SideBySideExample}
-Da es (noch) keine Möglichkeit gibt, die Ausrichtung des Pfeils selbst zu ändern, könnte man ihn stattdessen in einen Zweig stecken.
-\begin{Example}
- \makevisible
- \begin{rxn}
- \reactant{A}
- \chemand
- \reactant[,,yshift=1em]{B}
- \branch[,,yshift=-1em]{\arrow{}{}}
- \end{rxn}
- \begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{Benzol \compound{benzol}} }
- \branch[,,yshift=1em]{\arrow{}{}}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{Brombenzol \compound{brombenzol}} }
- \end{rxn}
-\end{Example}
-Das ist für das letzte Beispiel aber nicht die beste Lösung, da die exakte Ausrichtung auf diese Weise immer eine ganze Reihe von Versuchen benötigt, bis man das gewünschte Ergebnis erzielt. Es gibt eine andere Lösung: ein unsichtbares Brom am ersten Benzol.
-\begin{Example}
- \makevisible
- \begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=(-[,,,,draw=none]\phantom{Br})-=)}}{Benzol \compound{benzol}} }
- \arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{Brombenzol \compound{brombenzol}} }
- \end{rxn}
-\end{Example}
-Auch in anderen Fällen ist der unsichtbare Substituent die bessere und einfachere Lösung gegenüber \TikZ-Code:
-\begin{Example}
- \makevisible
- default:
- \begin{rxn}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]OH}}
- \chemand
- \reactant{\chemfig{HO-[:30]-[:-30]-[:30]}}
- \arrow{[\Hpl]}{\SI{200}{\celsius}}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]O-[:30]-[:-30]-[:30]}}
- \end{rxn}
- Hydroxy-Gruppen auf gleicher H\"ohe mit Tikz:
- \begin{rxn}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]OH}}
- \chemand[,,yshift=-1.2em]
- \reactant[,,yshift=.12em]{\chemfig{HO-[:30]-[:-30]-[:30]}}
- \branch[,,yshift=1.08em]{\arrow{[\Hpl]}{\SI{200}{\celsius}}}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]O-[:30]-[:-30]-[:30]}}
- \end{rxn}
- Hydroxy-Gruppen auf gleicher H\"ohe durch unsichtbaren Substituenten:
- \begin{rxn}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]OH}}
- \chemand
- \reactant{\chemfig{HO-[:30](=[2,,,,draw=none]\phantom{O})-[:-30]-[:30]}}
- \arrow{[\Hpl]}{\SI{200}{\celsius}}
- \reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]O-[:30]-[:-30]-[:30]}}
- \end{rxn}
-\end{Example}
-Ich fürchte aber, in vielen Fällen müssen Sie mit \lstinline+xshift+\index{xshift} und \lstinline+yshift+\index{yshift} spielen, bis das Schema aussieht, wie Sie Sich das vorstellen. Vielleicht wird eine zukünftige Version von \mC eine benutzerfreundlichere Ausrichtungsmöglichkeit bieten.
-\index{Ausrichtung|)}
-
-\subsection{Mit \TikZ andere Ziele erreichen}
-Man könnte natürlich, nur zum Spaß?, das Aussehen von Molekülen mit \TikZ ändern.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant[,,->,green!45!blue!55]{ \chemfig{*6(---(-)---)} }
- \end{rxn}
- \chemfig[->,green!45!blue!55]{*6(---(-)---)}
-\end{SideBySideExample}
-Das Beispiel ist natürlich kein gutes, da mit \CF dasselbe Ergebnis erzielt werden kann. Vielfache andere Anwendungen sind aber denkbar: beispielsweise könnte man sich einen Stil definieren, in dem Reaktanden angezeigt werden sollen:
-\begin{Example}
- \colorlet{mCgreen}{green!50!gray}
- \colorlet{mCblue}{cyan!50!gray}
- \colorlet{mCred}{magenta!50!gray}
- \colorlet{mCyellow}{yellow!50!gray}
- \begin{rxn}
- \tikzset{reactant/.style={draw=#1,fill=#1!10,inner sep=1em,minimum height=10em,minimum width=12em,rounded corners}}
- \reactant[,cytosin,reactant=mCred]{\chemfig{H-[:30]N*6(-(=O)-N=(-NH_2)-=-)}}
- \anywhere{cytosin.-90,,yshift=-2mm}{Cytosin}
- \reactant[,thymin,reactant=mCyellow]{\chemfig{H-[:30]N*6(-(=O)-N(-H)-(=O)-(-CH_3)=-)}}
- \anywhere{thymin.-90,,yshift=-2mm}{Thymin}
- \reactant[cytosin.-90,adenin,yshift=-1.5em,reactant=mCblue]{\chemfig{[:-36]*5(-N(-H)-*6(-N=-N=(-NH_2)--)--N=)}}
- \anywhere{adenin.-90,Guanin,yshift=-2mm}{Adenin}
- \reactant[,guanin,reactant=mCgreen]{\chemfig{[:-36]*5(-N(-H)-*6(-N=(-NH_2)-N(-H)-(=O)--)--N=)}}
- \anywhere{guanin.-90,,yshift=-2mm}{Guanin}
- \end{rxn}
-\end{Example}
-Auf diese Weise könnten Teile eines Schemas hervorgehoben werden:
-\begin{Example}
- \begin{rxn}
- \setatomsep{1.5em}
- \colorlet{mCgreen}{green!50!gray}
- \tikzset{emph/.style={draw=mCgreen,fill=mCgreen!10,inner sep=1em}}
- \reactant[,lineOne]{\chemfig{R^1-[:30](=[@{b1}2]O)-[:-30]O-H}}
- \arrow[,<=>]{\chemfig{@{Hpl1}\Hpl}}{}
- \branch[,,emph]{
- \reactant{\chemfig{R^1-[:30]@{C1}(-[2]O-[:30]H)(-[6,.5,,,draw=none]\oplus)-[:-30]O-H}}
- \arrow[,<=>,2]{\chemfig{[:30]H-@{O1}O-[::-60]-R^2}}{}
- \reactant{\chemfig{R^1-[:30](-[2]O-[:30]H)(-[6]@{O2}O-[:-150]H)-[:-30]@{O3}\chemabove{O}{\oplus}(-[@{b2}6]H)-[:30]-[:-30]R^2}}
- }
- \anywhere{lineOne.-90,lineTwo,xshift=-3em,yshift=-7em}{}
- \arrow[lineTwo.0,<=>]{$-$\Hpl/\chemfig{@{Hpl2}\Hpl}}{}
- \reactant{\chemfig{R^1-[:30](-[@{b3}2]O-[@{b4}:30]H)(-[@{b5}6]@{O4}\chembelow{O}{\oplus}(-[:-30]H)-[:-150]H)-[:-30]O-[:30]-[:-30]R^2}}
- \arrow[,<=>,2]{\ce{- \Hpl - H2O}}{}
- \reactant{\chemfig{R^1-[:30](=[2]O)-[:-30]O-[:30]-[:-30]R^2}}
- \anywhere{lineTwo.-90}{
- \elmove{b1}{10:5mm}{Hpl1}{135:1cm}\elmove{O1}{135:1.5cm}{C1}{30:5mm}
- \elmove{O2}{-90:3cm}{Hpl2}{90:2cm}\elmove{b2}{0:5mm}{O3}{-10:5mm}
- \elmove{b4}{-40:5mm}{b3}{0:5mm}\elmove{b5}{-30:5mm}{O4}{-10:5mm}
- }
- \end{rxn}
-\end{Example}
-
-\section{Alphabetische Befehlsreferenz}\label{sec:referenz}
-Im folgenden Abschnitt werden alle Befehle von \mC in alphabetischer Reihenfolge vorgestellt.
-
-\subsection{anywhere}\label{ssec:anywhere}\index{anywhere|(}\index{Befehle!anywhere}
-\NEU%
-Manchmal ist es nützlich, wenn man einen Reaktanden oder irgendetwas anderes außerhalb der Chain platzieren kann.
-\begin{lstlisting}
- \anywhere{<pos>,<name>,<tikz>}{<irgendwas>}
-\end{lstlisting}
-Für diesen Fall gibt es den Befehl \lstinline+\anywhere+. Er wird über \lstinline+<pos>+ auf ähnliche Weise wie \lstinline+\branch+ platziert:
-\begin{lstlisting}
- <anker>.<winkel> % nicht auf der Kette
- on chain=going <schluessel> % auf der Kette
- <schluessel>=of <anker> % nicht auf der Kette
-\end{lstlisting}
-\textbf{Bitte beachten Sie, dass \lstinline+<pos>+ nicht leer bleiben kann.}
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant[,carbonyl_A]{\chemfig{R_2C=O}}
- \anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}};
- \end{rxn}
-\end{SideBySideExample}
-Der Befehl kann \zB gut zum Beschriften von Reaktionspartnern eingesetzt werden.
-\begin{Example}
- \begin{rxn}
- \reactant[,keton]{\chemfig{H-\chemabove{C}{\hspace*{5mm}\scriptstyle\alpha}(-[2]H)(-[6,,,2]{}|{\textcolor{blue}H})-C(=[:60]\lewis{02,O})-[:-60]C|H_3}}
- \anywhere{below=of keton}{$+$\color{blue}\Hyd}
- \arrow[,<=>]{\tiny langsam}{}
- \mesomeric[,mesomer]{
- \reactant[,carbanion]{\chemfig{H_2|\chemabove[3pt]{\lewis{2,C}}{\scriptstyle\ominus}-C(=[:60]\lewis{02,O})-[:-60]C|H_3}}
- \marrow
- \reactant[,enolat]{\chemfig{H_2C=C(-[:60]\chemabove{\lewis{024,O}}{\hspace*{5mm}\scriptstyle\ominus})-[:-60]C|H_3}}
- }
- \anywhere{above=of enolat}{\tiny Enolat-Ion}
- \anywhere{above=of carbanion}{\tiny Carbanion}
- \anywhere{below=of mesomer}{$+$\color{blue}\ce{H2O}}
- \end{rxn}
-\end{Example}
-Viele weitere Beispiele für Einsatzmöglichkeiten finden Sie in der Datei \texttt{examples.tex} bzw. \texttt{examples.pdf}.
-\index{anywhere|)}
-
-\subsection{arrow}\label{ssec:arrow}\index{arrow|(}\index{Befehle!arrow}
-Reaktionspfeile werden mit \lstinline=\arrow= erstellt.
-\begin{lstlisting}
- \arrow[<pos>,<typ>,<längenfaktor>,<name>,both,<tikz>]{<oben>}{<unten>}
-\end{lstlisting}
-\subsubsection{Optionen}\index{arrow!Optionen|(}
-Mit mehreren Optionen können die Reaktionspfeile angepasst werden. Die Optionen müssen an entsprechender Stelle, durch Kommata separiert, angegeben werden.
-\begin{enumerate}
-\item\lstinline+<pos>+\index{arrow!Optionen!pos} -- mögliche Einstellungen sind:
- \begin{rxn}
- \setarrowlength{2.5em}
- \dummy[a]
- \arrow{}{}\reactant{right = \ang{0}}
- \branch[above right=of a]{\arrow[above right]{}{}\reactant[above right]{above right = \ang{45}}}
- \branch[above=of a]{\arrow[above]{}{}\reactant[above]{above = \ang{90}}}
- \branch[above left=of a]{\arrow[above left]{}{}\reactant[above left]{above left = \ang{135}}}
- \branch[left=of a]{\arrow[left]{}{}\reactant[left]{left = \ang{180} = \ang{-180}}}
- \branch[below left=of a]{\arrow[below left]{}{}\reactant[below left]{below left = \ang{225} = \ang{-135}}}
- \branch[below=of a]{\arrow[below]{}{}\reactant[below]{below = \ang{270} = \ang{-90}}}
- \branch[below right=of a]{\arrow[below right]{}{}\reactant[below right]{below right = \ang{315} = \ang{-45}}}
- \end{rxn}
- \NEU%
- Außerdem kann jeder beliebige Winkel des Intervalls $[\ang{-360};\ang{360}]$ eingesetzt werden.
-
- Zusätzlich kann der Winkel in Bezug auf ein durch \lstinline+<name>+ benanntes Objekt angegeben werden: \lstinline+<name>.<winkel>+ bedeutet im Winkel von \lstinline+<winkel>+ neben \lstinline+<name>+. Im Dokument \texttt{examples.tex} bzw.\texttt{examples.pdf} können Sie einige Beispiele dafür finden.
-\item\lstinline+<typ>+\index{arrow!Optionen!typ} -- mögliche Einstellungen sind:
- \begin{rxn}
- \dummy[a]
- \branch[below=of a,b,yshift=.5em]{\arrow{}{}\reactant{\ttfamily -\textgreater}}
- \branch[below=of b,c,yshift=.5em]{\arrow[,<-]{}{}\reactant{\ttfamily \textless-}}
- \branch[below=of c,d,xshift=.25em,yshift=.5em]{\arrow[,<->]{}{}\reactant{\ttfamily \textless-\textgreater}}
- \branch[below=of d,e,yshift=.5em]{\arrow[,<=>]{}{}\reactant{\ttfamily \textless=\textgreater}}
- \branch[below=of e,f,xshift=.25em,yshift=.5em]{\arrow[,<=>>]{}{}\reactant{\ttfamily \textless=\textgreater{}\textgreater}}
- \branch[below=of f,g,yshift=.5em]{\arrow[,<<=>]{}{}\reactant{\ttfamily \textless{}\textless=\textgreater}}
- \branch[below=of g,h,xshift=-.25em,yshift=.5em]{\arrow[,-|>]{}{}\reactant{\ttfamily -\textbar\textgreater}}
- \branch[below=of h,,yshift=.5em]{\arrow[,-+>]{ }{ }\reactant{\ttfamily -+\textgreater}}
- \end{rxn}
-\item\lstinline+<längenfaktor>+\index{arrow!Optionen!längenfaktor@{längenfaktor}} -- mit dem Faktoren, den Sie hier angeben, wird die Pfeillänge (\SI{4}{\emlength} bei Faktor = $1.0$, Standard) multipliziert.
-\item\lstinline+<name>+\index{arrow!Optionen!name} -- hier können Sie dem Pfeil einen Anker geben, auf den \zB mit einem Branch referenziert werden kann.
-\item\lstinline+both+\index{arrow!Optionen!both}-- durch diese Option haben die beiden Nodes, in die die Label geschrieben werden, die gleichen Maße.
-\item\lstinline+<tikz>+\index{arrow!Optionen!tikz} -- mit dieser Option können die Pfeile mit \TikZ-Keys angepasst werden. Nicht alle \TikZ-Keys zeigen Auswirkungen. So können Pfeile \zB mit \lstinline+shift=<coord>+ \emph{nicht} verschoben werden.
-\end{enumerate}
-\begin{Example}
- \begin{rxn}
- \arrow[,,.25]{M}{}\arrow[,,.5]{MM}{}\arrow[,,.75]{MMM}{}\arrow{MMMM}{}\arrow[,,1.125]{MMMMM}{}\arrow[,,1.25]{MMMMM}{}
- \end{rxn}
-\end{Example}
-Beachten Sie, dass die Label \lstinline+<oben>+ und \lstinline+<unten>+ mit der Richtung gedreht werden. Bei einem Winkel von \ang{180} liegt \lstinline+<oben>+ tatsächlich unterhalb des Pfeils.
-\begin{SideBySideExample}
- \begin{rxn}
- \setarrowlength{2.5em}
- \dummy[a]
- \arrow{a}{b}
- \arrow[a.45]{a}{b}
- \arrow[a.90]{a}{b}
- \arrow[a.135]{a}{b}
- \arrow[a.180]{a}{b}
- \arrow[a.225]{a}{b}
- \arrow[a.270]{a}{b}
- \arrow[a.315]{a}{b}
- \end{rxn}
-\end{SideBySideExample}
-\NEU%
-Beim Pfeiltypen \lstinline"-+>" gibt es ein, zwei Dinge zu beachten: lässt man die Beschriftung leer, dann wird lediglich der nach rechts zeigende Pfeil angezeigt. Das erste Argument beschriftet den hinzukommenden und das zweite Argument den wegzeigenden Pfeil. Verwendet man nur eines dieser Argumente, wird auch nur der jeweilige Teil gezeichnet.\index{arrow!Optionen!typ}
-\begin{SideBySideExample}
- entspricht \verb"->":
- \begin{rxn}
- \arrow[,-+>]{}{}
- \end{rxn}
- hinzu:
- \begin{rxn}
- \arrow[,-+>]{a}{}
- \end{rxn}
- weg:
- \begin{rxn}
- \arrow[,-+>]{}{b}
- \end{rxn}
- hinzu und weg:
- \begin{rxn}
- \arrow[,-+>]{a}{b}
- \end{rxn}
- Leerzeichen sind \emph{kein} leeres Argument:
- \begin{rxn}
- \arrow[,-+>]{ }{ }
- \end{rxn}
-\end{SideBySideExample}
-\NEU%
-Durch Verwendung von \TikZ-Keys kann das Aussehen der Pfeile verändert werden:\index{arrow!Optionen!tikz}
-\begin{Example}
- \begin{rxn}
- \mCsetup{arrowlabel=.7em,arrowlength=6em}
- \reactant{A}
- \arrow[20,,,,,decorate,decoration=snake,blue]{a}{b}
- \reactant[20]{A$^*$}
- \end{rxn}
-\end{Example}
-\index{arrow!Optionen|)}
-
-\subsubsection{Ausrichtung}\index{arrow!Ausrichtung|(}
-Liegt der Pfeil in einem Branch (siehe \ref{ssec:branch}), dann wird die Ausrichtung des Branch bestimmt durch die Größe der Nodes, mit denen die Pfeilbeschriftung platziert wird. Hat der Pfeil nun nur eine oder zwei unterschiedlich große Beschriftungen, dann ist die Ausrichtung falsch.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \branch[below=of a]{
- \arrow[-90]{\chemfig{-[::30]-[::-60]OH}}{}
- }
- \end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-Durch die Verwendung der Option \lstinline=both=\index{arrow!Optionen!both} bekommen die Nodes beider Pfeilbeschriftungen die gleichen Maße, wodurch die Ausrichtung korrigiert werden kann.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \branch[below=of a]{
- \arrow[-90,,,,both]{\chemfig{-[::30]-[::-60]OH}}{}
- }
- \end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-Mehr zu dem Problem der Ausrichtung lesen Sie in \ref{sssec:branch_ausrichtung}.
-\index{arrow!Ausrichtung|)}
-
-\subsubsection{Aussehen}\index{arrow!Aussehen}
-Mit den Befehlen \lstinline+\setarrowlength+ (\ref{ssec:setarrowlength}) und \lstinline+\setarrowline+ (\ref{ssec:setarrowline}) lässt sich das prinzipielle Erscheinungsbild der Pfeile verändern.
-\index{arrow|)}
-
-\subsection{branch}\label{ssec:branch}\index{branch|(}\index{Befehle!branch}
-Der Befehl \lstinline=\branch= wird verwendet, um eine Verzweigung der Reaktion zu realisieren.
-\begin{lstlisting}
- \branch[<pos>,<name>,<tikz>]{<formel(n)>}
-\end{lstlisting}
-Für den \lstinline+\branch+ wird die Ausrichtung und der Anker wichtig. Sehen wir uns ein Beispiel an.
-\begin{Example}
- \begin{rxn}
- \reactant[,start]{\chemfig{-[::30]=_[::-60](-[::-60])-[::60]}}
- \arrow[,,.75]{\ce{HCl}}{}
- \reactant{\chemfig{-[::30]-[::-60](-[::120]Cl)(-[::-60])-[::60]}}
- \chemand
- \reactant{\chemfig{-[::30](-[::60]Cl)-[::-60](-[::-60])-[::60]}}
- \branch[below right=of start]{
- \arrow[-45,,.75]{\ce{H2O}}{}
- \reactant[-45]{\chemfig{-[::30]-[::-60](-[::120]OH)(-[::-60])-[::60]}}
- \chemand
- \reactant{\chemfig{-[::30](-[::60]OH)-[::-60](-[::-60])-[::60]}}
- }
- \end{rxn}
-\end{Example}
-In diesem Beispiel hat der erste Reaktand den Anker \lstinline+start+ bekommen (Zeile 2, siehe auch \ref{ssec:reactant}).
-\begin{lstlisting}[firstnumber=2]
- \reactant[,!!start!!]{ ... }
-\end{lstlisting}
-\lstinline+\branch+ bezieht sich nun in seiner Ausrichtung darauf (Zeile 7):
-\begin{lstlisting}[firstnumber=7]
- \branch[below right!!=of start!!]{ ... }
-\end{lstlisting}
-Gibt man die Ausrichtung nicht in Bezug auf einen Anker an, bezieht sie sich immer auf den letzten \lstinline+reactant+ oder \lstinline+\arrow+. Lässt man das optionale Argument leer, dann platziert sich der Branch automatisch rechts.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{ \chemfig{CH_2=CH-OH} }
- \arrow[,<=>,.5]{}{}
- \branch{ \reactant{ \chemfig{CH_3-CH=O} } }
- \end{rxn}
-\end{SideBySideExample}
-
-\subsubsection{Positionierung}\label{sssec:branch_positionierung}\index{branch!Positionierung|(}
-Ein Ast kann auf verschiedene Arten positioniert werden. Je nachdem ist er dann Teil der Kette oder ein echter Ast.
-\begin{lstlisting}
- <winkel> % auf der Kette
- <schluessel> % auf der Kette
- <anker>.<winkel> % nicht auf der Kette
- on chain=going <schluessel> % auf der Kette
- <schluessel>=of <anker> % nicht auf der Kette
-\end{lstlisting}
-Die Voreinstellung entspricht \lstinline+\branch[0]{}+. In unterschiedlichen Situationen kann eine unterschiedliche Verwendung angebracht sein. Wollen Sie zum Beispiel den Ast verwenden, um einen Pfeil zu verschieben, kann er durchaus Teil der Kette bleiben.
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{A}
- \branch[,,yshift=1em]{\arrow{}{}}
- \reactant[,,yshift=-1em]{B}
- \end{rxn}
-\end{SideBySideExample}
-Beim Anfangen eines echten Astes ist es nicht immer egal, ob man Variante 3 (\lstinline+<anker>.<winkel>+) oder 5 (\lstinline+<schluessel>=of <anker>+) wählt:
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a]{\chemfig{[:30]--[::-60]-OH}}
- \arrow{}{}
- \branch[a.-45]{\arrow[-45]{}{}}
- \end{rxn}
- \begin{rxn}
- \reactant[,a]{\chemfig{[:30]--[::-60]-OH}}
- \arrow{}{}
- \branch[below right=of a]{\arrow[-45]{}{}}
- \end{rxn}
-\end{SideBySideExample}
-Im ersten Fall wird der Ast \ang{45} unterhalb der Horizontalen ausgehend vom Zentrum des Reaktands positioniert. Da die Form des Reaktands rechteckig ist und nicht etwa quadratisch oder rund, stimmen die \ang{45} nicht mit "`unten rechts"' überein.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a,circle]{\chemfig{[:30]--[::-60]-OH}}
- \arrow{}{}
- \branch[a.-45]{\arrow[-45]{}{}}
- \end{rxn}
- \begin{rxn}
- \reactant[,a,circle]{\chemfig{[:30]--[::-60]-OH}}
- \arrow{}{}
- \branch[below right=of a]{\arrow[-45]{}{}}
- \end{rxn}
-\end{SideBySideExample}
-\index{branch!Positionierung|)}
-
-\subsubsection{Ausrichtungsprobleme}\label{sssec:branch_ausrichtung}\index{branch!Ausrichtung|(}
-Wenn ein Pfeil zwei verschieden große Label hat und in einem Branch liegt, wird der Branch nicht mehr richtig ausgerichtet. Der \lstinline=\arrow=-Key \lstinline=both= ist nicht wirklich eine Lösung, weil die kleinere Beschriftung dann nicht mehr am Pfeil liegt, sondern wegrutscht.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \branch[below=of a]{
- \arrow[-90,,,,both]{\chemfig{-[::30]-[::-60]OH}}{\Hpl}
- }
- \end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-In diesem Fall können Sie den Branch mit den \TikZ-Keys \lstinline=xshift=\index{xshift} und \lstinline=yshift=\index{yshift} verschieben.
-\begin{SideBySideExample}
- \makevisible
- \begin{rxn}
- \reactant[,a]{A}
- \arrow{}{}
- \branch[below=of a,,xshift=1.35em]{
- \arrow[-90]{\chemfig{-[::30]-[::-60]OH}}{\Hpl}
- }
- \end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-\index{branch!Ausrichtung|)}\index{branch|)}
-
-\subsection{chemand}\label{ssec:chemand}\index{chemand|(}\index{Befehle!chemand}
-Der Befehl
-\begin{lstlisting}
- \chemand[<pos>,<name>,<tikz>]
-\end{lstlisting}
-erzeugt und platziert ein $+$ auf die gleiche Weise, wie \lstinline+\reactant+ beliebigen Text platziert. Letztlich ist er nur ein Shortcut für \lstinline+\reactant+:
-\begin{lstlisting}
- \newcommand*{\chemand}[1][]{\reactant[#1]{\chemsign[0pt]{+}}}
-\end{lstlisting}
-\begin{Example}
- \begin{rxn}
- \reactant{\chemfig{*6(------)}}
- \chemand
- \reactant{\ce{Br2}}
- \arrow{$h\nu$}{}
- \reactant{\chemfig{*6(--(-Br)----)}}
- \chemand
- \reactant{\ce{HBr}}
- \end{rxn}
-\end{Example}
-Die optionalen Argumente von \lstinline+\chemand+ und \lstinline+\reactant+ sind also die gleichen, siehe \ref{ssec:reactant} für eine Beschreibung.
-\index{chemand|)}
-
-\subsection{dummy}\label{ssec:dummy}\index{dummy|(}\index{Befehle!dummy}
-\NEU%
-Mit \lstinline=\dummy= zeichnet man eine leere Node. Bis Version 1.3 mussten die Pfeile, die mit \lstinline=\arrow= erzeugt werden, einer Node nachfolgen. \lstinline=\arrow= ruft intern \lstinline=\tikzchainprevious= auf. Ist \emph{vor} einem Pfeil noch \emph{keine} Node auf die Chain geschrieben worden, erzeugte das eine Fehlermeldung. Ähnliches galt für \lstinline+\branch+. Durch Setzen des \lstinline=\dummy= konnte ein Schema dennoch mit einem Pfeil beginnen.
-\begin{lstlisting}
- \begin{rxn}
- \dummy\arrow{}{}
- \end{rxn}
-\end{lstlisting}
-\textbf{Das ist nun \emph{nicht} mehr nötig.} Dennoch kann unter Umständen eine leere Node am Anfang als Anker zur Ausrichtung anderer Objekte ganz nützlich sein, weshalb der Befehl weiter zur Verfügung steht.
-\index{dummy|)}
-
-\subsection{elmove}\label{ssec:elmove}\index{elmove|(}\index{Befehle!elmove}
-\lstinline=\elmove= ist lediglich ein Abkürzungsmakro für den \CF-Befehl \lstinline=\chemmove=.
-\begin{lstlisting}
- \elmove[<tikz>]{<start>}{<startrichtung>}{<ende>}{<endrichtung>}
-\end{lstlisting}
-Das schreibt den Befehl
-\begin{lstlisting}
- \chemmove{\draw[!!<tikz>!!](!!<start>!!).. controls +(!!<startrichtung>!!) and +(!!<endrichtung>!!)..(!!<ende>!!);}
-\end{lstlisting}
-mit \lstinline?[->,red,shorten <=3pt,shorten >=1pt]? als Voreinstellung für \lstinline=<tikz>=.
-
-Wie \lstinline=\chemmove= funktioniert, können Sie im Manual zu \CF nachlesen.
-\begin{Example}
- \begin{center}
- \setatomsep{1.8em}
- \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
- \elmove{e1}{60:4mm}{e2}{0:4mm}
- \end{center}
-\end{Example}
-Sie sollten \lstinline+\elmove+ \emph{nur innerhalb} von \lstinline+\anywhere+, \lstinline+\reactant+ oder \lstinline+\transition+ verwenden. Ansonsten könnten sich einige Ausrichtungsfehler ergeben.
-\index{elmove|)}
-
-\subsection{makeinvisible}\label{ssec:makeinvisible}\index{makeinvisible|(}\index{Befehle!makeinvisible}
-Dieser Befehl hebt die Änderungen von \lstinline=\makevisible= (siehe \ref{ssec:makevisible}) auf und stellt das normale Verhalten von \mC wieder her. \lstinline=\makeinvisible= wirkt sich nur auf nachfolgende Reaktanden aus.
-\index{makeinvisible|)}
-
-\subsection{makevisible}\label{ssec:makevisible}\index{makevisible|(}\index{Befehle!makevisible}
-Mit \lstinline=\makevisible= können Sie die Nodes, innerhalb derer sich die Reaktanden befinden, farbig hervorheben. Das kann \zB bei der Positionierung und Feinjustierung von Branches ganz nützlich sein. Ein Beispiel dafür sehen Sie in \ref{ssec:arrow}. Je nach Art der Node ist die Markierung eine andere:
-
-\tikz[baseline=(X.base)]\node[draw=red!60](X){\texttt{\textbackslash reactant\{\}}};, \tikz[baseline=(X.base)]\node[draw=green!60](X){\texttt{\textbackslash arrow\{above\}\{\}}};, \tikz[baseline=(X.base)]\node[draw=blue!60](X){\texttt{\textbackslash arrow\{\}\{below\}}}; und \tikz[baseline=(X.base)]\node[draw=cyan](X){\texttt{\textbackslash branch\{\}}};. Siehe auch \ref{ssec:makeinvisible}.
-
-\lstinline=\makevisible= wirkt sich nur auf nachfolgende Reaktanden aus und ist auch nur innerhalb der Gruppe wirksam, in der er gesetzt wurde.
-\begin{SideBySideExample}
- \begin{rxn}
- \makevisible
- \reactant[,a]{A}
- \arrow{a}{b}
- \branch[below=of a]{
- \arrow[-90,,,,both]{a}{b}
- }
- \end{rxn}
- \begin{rxn}
- {\makevisible
- \reactant{\chemfig{[:30]--[::-60]-OH}}
- }
- \reactant{\chemfig{[:30]--[::-60]-OH}}
- \end{rxn}
-\end{SideBySideExample}
-\index{makevisible|)}
-
-\subsection{marrow}\label{ssec:marrow}\index{marrow|(}\index{Befehle!marrow}
-Der Befehl \lstinline=\marrow= zeichnet einen Mesomeriepfeil.
-\begin{lstlisting}
- \marrow[<pos>]
-\end{lstlisting}
-Er ist eine Abkürzung für \lstinline+\arrow[<pos>,<->,.5]{}{}+.
-\index{marrow|)}
-
-\subsection{mCsetup}\label{ssec:mCsetup}\index{mCsetup|(}\index{Befehle!mCsetup}
-Der Befehl
-\begin{lstlisting}
- \mCsetup{<keys>}
-\end{lstlisting}
-kann verwendet werden, um alle Voreinstellungen zu verändern. Für jeden der \lstinline=\set<command>=-Befehle von \mC mit Ausnahme von \lstinline=\setbondshape= gibt es einen Key \lstinline+<command>=<value>+. Zusätzlich gibt es den Key \lstinline+align=<value>+, mit dem das Ausrichtungsverhalten von \lstinline=rxn= und \lstinline=rxnscheme= gleichzeitig geändert werden kann und den Key \lstinline=reset=, durch den alle Voreinstellungen wiederhergestellt werden.\index{mCsetup!align}\index{mCsetup!arrowlength}\index{mCsetup!atomsize}\index{mCsetup!bondlength}\index{mCsetup!mergelength}\index{mCsetup!rcndist}\index{mCsetup!rxnalign}\index{mCsetup!schemealign}\index{mCsetup!reset}
-\begin{Example}
- \mCsetup{
- align=left,
- arrowlabel=.7em,
- arrowlength=3em,
- arrowline=thick,
- atomsize=\large,
- bondlength=3em,
- mergelength=4em,
- rcndist=2em
- %rxnalign=right,
- %schemealign=left,
- }
- \setbondshape{4pt}{2pt}{1pt}
- \begin{rxn}
- \reactant{A}\arrow{a}{b}\reactant{\chemfig{A-(<[2])(<:[6])-B}}
- \end{rxn}
- \mCsetup{reset}
- \begin{rxn}
- \reactant{A}\arrow{a}{b}\reactant{\chemfig{A-(<[2])(<:[6])-B}}
- \end{rxn}
-\end{Example}
-\textbf{Für} \lstinline+\mCsetup+ \textbf{gilt wie für alle anderen Einstellungsbefehle: er ist nur innerhalb der Gruppe wirksam, in der er gesetzt wurde.}
-\index{mCsetup|)}
-
-\subsection{merge}\label{ssec:merge}\index{merge|(}\index{Befehle!merge}
-\NEU%
-Mit dem \lstinline+merge+-Befehl können verschiedene Reaktionsstränge zu einem vereint werden. Dafür müssen die einzelnen zu vereinenden Reaktanden mit einem Anker (\lstinline+\reactant[,<name>]{}+, entsprechend bei Branches, siehe \ref{ssec:reactant} bzw. \ref{ssec:branch}) gekennzeichnet sein und \emph{vor} \lstinline+\merge+ gesetzt werden.
-\begin{lstlisting}
- \merge[<label>,<pos>,<länge>]{<ziel>}{<start a>}{<start b>}
-\end{lstlisting}
-\lstinline+\merge+ kann drei optionale Argumente bekommen und benötigt als Argumente die Anker-Namen der zu verbindenen Reaktanden.
-\begin{Example}
- \begin{rxn}
- \branch[,oben]{
- \reactant[,start_a]{\chemfig{-[:30]-[:-30]OH}}
- \reactant[,start_b,xshift=9em]{\chemfig{-[:30]=[:-30]O}}
- }
- \branch[below=of oben,ziel,yshift=-5em]{
- \reactant{\chemfig{-[:30]-[:-30]O-[:30](-[2]OH)-[:-30]}}
- }
- \merge[\ce{[\Hyd]}]{ziel}{start_a}{start_b}
- \end{rxn}
-\end{Example}
-Die Standard-\lstinline+<pos>+ ist \lstinline+below+, andere mögliche Werte sind \lstinline+right+, \lstinline+left+ und \lstinline+above+. Mit \lstinline+<länge>+ kann die Länge des Pfeils \emph{ab der Zusammenführung} angegeben werden. Standard sind \SI{3}{\emlength}. Die Standardlänge kann über \lstinline+\setmergelength+\index{setmergelength} oder \lstinline+\mCsetup+\index{mCsetup} auch geändert werden.
-\begin{Example}
- \begin{rxn}
- \reactant[,start_a]{\chemfig{-[:30]-[:-30]OH}}
- \branch[below=of start_a,start_b,yshift=-9em]{
- \reactant{\chemfig{-[:30]=[:-30]O}}
- }
- \branch[right=of start_a,ziel,xshift=7em,yshift=-6em]{
- \reactant{\chemfig{-[:30]-[:-30]O-[:30](-[2]OH)-[:-30]}}
- }
- \merge[\ce{[\Hyd]},right,5em]{ziel}{start_a}{start_b}
- \end{rxn}
-\end{Example}
-Da man die Reaktanden vorher platzieren muss, ist es bestimmt hilfreich, die benötigten Abstände etwas im Auge zu behalten. Drei Werte bestimmen den benötigten Platz. Zum einen die {\color{green}Ausdehnung} der beteiligten Reaktanden, der Abstand der "`reaction-nodes"' {\color{red}rcndist} (siehe \ref{ssec:setrcndist}) voneinander und die Länge des \lstinline+\merge+-Pfeils {\color{blue}mergelength} (siehe auch \ref{ssec:setmergelength}).
-\begin{rxn}
- \node[above](a) at (0,0){A};
- \node[above](b) at (10em,0){B};
- \node[below](c) at (5em,-6em){C};
- \merge{c}{a}{b}
- \draw (-8.5em,1em) -- (-8.5em,-9em);
- \foreach \x in {-1,0,1,2,3,4,5,6,7,8,9}{
- \draw (-8.5em,-\x em) -- (-8.7em,-\x em);
- }
- \draw[<->,red] (10em,0)--node[midway,right,xshift=.2em]{rcndist (default: 1em)}(10em,-1em);
- \draw[<->,red] (0,0)--(0,-1em);
- \draw[<->,red] (5em,-5em)--(5em,-6em);
- \draw[<->,blue] (6em,-2em) --node[midway,right,xshift=.2em]{mergelength (default: 3em)} (6em,-5em);
- \draw[<->,green] ($(a.base)+(-.5em,0)$)--node[midway,left,xshift=-.2em]{halber Reaktand}++(0,.5em);
-\end{rxn}
-Noch ein letztes Beispiel, bei dem zwei Stränge vereint werden.
-\begin{Example}
- \begin{rxn}
- \setatomsep{1em}\tiny
- % Strang 1
- \reactant[,oben]{ \chemfig{Cl-[:30,1.5]--[:-30,1.5]O-[:30,1.5]--[:-30,1.5]Cl}{} }
- \arrow[,,.5]{}{}
- \reactant[,start_oben]{ \chemfig{O(-[:-150]**6(-----(-OH)-))-[:90]-[:30]-[:-30]O-[:30]-[:-30]-[:-90]O-[:-30]**6(-(-HO)-----)} }
- % Strang 2
- \branch[below=of oben,start_unten,xshift=8em,yshift=-4em]{
- \reactant{ \chemfig{**6((--[6,,,2]HO)-N-(--[6]OH)----)} }
- \arrow[,,.5]{}{}
- \reactant{ \chemfig{**6((--[6]Br)-N-(--[6]Br)----)} }
- }
- % Ziel
- \branch[right=of start_oben,ziel,xshift=5em,yshift=-4em]{
- \reactant[,c]{ \chemfig{O(-[:-150]**6(-----(-O?)-))-[:90]-[:30]**6(-N-(--[:-90]O-[:-30]**6(-(-O-[6]-[:-150]-[:150]O-[:-150]-[:150]?)-----))----)} }
- }
- % Zusammenfuehren:
- \merge[,right]{ziel}{start_oben}{start_unten}
- \end{rxn}
-\end{Example}
-Die Verwendung von \lstinline=\merge= erfordert unter Umständen einige Spielerei mit Branches, \lstinline+xshift+\index{xshift} und \lstinline+yshift+\index{yshift}, bis man das gewünschte Ergebnis erhält.
-\begin{Example}
- \begin{rxn}
- \setatomsep{1.5em}
- \reactant[,start_aa]{ \chemname{\chemfig{**6(---(-NH_2)---)}}{Anilin} }
- \reactant[below,start_ab,yshift=-3em]{ \chemname{\ce{HNO2}}{salpetrige S"aure} }
- \branch[right=of start_aa,ziel_a,xshift=6em,yshift=-5em]{
- \reactant{ \chemname{\chemfig{**6(---(-N|_2\op)---)}}{Diazoniumion} }
- }% = start_ba
- \branch[below=of ziel_a,start_bb,yshift=-3em]{
- \reactant{ \chemname{\chemfig{**6(---(-NH_2)---)}}{Anilin} }
- }
- \branch[right=of ziel_a,ziel_b,xshift=6em,yshift=-5em]{
- \reactant{ \chemname{\chemfig{N(-[:-150]**6(------))=N-[:-30]**6(---(-NH_2)---)}}{p-Aminodiazobenzol} }
- }
- \merge[,right]{ziel_a}{start_aa}{start_ab}
- \merge[,right]{ziel_b}{ziel_a}{start_bb}
- \end{rxn}
-\end{Example}
-\index{merge|)}
-
-\subsection{mesomeric}\label{ssec:mesomeric}\index{mesomeric|(}\index{Befehle!mesomeric}
-Der \lstinline=\mesomeric=-Befehl funktioniert wie ähnlich wie \lstinline=\branch= (\ref{ssec:branch}). Sein Zweck ist es, eckige Klammern zu setzen.
-\begin{lstlisting}
- \mesomeric[<pos>,<name>,<tikz>]{<formel(n)>}
-\end{lstlisting}
-In \lstinline=<formel(n)>= werden die mesomeren Grenzstrukturen geschrieben. Mit \lstinline=\marrow=\linebreak (\ref{ssec:marrow}) werden die Mesomeriepfeile gesetzt. Man kann \lstinline=\mesomeric= falls nötig mit einem Anker (\lstinline=<name>=) versehen (\ref{ssec:branch}). Die \lstinline+<pos>+ funktioniert wie bei \lstinline=\reactant[<pos>]{}=.
-\begin{Example}
- \begin{rxn}
- \mesomeric{
- \reactant{
- \chemfig{*6(=[@{e1}]-=-(-[:120]X)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
- \elmove{e1}{60:4mm}{e2}{0:4mm}
- }
- \marrow
- \reactant{
- \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]X)(-[:60]H)-=)}
- \elmove{e3}{180:4mm}{e4}{150:4mm}
- }
- \marrow
- \reactant{
- \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]X)(-[:60]H)-=)}
- }
- }
- \end{rxn}
-\end{Example}
-Oder auch von oben nach unten:
-\begin{SideBySideExample}
- \begin{rxn}
- \mesomeric{
- \reactant{ \chemfig{*6(=-=-=-)} }
- \marrow[below]
- \reactant[below]{ \chemfig{*6(-=-=-=)} }
- }
- \end{rxn}
-\end{SideBySideExample}
-Vielleicht auch einen Komplex?
-\begin{Example}
- \begin{rxn}
- \setatomsep{3em}
- \mesomeric[,a]{
- \reactant{ \chemfig{H_3\lewis{0,N}-[,1.35,,,dotted]{Cu}(-[2,,,,dotted]\lewis{6,N}H_3)(-[6,,,,dotted]\lewis{2,N}H_3)-[,1.2,,,dotted]\lewis{4,N}H_3} }
- }
- \anywhere{above right=of a,,yshift=-1em}{$2\oplus$}
- \end{rxn}
-\end{Example}
-\index{mesomeric|)}
-
-\subsection{reactant}\label{ssec:reactant}\index{reactant|(}\index{Befehle!reactant}
-Der Befehl \lstinline=\reactant=\footnote{In älteren Versionen hieß der Befehl \texttt{\textbackslash reactand}. Dieser Befehl ist noch immer verfügbar.} ist so etwas wie der Basisbefehl.
-\begin{lstlisting}
- \reactant[<pos>,<name>,<tikz>]{<formel(n)>}
-\end{lstlisting}
-In diesen Befehl werden die Formeln (\lstinline=<formel>=) geschrieben und können, falls nötig, mit einem Anker (\lstinline=<name>=) versehen werden. \lstinline+<pos>+ kann die 8 Schlüssel-Werte
-\begin{alphlist}
- \item \lstinline+right+,
- \item \lstinline+above right+,
- \item \lstinline+above+,
- \item \lstinline+above left+,
- \item \lstinline+left+,
- \item \lstinline+below left+,
- \item \lstinline+below+,
- \item \lstinline+below right+
-\end{alphlist}
-\NEU%
-annehmen, einen Winkel des Intervalls $[\ang{-360};\ang{360}]$ oder eine Anker-Winkel-Kom\-bi\-na\-tion \lstinline+<anker>.<winkel>+ sein. Die Voreinstellung entspricht \lstinline+\reactant[0]{}+.
-\begin{SideBySideExample}
-%untereinander:
- \begin{rxn}
- \reactant{\ce{Br2}}
- \reactant[-90]{\ce{Cl2}}
- \end{rxn}
-
-%Beispiel mit mehreren Reaktanden:
- \begin{rxn}
- \reactant{\ce{Br2}}
- \reactant[-90]{\ce{I2}}
- \reactant{\ce{Cl2}}
- \end{rxn}
-
-%Reaktion von oben nach unten:
- \begin{rxn}
- \reactant{\ce{Br-Br}}
- \arrow[-90,,.5]{$h\nu$}{}
- \reactant[-90]{\ce{2 ~\lewis{0.,Br}}}
- \end{rxn}
-\end{SideBySideExample}
-Viele weitere Beispiele finden Sie in der Datei \texttt{examples.tex} bzw. \texttt{examples.pdf}.
-\index{reactant|)}
-
-\subsection{rxn (Umgebung)}\label{ssec:rxn}\index{rxn|(}\index{Befehle!rxn|see{rxn}}\index{Umgebung!rxn|see{rxn}}
-Die Umgebung \lstinline=rxn= ist eine unnummerierte nicht gleitende Umgebung für Reaktionsschemata. Die Reaktionsschemata werden per Default zentriert. Die Voreinstellungen \lstinline=\setbondlength=, \lstinline=\setbondshape=, \lstinline=\setarrowlength= und \lstinline=\setatomsize= gelten hier ebenso wie bei \lstinline=rxnscheme=.
-\begin{lstlisting}
- \begin{rxn}[<ausrichtung>,<skalierung>]
- ...
- \end{rxn}
-\end{lstlisting}
-
-\subsubsection{Optionen}\label{sssec:rxn_optionen}\index{rxn!Optionen|(}
-\lstinline=rxn= hat zwei Optionen, die in der angegebenen Reihenfolge, durch Komma separiert, einzusetzen sind:
-\begin{enumerate}
- \item\lstinline+<ausrichtung>+\index{rxn!Optionen!ausrichtung} das Ausrichtungsverhalten der \lstinline=rxn=-Umgebung, Default: center
- \item\lstinline+<skalierung>+\index{rxn!Optionen!skalierung} Skalierung der \lstinline=rxn=-Umgebung, Default: 1.0
-\end{enumerate}
-Wenn Sie die \lstinline+<skalierung>+-Option verwenden, können Sie auf seltsame Effekte bei \CF-Formeln stoßen.
-\begin{SideBySideExample}
- \begin{rxn}[,.5]
- \reactant{\chemfig{**6(------)}}
- \end{rxn}
-\end{SideBySideExample}
-Die Skalierung hat keinen Einfluss auf die Größe der \CF-Formeln, skaliert aber den Aromatizitäts-Ring von Benzol und ähnlichen Molekülen. Die Ursache liegt an einer Unannehmlichkeit von \CF.
-\begin{SideBySideExample}
- \chemfig[scale=.5]{**6(------)}
-\end{SideBySideExample}
-Sie können das lösen, indem Sie entweder mit dem \emph{ersten} optionalen Argument von \lstinline+\chemfig+ den Ring wieder vergrößern, oder mit dem \emph{zweiten} Argument den Rest auch verkleinern.
-\begin{Example}
- \begin{rxn}[,.5]
- \reactant{\chemfig[scale=2]{**6(------)}}
- \reactant{\chemfig[][scale=.5]{**6(------)}}
- \end{rxn}
- \chemfig[scale=.5][scale=.5]{**6(------)}
-\end{Example}
-Beispiele zur Ausrichtung:
-\begin{Example}
- \begin{rxn}[center]
- \reactant{center}\arrow{}{}\reactant{zentriert}
- \end{rxn}
- \begin{rxn}[right]
- \reactant{right}\arrow{}{}\reactant{rechts}
- \end{rxn}
- \begin{rxn}[left]
- \reactant{left}\arrow{}{}\reactant{links}
- \end{rxn}
-\end{Example}
-\index{rxn!Optionen|)}\index{rxn|)}
-
-\subsection{rxnscheme (Umgebung)}\label{ssec:rxnscheme}\index{rxnscheme|(}\index{Befehle!rxnscheme|see{rxnscheme}}\index{Umgebung!rxnscheme|see{rxnscheme}}
-Die Umgebung \lstinline=rxnscheme= ist eine Gleitumgebung für Reaktionsschemata.
-\begin{lstlisting}
- \begin{rxnscheme}[<label>,<platzierung>,<ausrichtung>,<skalierung>,<titel>]{<caption>}
- ...
- \end{rxnscheme}
-\end{lstlisting}
-
-\subsubsection{Optionen}\label{sssec:rxnscheme_optionen}\index{rxnscheme!Optionen|(}
-\lstinline=rxnscheme= hat fünf Optionen, die in der angegebenen Reihenfolge, durch Komma separiert, einzusetzen sind:
-\begin{enumerate}
- \item\lstinline+<label>+\index{rxnscheme!Optionen!label} Wie jede Gleitumgebung kann auch \lstinline=rxnscheme= mit einem Label versehen werden. Setzen Sie \zB
- \begin{lstlisting}
- \begin{rxnscheme}[rs:schema]{<caption>}
- ...
- \end{rxnscheme}
- \end{lstlisting}
- ein, können Sie mit \lstinline=\ref{rs:schema}= wie gewohnt referenzieren.
- \item\lstinline+<platzierung>+\index{rxnscheme!Optionen!platzierung} Hier können sie Platzierungsangaben wie \lstinline+htp+ angeben. Default ist \lstinline+H+ (genau hier).
- \item\lstinline+<ausrichtung>+\index{rxnscheme!Optionen!ausrichtung}Mit dieser Option kann man auswählen, ob das Schema links, rechts oder mittig ausgerichtet wird.
- \item\lstinline+<skalierung>+\index{rxnscheme!Optionen!skalierung} Mit dieser Option kann das Reaktionsschema skaliert werden. Beachten Sie, dass sie sich nicht auf die Schriftgröße und die Größe der \CF-Formeln auswirkt. Sie können allerdings seltsame Auswirkungen auf \CF-Formeln beobachten, wenn Sie diese Option verwenden. Lesen Sie \ref{sssec:rxn_optionen} für weitere Informationen.
- \begin{lstlisting}
- \begin{rxnscheme}[,,,<skalierung>]{<caption>}
- ...
- \end{rxnscheme}
- \end{lstlisting}
- \item\lstinline+<titel>+\index{rxnscheme!Optionen!titel} Mit dieser Option lässt sich der Name des konkreten Schemas von "`Reaktionschema"' (oder "`Reaction scheme"') in \lstinline+<titel>+ ändern.
-\end{enumerate}
-\begin{Example}
- \begin{rxnscheme}[,H,,2]{Gro\ss es Schema}
- \large\setatomsep{3.5em}
- \reactant{ \chemfig{=[::30]-[::-60]OH} }
- \arrow[,<=>]{}{}
- \reactant{ \chemfig{-[::30]=[::-60]O} }
- \end{rxnscheme}
- \begin{rxnscheme}[,H,,.5]{Kleines Schema}
- \tiny\setatomsep{1em}
- \reactant{ \chemfig{=[::30]-[::-60]OH} }
- \arrow[,<=>]{}{}
- \reactant{ \chemfig{-[::30]=[::-60]O} }
- \end{rxnscheme}
- \begin{rxnscheme}[,H]{center}
- \reactant{center}\arrow{}{}\reactant{zentriert}
- \end{rxnscheme}
- \begin{rxnscheme}[,H,right]{right}
- \reactant{right}\arrow{}{}\reactant{rechts}
- \end{rxnscheme}
- \begin{rxnscheme}[,H,left]{left}
- \reactant{left}\arrow{}{}\reactant{links}
- \end{rxnscheme}
-\end{Example}
-\index{rxnscheme!Optionen|)}
-
-\subsubsection{rxnscheme anpassen}\label{sssec:rxnscheme_anpassen}\index{rxnscheme!anpassen|(}
-\paragraph{Stil}\index{rxnscheme!anpassen!Stil}
-Wenn Ihnen der Stil nicht gefällt, können Sie diesen mit
-\begin{lstlisting}
- \floatstyle{<neuer Stil>}
- \restylefloat{rxnfloat}
-\end{lstlisting}
-ändern. Als Stile stehen durch das `float'-Paket
-\begin{description}
- \vitem=plain= Ohne spezielle Formatierungen, Legende erscheint unter dem Objekt
- \vitem=plaintop= Wie \lstinline=plain=, aber Legende oberhalb des Objekts
- \vitem=boxed= Objekt ist gerahmt, Legende unterhalb
- \vitem=ruled= Legende erscheint von Linien umgeben oberhalb des Objekts, Objekt wird unterhalb von einer weiteren Linie begrenzt; Voreinstellung für \lstinline=rxnscheme=
-\end{description}
-zur Verfügung.
-\begin{Example}
- \begin{rxnscheme}[,H]{ruled}
- \reactant{Standard-Stil}
- \end{rxnscheme}
- \floatstyle{boxed}
- \restylefloat{rxnfloat}
- \begin{rxnscheme}[,H]{boxed}
- \reactant{mit Rahmen}
- \end{rxnscheme}
- \floatstyle{plain}
- \restylefloat{rxnfloat}
- \begin{rxnscheme}[,H]{plain}
- \reactant{ohne Schnickschnack}
- \end{rxnscheme}
-\end{Example}
-\floatstyle{ruled}
-\restylefloat{rxnfloat}
-\paragraph{Platzierung}\index{rxnscheme!anpassen!Platzierung}
-Auch das Platzierungsverhalten, das in der Voreinstellung \lstinline=hpt= ist, können Sie entsprechend ändern.
-\begin{lstlisting}
- \floatplacement{rxnfloat}{<position>}
-\end{lstlisting}
-Einfacher ist allerdings der Aufruf von \mC mit entsprechender Option.
-\begin{lstlisting}
- \usepackage[placement=<position>]{mychemistry}
-\end{lstlisting}
-Sie können auch das Verhalten einer einzigen Umgebung durch Angabe der entsprechenden Option ändern.
-\begin{lstlisting}
- \begin{rxnscheme}[,<platzierung>]{<caption>}
- ...
- \end{rxnscheme}
-\end{lstlisting}
-\paragraph{Benennung}\label{par:rxnscheme_name}\index{rxnscheme!anpassen!Benennung}
-Wollen Sie den Namen der Beschriftung ändern, können Sie das mit
-\begin{lstlisting}
- \setschemename{<neuer name>}
-\end{lstlisting}
-machen. Voreinstellung ist "`Reaktionschema"' bzw "`Reaction scheme"' bei der Paketoption `english'.
-\paragraph{Zähler}\index{rxnscheme!anpassen!Zaehler@Zähler}
-Um den Zähler zu ändern, gehen Sie wie üblich vor. Durch
-\begin{lstlisting}
- \makeatletter
- \@addtoreset{rxnfloat}{section}
- \makeatother
- \renewcommand{\therxnfloat}{\arabic{section}.\arabic{rxnfloat}}
-\end{lstlisting}
-wird der Zähler der Schemata \zB mit jeder neuen \lstinline=section= zurückgesetzt und die Nummer nach den Muster \lstinline=section.rxnscheme= ausgegeben. Beachten Sie, dass Sie wegen des {@} den Aufruf mit \lstinline=\makeatletter= und\lstinline=\makeatother= begrenzen müssen.
-\paragraph{Verzeichnis}\index{rxnscheme!anpassen!Verzeichnis}
-Mit
-\begin{lstlisting}
- \listof{rxnfloat}{<titel>}
-\end{lstlisting}
-können Sie eine Liste aller Reaktionsschemata erzeugen:
-\begin{SideBySideExample}
- \listof{rxnfloat}{Reaktionsschemata}
-\end{SideBySideExample}
-\index{rxnscheme!anpassen|)}\index{rxnscheme|)}
-
-\subsection{setarrowlabel}\label{ssec:setarrowlabel}\index{setarrowlabel|(}\index{Befehle!setarrowlabel}
-\NEU%
-Die Beschriftungen eines Pfeils haben in der Voreinstellung einen Abstand von \SI{0.2}{\emlength} vom Pfeil. Mit
-\begin{lstlisting}
- \setarrowlabel{<abstand>}
-\end{lstlisting}
-kann der Abstand in \lstinline+<abstand>+ geändert werden.
-\begin{SideBySideExample}
- \begin{rxn}
- \arrow{a}{b}
- \setarrowlabel{.5em}
- \arrow{a}{b}
- \end{rxn}
-\end{SideBySideExample}
-\index{setarrowlabel|)}
-
-\subsection{setarrowlength}\label{ssec:setarrowlength}\index{setarrowlength|(}\index{Befehle!setarrowlength}
-Reaktionspfeile haben als Standardwert die Länge \SI{4}{\emlength}. Die Voreinstellung lässt sich mit
-\begin{lstlisting}
- \setarrowlength{<länge>}
-\end{lstlisting}
-auf \lstinline+<länge>+ ändern. Beachten Sie, dass Sie eine Längeneinheit verwenden müssen. Lassen Sie das Argument leer, wird die Voreinstellung wiederhergestellt.
-\index{setarrowlength|)}
-
-\subsection{setarrowline}\label{ssec:setarrowline}\index{setarrowline|(}\index{Befehle!setarrowline}
-\NEU%
-Mit dem Befehl
-\begin{lstlisting}
- \setarrowline{<value>}
-\end{lstlisting}
-lässt sich die Dicke der Pfeillinien einstellen. Mögliche Werte sind
- \begin{flushleft}
- \begin{tikzpicture}
- \draw[ultra thin] (0,0)--(1,0)node[right]{\tt ultra thin};
- \draw[very thin] (0,-.5)--(1,-.5)node[right]{\tt very thin};
- \draw[thin] (0,-1)--(1,-1)node[right]{\tt thin};
- \draw[semithick] (0,-1.5)--(1,-1.5)node[right]{{\tt semithick} (default)};
- \draw[thick] (0,-2)--(1,-2)node[right]{\tt thick};
- \draw[very thick] (0,-2.5)--(1,-2.5)node[right]{\tt very thick};
- \draw[ultra thick] (0,-3)--(1,-3)node[right]{\tt ultra thick};
- \end{tikzpicture}
-\end{flushleft}
-Die Werte \lstinline+very thick+ und \lstinline+ultra thick+ sind nicht zu empfehlen.
-
-Die Einstellung gilt auch für \lstinline+\merge+\index{merge}.
-\index{setarrowline|)}
-
-\subsection{setatomsize}\label{ssec:setatomsize}\index{setatomsize|(}\index{Befehle!setatomsize}
-Mit
-\begin{lstlisting}
- \setatomsize{<größe>}
-\end{lstlisting}
-lässt sich die Schriftgröße der Atomgruppen verändern. Standard ist \lstinline=\small=. Lassen Sie das Argument leer, wird die Voreinstellung wiederhergestellt.
-\index{setatomsize|)}
-
-\subsection{setbondlength}\label{ssec:setbondlength}\index{setbondlength|(}\index{Befehle!setbondlength}
-Mit
-\begin{lstlisting}
- \setbondlength{<länge>}
-\end{lstlisting}
-lässt sich \lstinline=\setatomsep{<länge>}= für die \CF-Formeln \emph{innerhalb} der \mC-Umgebungen einstellen. Standard ist \SI{1.8}{\emlength}. Lassen Sie das Argument leer, wird die Voreinstellung wiederhergestellt.
-\index{setbondlength|)}
-
-\subsection{setbondshape}\label{ssec:setbondshape}\index{setbondshape|(}\index{Befehle!setbondshape}
-Mit
-\begin{lstlisting}
- \setbondshape{<basislänge>}{<strichdicke>}{<strichabstand>}
-\end{lstlisting}
-lässt sich \lstinline=\setcrambond{<basislänge>}{<strichdicke>}{<strichabstand>}= für die \CF-Formeln \emph{innerhalb} der \mC-Umgebungen einstellen. Standard sind in dieser Reihenfolge \SI{3}{\pt}, \SI{.5}{\pt} und \SI{1}{\pt}. Lassen Sie die Argumente leer, wird die jeweilige Voreinstellung wiederhergestellt.
-\index{setbondshape|)}
-
-\subsection{setmergelength}\label{ssec:setmergelength}\index{setmergelength|(}\index{Befehle!setmergelength}
-\NEU%
-Mit
-\begin{lstlisting}
- \setmergelength{<länge>}
-\end{lstlisting}
-kann die Länge des Pfeils beim \lstinline+\merge+-Befehl geändert werden. Genauer ist damit die Länge ab Zusammenführung bis zur Pfeilspitze gemeint (siehe \ref{ssec:merge}). Lässt man das Argument leer, wird die Voreinstellung (\SI{3}{\emlength}) wiederhergestellt.
-\index{setmergelength|)}
-
-\subsection{setrcndist}\label{ssec:setrcndist}\index{setrcndist|(}\index{Befehle!setrcndist}
-Die einzelnen Nodes, in denen die Reaktanden und Pfeile geschrieben werden, haben in den \mC-Umgebungen einen bestimmten Abstand voneinander. Per Default ist das \SI{1}{\emlength}. Wenn Sie das ändern wollen, können Sie das mit
-\begin{lstlisting}
- \setrcndist{<länge>}
-\end{lstlisting}
-machen. Lassen Sie das Argument leer, wird der Abstand wieder auf \SI{1}{\emlength} zurückgesetzt.
-\begin{SideBySideExample}
- \setrcndist{2em}
- \begin{rxn}
- \reactant{A}\arrow{}{}
- \end{rxn}
- \setrcndist{}
- \begin{rxn}
- \reactant{A}\arrow{}{}
- \end{rxn}
-\end{SideBySideExample}
-\index{setrcndist|)}
-
-\subsection{setrxnalign/setschemealign}\label{ssec:setrxnalign}\label{ssec:setschemealign}\index{setrxnalign|(}\index{Befehle!setrxnalign}\index{setschemealign|(}\index{Befehle!setschemealign}
-Mit den Befehlen
-\begin{lstlisting}
- \setrxnalign{<alignment>}
- \setschemealign{<alignment>}
-\end{lstlisting}
-lässt sich das Default-Ausrichtungsverhalten (siehe \ref{sssec:rxn_optionen} \&\ \ref{sssec:rxnscheme_optionen}) der Umgebungen festlegen. Es gibt die Einstellungsmöglichkeiten \lstinline=left=, \lstinline=center= oder \lstinline=right=.
-
-Lassen Sie das Argument leer, wird die Defaulteinstellung von \mC (\lstinline=center=) wiederhergestellt.
-\begin{Example}
- \setrxnalign{right}
- \begin{rxn}
- \reactant{A}\arrow{}{}\reactant{B}
- \end{rxn}
- \setrxnalign{}
- \begin{rxn}
- \reactant{A}\arrow{}{}\reactant{B}
- \end{rxn}
-\end{Example}
-\index{setrxnalign|)}\index{setschemealign|)}
-
-\subsection{setschemename}\label{ssec:setschemename}\index{setschemename|(}\index{Befehle!setschemename}
-Siehe \ref{par:rxnscheme_name}.
-\index{setschemename|)}
-
-\subsection{transition}\label{ssec:transition}\index{transition|(}\index{Befehle!transition}
-\lstinline=\transition= funktioniert genau wie \lstinline=\reactant= (siehe \ref{ssec:reactant}).
-\begin{lstlisting}
- \transition[<pos>,<name>,<tikz>]{<formel>}
-\end{lstlisting}
-\begin{SideBySideExample}
- \begin{rxn}
- \reactant{ \ce{H2 + I2} }
- \arrow[below,<=>,.5]{}{}
- \transition[below]{ \chemfig[dotted][]{H?-I-[2]I-[4]H?} }
- \arrow[below,<=>,.5]{}{}
- \reactant[below]{ \ce{2 HI} }
- \end{rxn}
-\end{SideBySideExample}
-\index{transition|)}
-
-\section{Nachwort}
-\mC steckt noch in den Kinderschuhen. Das bedeutet, dass vermutlich noch eine ganze Reihe von Bugs enthalten sind. Bestimmt fehlt auch noch das eine oder andere Feature, das nützlich wäre. Da ich das Paket nur in meiner Freizeit testen und verbessern kann, bin ich über \emph{jede} Art von Feedback sehr froh. Wenn Ihnen \mC gefällt, dann helfen Sie doch, es zu verbessern, indem Sie mir Ihre Erfahrungen mitteilen.
-
-Viel Spaß mit \mC!
-
-\par\vspace{.5cm}\hspace{.5cm}Clemens Niederberger, Berlin, \mCdate{de}
-
-\section{Dank}
-Ich schulde Dank für Bugreports und Vorschläge:
-
-F.\,Chervet, Ferghun, V.\,Garibal und C.\,Tellechea (der mir ein paar essentielle Dinge klar machte).
-
-\renewcommand{\indexname}{Stichwortverzeichnis}
-\printindex
-\end{document} \ No newline at end of file
diff --git a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.pdf b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.pdf
index 933e61fee3c..82d10305f36 100644
--- a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.pdf
+++ b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.tex b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.tex
index c318a50d0e2..be6a2d07f0d 100644
--- a/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.tex
+++ b/Master/texmf-dist/doc/latex/mychemistry/mychemistry_en.tex
@@ -1,428 +1,210 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ------------------------------------------------------------------------------------- %
-% - myChemistry - mychemistry_en.tex -------------------------------------------------- %
-% - Create reaction schemes with LaTeX and ChemFig ------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - Clemens Niederberger -------------------------------------------------------------- %
-% - 2011/04/27 ------------------------------------------------------------------------ %
-% ------------------------------------------------------------------------------------- %
-% - http://www.niederberger-berlin.net/2011/02/latex-mychemistry/ --------------------- %
-% - kontakt@niederberger-berlin.net --------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - If you have any ideas, questions, suggestions or bugs to report, please feel free - %
-% - to contact me. -------------------------------------------------------------------- %
-% ------------------------------------------------------------------------------------- %
-% - Copyright 2011 Clemens Niederberger - %
-% - - %
-% - This work may be distributed and/or modified under the - %
-% - conditions of the LaTeX Project Public License, either version 1.3 - %
-% - of this license or (at your option) any later version. - %
-% - The latest version of this license is in - %
-% - http://www.latex-project.org/lppl.txt - %
-% - and version 1.3 or later is part of all distributions of LaTeX - %
-% - version 2005/12/01 or later. - %
-% - - %
-% - This work has the LPPL maintenance status `maintained'. - %
-% - - %
-% - The Current Maintainer of this work is Clemens Niederberger. - %
-% - - %
-% - This work consists of the files mychemistry.sty, mychemistry_de.tex, - %
-% - mychemistry_en.tex, examples.tex - %
-% ------------------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\documentclass[DIV10,titlepage,toc=index]{scrartcl}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Pakete ---------------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{etoolbox}
-\usepackage{scrhack} % verbessert KOMAs Zusammenspiel mit floats
-\usepackage{emerald} % Schriftarten
-\usepackage[utf8]{inputenx} % Zeichenkodierung: Eingabe
-\usepackage[T1]{fontenc} % Text-Ausgabe-Codierung
-\usepackage{textcomp,mathcomp}
-\usepackage[makeindex]{splitidx} % Index; Kompilieren: makeindex -sl index.ist *.idx
-\usepackage[english]{babel} % Sprache
-\usepackage{xspace,paralist} % xspace und Listen
-\usepackage{siunitx,booktabs}
- \DeclareSIUnit{\emlength}{em}
- \DeclareSIUnit{\pt}{pt}
- \sisetup{separate-uncertainty = true,
- exponent-product = \cdot,
- per-mode = symbol}
-\usepackage{listings,fancyvrb} % wortwörtliche Anzeige
- \newcommand{\vitem}[1][]{\SaveVerb[aftersave={\item[\textnormal{\UseVerb[#1]{vsave}}]}]{vsave}}
-\usepackage[perpage,multiple]{footmisc} % Fußnoten
-\usepackage[ngerman]{varioref} % flexibles Referenzieren
- \labelformat{section}{section #1}
- \labelformat{subsection}{section #1}
- \labelformat{subsubsection}{section #1}
- \labelformat{table}{table #1}
-\usepackage[dvipsnames]{xcolor} % Farbe
- \colorlet{code}{RawSienna}
- \xdefinecolor{MyDarkRed}{rgb}{0.4392,0.0627,0.0627}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Anzeige des Inhaltsverzeichnisses ------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{titletoc}
-\titlecontents{section} [6.5pc] % SECTION-ANZEIGE
- {\renewcommand\familydefault{ppl}\addvspace{2pc}\bfseries
- \color{MyDarkRed}\titlerule[2pt]\filright\normalcolor\nobreak} % davor
- {\contentslabel
- [\textsc{Section}\
- \thecontentslabel]{6.5pc}} % nummerierter Eintrag
- {\hspace{-6.5pc}\scshape\thecontentslabel} % unnummerierter Eintrag
- {\hfill\contentspage}
- [\addvspace{3pt}\renewcommand\familydefault{ppl}] % danach
-%%
-\newcommand{\xquad}{\hspace{1em plus.4em minus.4em}}
-\titlecontents*{subsubsection}[6pc] % SUBSUBSECTION-ANZEIGE
- {\footnotesize\itshape}
- {}
- {}
- {,~\thecontentspage}
- [\xquad\textbullet\xquad]
- {}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Hyperlinks ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{hyperref}
- \hypersetup{colorlinks=true, % Setup der Hyperlinks und des pdf
- linkcolor=MyDarkRed!20!red,
- urlcolor=blue!70,
- plainpages=false,
- bookmarksopen=true,
- bookmarksopenlevel=2,
- bookmarksnumbered=true,
- pdfstartview=FitH,
- pdfauthor={Clemens Niederberger},
- pdftitle={myChemistry - english documentation},
- pdfsubject={Create reaction schemes with LaTeX and ChemFig},
- pdfkeywords={myChemistry},
- pdfcreator={LaTeX}
+% arara: pdflatex
+% arara: pdflatex
+% arara: makeindex: { sort: on, style: mychemistry_en.ist }
+% arara: pdflatex
+% --------------------------------------------------------------------------
+% the MYCHEMISTRY package
+%
+% create reaction schemes with LaTeX and chemfig
+%
+% --------------------------------------------------------------------------
+% Clemens Niederberger
+% Web: https://www.bitbucket.org/cgnieder/mychemistry
+% E-Mail: contact@mychemistry.eu
+% --------------------------------------------------------------------------
+% If you have any ideas, questions, suggestions or bugs to report, please
+% feel free to contact me.
+% --------------------------------------------------------------------------
+% Copyright 2011--2012 Clemens Niederberger
+%
+% This work may be distributed and/or modified under the
+% conditions of the LaTeX Project Public License, either version 1.3
+% of this license or (at your option) any later version.
+% The latest version of this license is in
+% http://www.latex-project.org/lppl.txt
+% and version 1.3 or later is part of all distributions of LaTeX
+% version 2005/12/01 or later.
+%
+% This work has the LPPL maintenance status `maintained'.
+%
+% The Current Maintainer of this work is Clemens Niederberger.
+%
+% This work consists of the files modiagram.sty, modiagram_en.tex,
+% README and the derived file modiagram_en.pdf.
+% --------------------------------------------------------------------------
+% \errorcontextlines=999
+\documentclass[toc=index,DIV10]{cnpkgdoc}
+\docsetup{
+ pkg = [draft]mychemistry,
+ subtitle = Create Reaction Schemes with \LaTeXe\ and Chemfig ,
+ code-box = {
+ skipbelow = .5\baselineskip plus .5ex minus .5ex ,
+ skipabove = .5\baselineskip plus .5ex minus .5ex ,
+ roundcorner = 3pt ,
+ innerleftmargin = 1.5em ,
+ innerrightmargin = 1.5em
}
-\usepackage[english,color=MyDarkRed]{mychemistry} % myChemistry
- \renewcommand\thebeispiel{\arabic{beispiel}} % chemexec angepasst
- \labelformat{beispiel}{example #1}
- \labelformat{rxnfloat}{scheme #1}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Listings anpassen ----------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\fvset{numbers=left,numbersep=3pt,xleftmargin=20pt,gobble=0,numberblanklines=true}
-\lstset{literate={ä}{{\"a}}1 {ö}{{\"o}}1 {ü}{{\"u}}1 {Ä}{{\"A}}1 {Ö}{{\"O}}1 {Ü}{{\"U}}1 {ß}{{\ss}}1}
-\lstset{
- language=[LaTeX]TeX,
- basicstyle={\ttfamily}, % Grundstil
- extendedchars=true,
- numbers=left, % Zeilennummern
- numberstyle=\tiny, % Größe des Zeilennummern
- numberblanklines=true, % Leerzeilen nummerieren
- gobble=0, % das erste Leerzeichen abschneiden
- xleftmargin=20pt, % Einrückung links
- breaklines=true, % Zeilenumbruch
- moredelim=[is][\color{red!25!purple}]{!!}{!!},% Hervorhebung
- commentstyle={\color[named]{Gray}},
- emph={begin,end}, % Umgebungen hervorheben
- emphstyle=\color{red},
- keywordstyle=\color{code},
- keywordstyle=[20]\color{blue},
- morekeywords=[20]{rxn,rxnfloat,rxnscheme,tikzpicture},
- texcsstyle=[30]\color{code},
- moretexcs=[30]{anywhere,arrow,branch,chemabove,chemand,chembelow,chemfig,chemmove,chemname,chemrel,chemsign,ce,color,compound,declarecompound,draw,dummy,elmove,floatplacement,floatstyle,Hpl,Hyd,lewis,listof,makeinvisible,makevisible,marrow,mCsetup,merge,mesomeric,node,nu,om,op,ox,pgfpositionnodelater,reactant,restylefloat,setarrowlabel,setarrowlength,setarrowline,setatomsep,setatomsize,setbondlength,setbondshape,setcrambond,setmergelength,setrcndist,setrxnalign,setschemealign,setschemename,si,SI,textcolor,transition,vflipnext},
- fancyvrb=true
- }
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Kopf- und Fußzeile ---------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\usepackage{scrpage2}
-\pagestyle{scrheadings}
-\setheadwidth{textwithmarginpar}
-\automark{section}
-\ihead{\mC v\mCversion}
-\ohead{Manual}
-\ifoot{\small\color{gray}-~page~\thepage~-}
-\cfoot{}
-\ofoot{}
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Komascript ------------------------------------------------------------------------ %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\setkomafont{disposition}{\rmfamily\bfseries} % Gewicht fett und Schriftart roman
-
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - neue Befehle ---------------------------------------------------------------------- %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% - Hyperlinks in Listings ------------------------------------------------------------ %
-% - auf Basis von Code usenet: comp.text.tex ------------------------------------------ %
-\makeatletter
-\AtBeginEnvironment{VerbatimOut}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginEnvironment{Verbatim}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginEnvironment{SideBySideExample}{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}
-\AtBeginDocument{\preto\FV@VerbatimBegin{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}}
-\AtBeginDocument{\preto\FV@VerbatimBegin{\let\lsthk@OutputBox\lsthk@OutputBox@H@@k\let\lstbasicfont\footnotesize}}
-\providerobustcmd*\ifrefundefined [1]{%
- \begingroup%
- \csname @safe@activestrue\endcsname%
- \expandafter\endgroup\csname @\ifcsname r@#1\endcsname second\else first\fi oftwo\endcsname
-}% \ifrefundefined
-\def\lsthk@OutputBox@H@@k{%
- \begingroup%
- \let\lst@UM\@empty%
- \edef\@tempc{ssec:\detokenize\expandafter{\the\lst@token }}%\edef
- \ifrefundefined{\@tempc}%
- \endgroup%
- \sethyperlistings%
-}% \lsthk@OutputBox@fcltxH@@k
-\def\sethyperlistings {\global\let \hyperlistingsreference =\@tempc
- \endgroup \aftergroup \dohyperlistings }% after \hbox
-\def\dohyperlistings {\def\lst@alloverstyle ##1{\hyperlistings ##1}}
-\def\hyperlistings{%
- \setbox\@tempboxa\hbox%
- \bgroup%
- \rlap{\hypersetup {linkcolor=.}\relax\fboxrule\z@%
- \hyperref[\hyperlistingsreference]{\boxframe{\wd\@tempboxa}{\ht\@tempboxa}{\dp\@tempboxa}}}%
- \unhbox\@tempboxa%
- \egroup%
-}% \hyperlistings
-\let\lsthk@OutputBox\lsthk@OutputBox@H@@k
-% - Beispiele ------------------------------------------------------------------------- %
-% - auf Basis der Beispiele in der fancyvrb-Dokumentation ----------------------------- %
-\newcommand{\BeginExample}{%
- \VerbatimEnvironment
- \begin{VerbatimOut}[gobble=1]{\jobname.tmp}}
-
- \newcommand{\BelowExample}[1]{%
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-#1}
-% - Code, Ergebnis rechts ------------------------------------------------------------- %
-\newcommand{\SideBySide@Example}[1]{%
-\setlength{\parindent}{0pt}%
-\begin{minipage}[c]{.48\textwidth}
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-\end{minipage}%
-\hspace*{2mm}
-\begin{minipage}[c]{.48\textwidth}
- #1
-\end{minipage}
}
-\def\SideBySideExample{%
- \catcode`\^^M=\active
- \@ifnextchar[{\catcode`\^^M=5\beispiel\vspace*{1mm}\SideBySideExample@}%
- {\catcode`\^^M=5\beispiel\vspace*{1mm}\SideBySideExample@@}}
-\def\SideBySideExample@[#1]{#1\SideBySideExample@@}
-\def\SideBySideExample@@{\BeginExample}
-\def\endSideBySideExample{%
- \end{VerbatimOut}%
- \SideBySide@Example{\input{\jobname.tmp}}\vspace*{1mm}\endbeispiel}
-% - Code, Ergebnis danach ------------------------------------------------------------- %
-\newcommand{\@Example}[1]{%
-\setlength{\parindent}{0pt}%
-\begin{minipage}{\textwidth}
- \VerbatimInput[numbersep=3pt,fontsize=\footnotesize,
- numbers=left,xleftmargin=5mm,xrightmargin=0pt]{\jobname.tmp}
-\end{minipage}%
-
-\smallskip
-\begin{minipage}{\textwidth}
- #1
-\end{minipage}
+\usepackage{chemnum}
+\usepackage{fnpct}
+\usepackage{booktabs}
+\usepackage{siunitx}
+
+\addcmds{
+ @addtoreset,
+ anywhere,
+ arrow,
+ branch,
+ celsius,
+ ch,
+ chemabove,
+ chemand,
+ chembelow,
+ chemfig,
+ chemname,
+ cmpd,
+ colorlet,
+ command,
+ draw,
+ elmove,
+ floatstyle,
+ fpch,
+ fplus,
+ fscrm,
+ fscrp,
+ Hpl,
+ iupac,
+ lewis,
+ Lewis,
+ listof,
+ makeinvisible,
+ makevisible,
+ marrow,
+ mch,
+ mCsetup,
+ mech,
+ mesomeric,
+ N,
+ node,
+ para,
+ pch,
+ phantom,
+ reactant,
+ restylefloat,
+ setarrowlabel,
+ setarrowlength,
+ setarrowline,
+ setatomsep,
+ setatomsize,
+ setbondlength,
+ setbondshape,
+ setcrambond,
+ setmergelength,
+ setrcndist,
+ setrxnalign,
+ setschemealign,
+ setschemename,
+ SI,
+ text,
+ therxnscheme,
+ tikzset,
+ trans,
+ transition
}
-\def\Example{%
- \catcode`\^^M=\active
- \@ifnextchar[{\catcode`\^^M=5\beispiel\vspace*{1mm}\Example@}%
- {\catcode`\^^M=5\beispiel\vspace*{1mm}\Example@@}}
-\def\Example@[#1]{#1\Example@@}
-\def\Example@@{\BeginExample}
-\def\endExample{%
- \end{VerbatimOut}%
- \@Example{\input{\jobname.tmp}}\vspace*{1mm}\endbeispiel}
-\makeatother
-
-% - weitere Makros -------------------------------------------------------------------- %
-\newcommand{\mC}{{\color{MyDarkRed}\ECFJD my\-Che\-mis\-try}\xspace} % Paketname
-\newcommand{\CF}{{\ECFAugie ChemFig}\xspace} % ChemFig in der originalen Schrift
-\newcommand{\eg}{\mbox{e.\,g.}\xspace}
-\newcommand{\TikZ}{\mbox{Ti{\bfseries\itshape k}Z}\xspace}
-\newcommand\NEU[1][0pt]{\leavevmode\llap{\footnotesize\ECFTeenSpirit\color{red}New\kern\dimexpr20pt+#1\relax}}
-\newlength{\tmplength}
-% - für Beispiele --------------------------------------------------------------------- %
-\newcommand{\abovearrow}{\tikz\node[draw,minimum width=3em,minimum height=1.5em,blue]{\footnotesize above};}
-\newcommand{\belowarrow}{\tikz\node[draw,minimum width=3em,minimum height=1.5em,red]{\footnotesize below};}
-\newcommand{\substance}{\tikz\node[draw,minimum width=5em,minimum height=3em]{};}
+\usepackage{makeidx}
+\usepackage{filecontents}
+\begin{filecontents*}{\jobname.ist}
+ heading_prefix "{\\bfseries "
+ heading_suffix "\\hfil}\\nopagebreak\n"
+ headings_flag 1
+ delim_0 "\\dotfill "
+ delim_1 "\\dotfill "
+ delim_2 "\\dotfill "
+ delim_r "\\nohyperpage{\\textendash}"
+ suffix_2p "\\nohyperpage{\\,f.}"
+ suffix_3p "\\nohyperpage{\\,ff.}"
+\end{filecontents*}
+
+\makeindex
\begin{document}
-\begin{titlepage}
- % inspired by the titlepage of chemfig's documentation
- \begin{tikzpicture}[remember picture,overlay]
- \shade [color=MyDarkRed,right color=white](current page.south west) rectangle ([yshift=3cm,xshift=-3cm]current page.center);
- \shade[top color=black,bottom color=MyDarkRed]([yshift=7cm]current page.east)rectangle([yshift=2.5cm]current page.west);
- \node[text width=\textwidth,opacity=.15,yshift=-5.3cm] at (current page.center) {%
-\begin{verbatim}
- \begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[6]OH)-CH_3}
- }
- \arrow[a.20]{}{}
- \reactant[20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}
- \chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}
- {10:4mm}{e2}{-10:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]
- *6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3}
- }
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)
- (-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}
- {170:4mm}{e4}{-170:4mm}
- }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{
- \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-
- \chembelow{C}{\oplus}(-[2]CH_3)-CH_3}
- }
- \end{rxn}
-\end{verbatim}%
-};
- \end{tikzpicture}
- \begin{center}
- \scalebox{4}{\mC}\par
- \Large v\mCversion\par\bigskip
- \footnotesize\mCdate{en}\par
- \normalsize Clemens Niederberger\par\vskip1.5cm
- \color{white}\huge Creating reaction schemes with \LaTeX\ and \CF%
- \end{center}
- \vskip3cm
-\begin{rxn}[,.7]
- \setatomsep{1.5em}\footnotesize
- \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} }
- \arrow[a.20]{}{}
- \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{}
- \arrow[a.-20,-|>]{}{}
- \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} }
- \arrow[,,1.42]{$-\ce{H2O}$}{}
- \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} }
-\end{rxn}
-\end{titlepage}
-
-\tableofcontents
-
-\section{About}
-\subsection{Changes}
-The most recent changes are marked with {\ECFTeenSpirit\color{red}New}.
-
-\subsubsection{Version 1.2}
-Since v1.2 there are some new features. The main part plays behind the scenes: the wrong arrow- and branch-alignments have been corrected. \textbf{Due to these changes \mC now needs Version 2.10 of \TikZ (or pgf, actually}, see \ref{ssec:voraussetzungen}).
-
-There are some new "frontend" features as well. For one thing there are some new package options (see \ref{ssec:paketoptionen}). Additionally the arrows have got two new keys (see \ref{ssec:arrow}).
-
-The environments have gained a few features, with which they can be customized, too (see \ref{sssec:rxn_optionen}, \ref{sssec:rxnscheme_optionen} and \ref{ssec:setrcndist}).
-
-Last but not least since v1.2 \mC underlies LPPL version 1.3 or later.
-
-\subsubsection{Version 1.3}
-The commands \lstinline+\branch+, \lstinline+\mesomeric+, \lstinline+\reactant+ and \lstinline+\transition+ now cannot only accept alignment as optional argument but \TikZ keys as well. Also the second mandatory Argument \lstinline+<anchor>+ now is an optional one. So the first argument still is alignment, the second is the anchor name and in the third you can use arbitrary \TikZ keys.
-\begin{lstlisting}
- \command[<pos>,<anchor>,<tikz>]{}
-\end{lstlisting}
-Version 1.2 explicitly needed a given alignment, if one wanted to use \TikZ keys, even with default alignment. Since v\mCversion\ this isn't required any more.
-\begin{lstlisting}
- % up to version 1.2:
- \reactant{\ce{Br2}}{}\arrow{$h\nu$}{}\reactant!![right,draw,inner sep=5pt]!!{\ce{2 \lewis{0.,Br}}}{}
- % since version 1.3:
- \reactant{\ce{Br2}}\arrow{$h\nu$}{}\reactant!![,,draw,inner sep=5pt]!!{\ce{2 \lewis{0.,Br}}}
-\end{lstlisting}
-The commands to customize \mC have been renamed and the command\linebreak\lstinline+\mCsetup+ has been added. Now you can customize \mC using only one command. See \ref{ssec:setarrowlength}, \ref{ssec:setatomsize}, \ref{ssec:setbondlength}, \ref{ssec:setbondshape} and \ref{ssec:mCsetup}.
-
-There is the new command \lstinline+\chemand+, which produces a $+$, see \ref{ssec:chemand}.
-
-And you might find this one nice: every \mC command in a listing in this do\-cu\-mentation is a hyperlink referring to the corresponding entry in the command reference.
-
-\subsubsection{Version 1.4}
-The command \lstinline+\merge+ has been rewritten. Now the arrow can be labeled.
-
-The main purpose of the command \lstinline+\dummy+ now is obsolete. The command still exists, though.
-
-Both environments \lstinline+rxn+ and \lstinline+rxnscheme+ have changed regarding the usage of their options, see \ref{sssec:rxn_optionen} and \ref{sssec:rxnscheme_optionen}.
-
-The keys of the \lstinline+\arrow+ command now are options, so the syntax of the command now is consistent with the syntax of the other commands. Then there are three new arrow types, see \ref{ssec:arrow}. Also new is the appearance of the arrows and the possibility of customizing the line thickness of the arrows, see \ref{ssec:setarrowline}.
-
-There is another new command \lstinline+\anywhere+ (\ref{ssec:anywhere}), with which text or formul\ae\ can be placed off the chain.
-
-\subsubsection{Version \mCversion}
-\NEU%
-Much happened in the background. This also provides some new features in the foreground. Most importantly is a new handling of the positioning of objects. All objects (reactants, arrows, branches \ldots) now cannot only be positioned with key words like \lstinline+right below+ but by using an actual angle.
-
-There are the new arrow types \lstinline+<=>>+ and \lstinline+<<=>+ which indicate an imbalanced equilibrium.
-
-The default placement identifier of \lstinline+rxnscheme+ has been changed from \lstinline+H+ to \lstinline+htp+.
-
-The example section has been moved from this manual to the file \texttt{examples.tex} or \texttt{examples.pdf}, resp.
-
-The commands \lstinline+\arrow+, \lstinline+\reactant+, \lstinline+\mesomeric+, \lstinline+\transition+, \lstinline+\anywhere+, \lstinline+\dummy+, \lstinline+\branch+ and \lstinline+\chemand+ are only defined inside the \lstinline+rxn+ and \lstinline+rxnscheme+ environments.
-
-\subsection{Licence}
-\mC v\mCversion\ underlies the The \LaTeX\ project public license\\(\url{http://www.latex-project.org/lppl.txt}).
-
-\subsection{Requirements}\label{ssec:voraussetzungen}\index{requirements|(}
-In order to function properly \mC needs some packages to be available.
-\begin{description}
- \item[\CF]\index{requirements!ChemFig@\CF} without it why would you use \mC?
- \item[ifthen]\index{requirements!ifthen} for internal queries;
- \item[calc]\index{requirements!calc} for internal calculations;
- \item[xkeyval]\index{requirements!xkeyval} package options and command keys are created with this package;
- \item[float]\index{requirements!float} the \lstinline=rxnscheme= environment is defined with this package;
- \item[pgf/\TikZ]\index{requirements!pgf}\index{requirements!TikZ@\TikZ} pgf actually isn't just one package but a whole bundle. They are the basis layer for \TikZ. \mC needs at least the version from 09/08/2010\footnote{\url{http://sourceforge.net/projects/pgf/files/}}. More precisely: the command \lstinline=\pgfpositionnodelater= must exist. Even more precisely: only the \lstinline+\arrow+ key \lstinline+both+ (see \ref{ssec:arrow}) needs \lstinline=\pgfpositionnodelater=. If you don't use this option, \mC should work nicely with pgf v2.00. Older versions have not been tested.
-\end{description}
-\index{requirements|)}
-
-\subsection{The Idea}
-Since \CF was published August 2010, there is a flexible solution for creating organic structures. With \CF and `mhchem' one is able to create nearly all structural and molecular formulars that a chemist needs. There is one thing, though, in which `ochem' still beats \CF: creating reaction mechanisms. This is where \mC comes in.
-
-\mC loads the packages
-\begin{itemize}
- \item \CF\footnote{by Christian Tellechea, \url{http://www.ctan.org/tex-archive/macros/generic/chemfig/}}\index{ChemFig@\CF},
- \item `mhchem'\footnote{by Martin Hensel, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/mhchem/}}\index{mhchem} in version 3, when ist exists,
- \item `chemexec'\footnote{by me, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/chemexec/}}\index{chemexec}, when it exists, and
- \item `chemcompounds'\footnote{by Stephan Schenk, \url{http://www.ctan.org/tex-archive/macros/latex/contrib/chemcompounds/}}\index{chemcompounds}, when ist exists.
-\end{itemize}
-How these packages work, you can read in their documentations. Commands provided by these packages are for example
-\begin{itemize}
- \item \lstinline=\ce{}= (mhchem)\index{mhchem}
- \item \lstinline=\ox{}{}=, \lstinline=\om[]=, \lstinline=\op[]=, \lstinline=\Hyd=, \lstinline=\Hpl= (chemexec)\index{chemexec}
- \item \lstinline=\chemfig[][]{}=, \lstinline=\chemrel[]{}=, \lstinline=\chemsign[]{}=, \lstinline=\lewis{}= (\CF)\index{ChemFig@\CF}
- \item \lstinline=\declarecompound[]{}=, \lstinline=\compound{}= (chemcompounds)\index{chemcompounds}.
-\end{itemize}
-Some of these commands are used in the examples of this documentation \textit{without being mentioned explicitly}.
-
-Above all, \mC provides commands for creating reaction mechanisms.
+\section{Licence and Requirements}\label{ssec:voraussetzungen}
+Permission is granted to copy, distribute and/or modify this software under the
+terms of the LaTeX Project Public License, version 1.3 or later
+(\url{http://www.latex-project.org/lppl.txt}). This package has the status
+``maintained.''
+
+\mychemistry needs and loads the packages \paket{etoolbox}, \paket{float},
+\paket{xkeyval}, \paket{chemmacros} and \paket{chemfig}. It also loads the
+TikZ-libraries \code{arrows}, \code{positioning}, \code{decorations.pathmorphing},
+\code{shapes}, \code{calc}, \code{matrix}, \code{chains}, \code{scopes} and
+\code{intersections}.
+
+If the package is available \mychemistry also loads \paket*{translator}\footnote{%
+Part of the \paket*{beamer} bundle}.
+
+\section{Changes}
+With v1.99 (=v2.0beta) package dependencies have changed so that \mychemistry
+loads noticably less packages than before. Most important for you: it does not
+load \paket{mhchem} any more. This documentation uses \paket{chemmacros} instead
+which is loaded by \mychemistry.
+
+There are now considerably less package options as most of them are not needed
+any more.
+
+\mychemistry now provides proper language support, \eg, when used together with
+\paket{babel}.
+
+New is the command \cmd{setelmove}. The command \cmd{makevisible} now only has
+an effect if the new option \key{draft} is used.
+
+\section{Background}
+\mychemistry provides two environments within which the mechanisms are created.
+Both environments basically are \code{tikzpicture} environments. When this package
+first was written \paket{chemfig} lacked the possibility of creating reaction
+schemes itself. This was the motivation for me to get started on \mychemistry
+which then rapidly grew and until now has its users.
+
+The background has changed in August 2011, though. Then \paket{chemfig} v1.0 was
+published and now provides simple but powerful macros to create reactions schemes.
+They seem to to be used very often but I am advertising as much as I can. Anyway,
+since then \mychemistry can be considered obsolete and is not actively developed
+any more. The current release 1.99 (= 2.0beta) was due to an incompatibilty with
+\paket{pdfpages} and a complete robustification of various parts of the code.
+
+\emph{Other than bug fixes this package will very likely \emph{not} be updated
+any more}!
+
+\section{Package options}\label{sec:paketoptionen}
+\mychemistry has a few package options.
+\begin{beschreibung}
+ \option{strict} With this option all warning messages are turned into error
+ messages.
+ \option{draft} This option is an alias to \key{strict}. Additionally it enables
+ the \cmd{makevisible} command.
+ \option{final} This option is the opposite to \key{draft}, \ie, most error
+ messages will be issued as warnings. It also disables the \cmd{makevisible}
+ command.
+ \option{placement}{<value>} Changes the default floating behaviour of \env{rxnscheme},
+ see section~\ref{ssec:rxnscheme}.
+\end{beschreibung}
\section{Usage}
-\subsection{Background}
-\mC provides two environments within which the mechanisms are created. Both environments basically are \lstinline+tikzpicture+ environments. One might ask oneself: why? You can do loads of stuff with \CF already. And \TikZ provides all the possibilities one could ask for. But since I'm a lazy guy I wrote several macros providing \TikZ commands, I often used. They got so many and got more and more possibilities to adjust, that I bundled them into this package. Of course you can still use \TikZ and stay more flexible with it, if you like.
-
\subsection{Basic Principle}
-Within the \lstinline+tikzpicture+ reactants and arrows are placed as nodes on a \lstinline+chain+\footnote{Provided by the tikzlibrary `chains'}.
-\begin{SideBySideExample}
+Within the \code{tikzpicture} reactants and arrows are placed as nodes on a
+\code{chain}\footnote{Provided by the tikzlibrary `chains'}.
+
+\begin{beispiel}
\begin{tikzpicture}[start chain]
\node [on chain] {A};
\node [on chain] {B};
\node [on chain] {C};
\end{tikzpicture}
-\end{SideBySideExample}
+\end{beispiel}
This way there are several possibilities to place the nodes relative to the others.
-\begin{SideBySideExample}
+\begin{beispiel}
\begin{tikzpicture}[start chain=going right,node distance=5mm]
\node [draw,on chain] {Hello};
\node [draw,on chain] {World};
@@ -430,9 +212,10 @@ This way there are several possibilities to place the nodes relative to the othe
\node [draw,on chain] {this};
\node [draw,on chain] {is};
\end{tikzpicture}
-\end{SideBySideExample}
-Above all \mC uses the possibility of creating branches to the chain.
-\begin{SideBySideExample}
+\end{beispiel}
+
+Above all \mychemistry uses the possibility of creating branches to the chain.
+\begin{beispiel}
\begin{tikzpicture}[start chain=going right,node distance=5mm]
\node [draw,on chain] {A};
\node [draw,on chain] {B};
@@ -446,30 +229,36 @@ Above all \mC uses the possibility of creating branches to the chain.
}
\node [draw,on chain] {C};
\end{tikzpicture}
-\end{SideBySideExample}
-You don't have to understand that mechanism in detail, but you should remember the placement commands in the last example, because \mC uses them in the same way.
+\end{beispiel}
+You don't have to understand that mechanism in detail but you should remember the
+placement commands in the last example, because \mychemistry uses them in the same
+way.
-In some of the examples in this documentation the nodes are boxed with a coloured frame (see \ref{ssec:makevisible}). This is done so one can see, which size they have and which impact changes of the alignment have on them.
+In some of the examples in this documentation the nodes are boxed with a coloured
+frame (see section~\ref{ssec:makevisible}). This is done so one can see, which size
+they have and which impact changes of the alignment have on them.
\subsection{How does it work?}
\subsubsection{Basic Commands}
-There are three basic commands:\index{reactant}\index{rxn}\index{arrow}
-\begin{lstlisting}
- \begin{rxn}[<alignment>,<scale factor>]
- \reactant[<pos>,<name>,<tikz>]{<formula>}
- \arrow[<pos>,<type>,<length factor>,<name>,both,<tikz>]{<above>}{<below>}
- \end{rxn}
-\end{lstlisting}
-Schemes are created within the \lstinline+rxn+ environment. There you place reactants and arrows.
-\begin{SideBySideExample}
+There are two basic commands:
+\begin{beschreibung}
+ \Befehl{reactant}[<pos>,<name>,<tikz>]{<formula>}
+ \Befehl{arrow}[<pos>,<type>,<length factor>,<name>,both,<tikz>]{<above>}\ma{<below>}
+\end{beschreibung}
+
+Schemes are created within the \env{rxn}{} environment. There you place reactants
+and arrows.
+\begin{beispiel}
\begin{rxn}
\reactant{ \chemfig{-[::30]-[::-60]OH} }
\arrow{Ox.}{}
\reactant{ \chemfig{-[::30]=_[::-60]O} }
\end{rxn}
-\end{SideBySideExample}
-When you don't use options reactants and arrows always are put to the right of the last object. With the option \lstinline+<pos>+ you can change this behaviour.
-\begin{SideBySideExample}
+\end{beispiel}
+
+When you don't use options reactants and arrows always are put to the right of
+the last object. With the option \code{<pos>} you can change this behaviour.
+\begin{beispiel}
% positioning using key words
\begin{rxn}
\reactant{ \chemfig{-[::30]-[::-60]OH} }
@@ -482,12 +271,13 @@ When you don't use options reactants and arrows always are put to the right of t
\arrow[180]{}{Ox.}
\reactant[180]{ \chemfig{-[::30]=_[::-60]O} }
\end{rxn}
-\end{SideBySideExample}
+\end{beispiel}
+
\begin{table}
\centering
- \begin{tabular}{>{\tt}lSS}
+ \begin{tabular}{>{\ttfamily}l*{2}{>{$}r<{$}}}
\toprule
- {\normalfont key word} & {pos. angle} & {neg. angle} \\
+ {\normalfont key word} & \text{pos. angle} & \text{neg. angle} \\
\midrule
right & 0 & \pm 360 \\
right above & 45 & -315 \\
@@ -499,10 +289,17 @@ When you don't use options reactants and arrows always are put to the right of t
below right & 315 & -45 \\
\bottomrule
\end{tabular}
- \caption{key words for positioning}\label{tab:keywords}
+ \caption{\label{tab:keywords}key words for positioning}
\end{table}
-You can see in the last example, that positioning can be realized through key words (see \ref{tab:keywords}) like \lstinline+below+ or by using the angle relative to the horizontal line. Every angle from the interval $[\ang{-360};\ang{360}]$. \ang{0} corresponds to \lstinline+right+, which is the default value. \emph{Positive angles} mean a turn \emph{counter clockwise}, negative ones a turn clockwise, like you're used to in mathematics.
-\begin{SideBySideExample}
+
+You can see in the last example that positioning can be realized through key
+words (see table~\ref{tab:keywords}) like \code{below} or by using the angle
+relative to the horizontal line. Every angle from the interval
+$[\ang{-360};\ang{360}]$. \ang{0} corresponds to \code{right} which is the default
+value. \emph{Positive angles} mean a turn \emph{counter clockwise}, negative ones
+a turn clockwise -- like you're used to in mathematics.
+
+\begin{beispiel}
\begin{rxn}
\reactant{ \chemfig{-[::30]-[::-60]OH} }
\arrow[20]{Ox.}{}
@@ -513,11 +310,12 @@ You can see in the last example, that positioning can be realized through key wo
\arrow[-20]{Ox.}{}
\reactant[-20]{ \chemfig{-[::30]=_[::-60]O} }
\end{rxn}
-\end{SideBySideExample}
+\end{beispiel}
\subsubsection{Positioning}
-Reactants and arrows cannot only be positioned through key words and angles. They can refer to another reactant or arrow.
-\begin{Example}
+Reactants and arrows cannot only be positioned through key words and angles. They
+can refer to another reactant or arrow.
+\begin{beispiel}
\begin{rxn}
\reactant[,start]{ \chemfig{R-[::30](-[::60]R|^1) (-[::-120]R|^2)-[::-60]OH} }
\arrow[40]{\tiny$\text{R}^1=\text{H}$} {\tiny$\text{R}^2=\text{H}$}
@@ -526,21 +324,24 @@ Reactants and arrows cannot only be positioned through key words and angles. The
\reactant{ \chemfig{R-[::30](-[::60]R)=_[::-60]O} }
\arrow[start.-40,-|>]{\tiny$\text{R}^1=\text{alkyl}$} {\tiny$\text{R}^2=\text{Alkyl}$}
\end{rxn}
-\end{Example}
-In the last example the first reactant got the \lstinline+<name>+ \lstinline+start+. The arrows in lines 5 and 7 now could refer to it. A \emph{previously given name} can act as an anchor for later reactants or arrows, if the positioning is written like
-\begin{lstlisting}
- <anchor>.<angle>
-\end{lstlisting}
-Arrows can be given names, too. The anchor point of an arrow always is in the middle of the arrow line and has \emph{no} size.
-\begin{SideBySideExample}
+\end{beispiel}
+In the last example the first reactant got the \code{<name>} \code{start}. The
+arrows in lines 5 and 7 now could refer to it. A \emph{previously given name} can
+act as an anchor for later reactants or arrows, if the positioning is written like
+\code{<anchor>.<angle>}.
+
+Arrows can be given names, too. The anchor point of an arrow always is in the
+middle of the arrow line and has \emph{no} size.
+\begin{beispiel}
\begin{rxn}
\reactant{\chemfig{[:60]-(-[::60])=[::-60](-[::-60])-}}
\arrow[,,,arrow]{}{}
- \reactant[arrow.90]{\ce{H2O}}
+ \reactant[arrow.90]{\ch{H2O}}
\end{rxn}
-\end{SideBySideExample}
+\end{beispiel}
+
Using this kind of positioning does \emph{not} break the chain.
-\begin{lstlisting}
+\begin{beispiel}[code only]
\begin{rxn}
\reactant[,a]{A}
\arrow{}{}
@@ -550,8 +351,10 @@ Using this kind of positioning does \emph{not} break the chain.
\arrow[a.180]{}{}
\reactant[180]{D}
\end{rxn}
-\end{lstlisting}
-All seven objects of this example are logically speaking part of the same chain. The next obect is placed to the right of the last one, if no positioning is used.
+\end{beispiel}
+
+All seven objects of this example are logically speaking part of the same chain.
+The next object is placed to the right of the last one if no positioning is used.
\begin{rxn}
\tikzset{nummer/.style={circle,fill=gray!30,draw=gray,minimum size=3.5mm}}
\reactant[,a]{A}\arrow[,,,pa]{}{}\reactant[,b]{B}
@@ -567,34 +370,40 @@ All seven objects of this example are logically speaking part of the same chain.
\end{rxn}
\subsubsection{Branches}
-To break a chain you use the command\index{branch}
-\begin{lstlisting}
- \branch[<pos>,<name>,<tikz>]{<formulae>}
-\end{lstlisting}
-The positioning of a branch is slightly different from earlier objects, although the syntax is similar. A branch has two additional ways of positioning. Every positioning that refers to an anchor cause that the branch is not a part of the chain but is a real branch.
-\begin{lstlisting}
- <angle> % on the chain
- <key> % on the chain
- <anchor>.<angle> % not on the chain
- on chain=going <key> % on the chain
- <key>=of <anchor> % not on the chain
-\end{lstlisting}
-As \lstinline+<key>+ you again use the values from \ref{tab:keywords}.
-\begin{Example}
+To break a chain you use the command
+\begin{beschreibung}
+ \Befehl{branch}[<pos>,<name>,<tikz>]{<formulae>}
+\end{beschreibung}
+The positioning of a branch is slightly different from earlier objects, although
+the syntax is similar. A branch has two additional ways of positioning. Every
+positioning that refers to an anchor cause that the branch is not a part of the
+chain but is a real branch.
+\begin{description}
+ \item[\code{<angle>}] on the chain
+ \item[\code{<key>}] on the chain
+ \item[\code{<anchor>.<angle>}] not on the chain
+ \item[\code{on chain=going <key>}]on the chain
+ \item[\code{<key>=of <anchor>}] not on the chain
+\end{description}
+As \code{<key>} you again use the values from table~\ref{tab:keywords}.
+
+\begin{beispiel}
\begin{rxn}
\reactant{ \chemfig{-[::30]-[::-60]OH} }
\arrow{}{}
\reactant[,carbonyl]{ \chemfig{-[::30]=_[::-60]O} }
\branch[carbonyl.-90]{
- \arrow[-90,<=>]{\ce{NH2R}}{}
+ \arrow[-90,<=>]{\ch{NH2R}}{}
\reactant[-90]{ \chemfig{-[::30]=_[::-60]N(-[6]H)-[::60]R} }
}
\arrow{}{}
\reactant{ \chemfig{-[::30](-[::60]OH)=_[::-60]O} }
\end{rxn}
-\end{Example}
-Please note that in the last example the arrow and the reactant placed after branch continue the original chain.
-\begin{lstlisting}
+\end{beispiel}
+
+Please note that in the last example the arrow and the reactant placed after
+branch continue the original chain.
+\begin{beispiel}[code only]
\begin{rxn}
\reactant[,a]{A}
\arrow{}{}
@@ -606,7 +415,8 @@ Please note that in the last example the arrow and the reactant placed after bra
\arrow[a.180]{}{}
\reactant[180]{D}
\end{rxn}
-\end{lstlisting}
+\end{beispiel}
+
The chain is broken by the branch which starts a new chain itself.
\begin{rxn}
\tikzset{nummer/.style={circle,fill=gray!30,draw=gray,minimum size=3.5mm}}
@@ -623,8 +433,9 @@ The chain is broken by the branch which starts a new chain itself.
\anywhere{pc.90,,nummer}{4}
\anywhere{d.45,,nummer}{5}
\end{rxn}
-Using \lstinline+\branch+ allows to create schemes with several branches:
-\begin{Example}
+
+Using \cmd{branch} allows to create schemes with several branches:
+\begin{beispiel}
\begin{rxn}
\reactant{ \chemfig{-[::30]-[::-60]OH} }
\arrow{}{}
@@ -632,7 +443,7 @@ Using \lstinline+\branch+ allows to create schemes with several branches:
\arrow[-90]{}{}
\reactant[-90]{ \chemfig{-[::30](-[::60]OH)=_[::-60]O} }
\branch[right=of carbonyl]{
- \arrow[,<=>,1.12]{\ce{NH2R}}{}
+ \arrow[,<=>,1.12]{\ch{NH2R}}{}
\reactant{ \chemfig{-[::30]=_[::-60]N(-[6]H)-[::60]R} }
}
\branch[below right=of carbonyl]{
@@ -641,48 +452,56 @@ Using \lstinline+\branch+ allows to create schemes with several branches:
}
\arrow[carbonyl.90]{ \chemfig{[,.75]-[::30]=_[::-60]O}/\Hpl }{}
\reactant[90]{ \chemfig{-[::30](-[::60]OH)-[::-60]-[::60]=[::60]O} }
- \arrow{$-\ce{H2O}$}{}
+ \arrow{$-\ch{H2O}$}{}
\reactant{ \chemfig{-[::30]=[::-60]-[::60]=[::60]O} }
\end{rxn}
-\end{Example}
+\end{beispiel}
\subsubsection{Numbered Schemes}
-There is another environment to create schemes.\index{rxnscheme}
-\begin{lstlisting}
- \begin{rxnscheme}[<label>,<placement>,<alignment>,<skale factor>,<title>]{<caption>}
- ...
- \end{rxnscheme}
-\end{lstlisting}
-This is a floating environment for schemes, which can be given a \lstinline+<caption>+, a \lstinline+<label>+ and the common placement identifiers like \lstinline+htp+ (default).
-\begin{Example}
- \begin{rxnscheme}[,H]{Keto-Enol-tautomerism}
- \reactant{ \chemfig{=[::30]-[::-60]OH} }
- \arrow[,<=>]{}{}
- \reactant{ \chemfig{-[::30]=[::-60]O} }
- \end{rxnscheme}
-\end{Example}
-
-\subsection{Predefined Values}\index{default values|(}
-There are some predefined values, that are basically due to my personal taste. But of course you can change them according to your requirements. For \CF-formul\ae\ \emph{inside of \mC environments} some values are predefined as follows:
-\begin{lstlisting}
+There is another environment to create schemes.
+\begin{beschreibung}
+ \Umg{rxnscheme}[<label>,<placement>,<alignment>,<skale factor>,<title>]{<caption>}
+\end{beschreibung}
+
+This is a floating environment for scheme, which can be given a \code{<caption>},
+a \code{<label>} and the common placement identifiers like \code{htp} (default).
+\begin{beispiel}[code and float]
+\begin{rxnscheme}{Keto-Enol-tautomerism}
+ \reactant{ \chemfig{=[::30]-[::-60]OH} }
+ \arrow[,<=>]{}{}
+ \reactant{ \chemfig{-[::30]=[::-60]O} }
+\end{rxnscheme}
+\end{beispiel}
+
+\subsection{Predefined Values}
+There are some predefined values that are basically due to my personal taste. But
+of course you can change them according to your requirements. For \paket{chemfig}%
+-formul\ae\ \emph{inside of \mychemistry environments} some values are predefined
+as follows:
+\begin{beispiel}[code only]
\setatomsep{1.8em}
\setcrambond{3pt}{0.5pt}{1pt}
-\end{lstlisting}
-Outside the \mC environments the defaults of \CF still are set.
-\begin{SideBySideExample}
+\end{beispiel}
+Outside the \mychemistry environments the defaults of \paket{chemfig} still are
+set.
+\begin{beispiel}
\begin{rxn}
\reactant{\chemfig{**6(------)}}
\end{rxn}
\chemfig{**6(------)}
-\end{SideBySideExample}
-\mC's defaults can be changed with these commands:\index{setbondlength}\index{setbondshape}\index{setatomsize}
-\begin{lstlisting}
- \setbondlength{<length>}
- \setbondshape{<base length>}{<dash thickness>}{<dash spacing>}
- \setatomsize{<font size>}
-\end{lstlisting}
-With these commands, the parameters are changed \emph{for all following} \mC environments. If you leave the arguments empty, default values are restored. Default for \lstinline=\setatomsize= is \lstinline=\small=.
-\begin{Example}
+\end{beispiel}
+
+\mychemistry's defaults can be changed with these commands:
+\begin{beschreibung}
+ \Befehl{setbondlength}{<length>}
+ \Befehl{setbondshape}{<base length>}\ma{<dash thickness>}\ma{<dash spacing>}
+ \Befehl{setatomsize}{<font size>}
+\end{beschreibung}
+With these commands the parameters are changed \emph{for all following}
+\mychemistry environments. If you leave the arguments empty default values are
+restored. Default for \cmd{setatomsize} is \cmd{small}.
+
+\begin{beispiel}
\setbondlength{2.1em}\setbondshape{5pt}{1pt}{2pt}\setatomsize{\Large}
\begin{rxn}
\reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
@@ -691,9 +510,12 @@ With these commands, the parameters are changed \emph{for all following} \mC env
\begin{rxn}
\reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
\end{rxn}
-\end{Example}
-If you only want to change the parameters of a single environment you can use \CF's commands and \LaTeX's fontsize commands \emph{inside the environment}.
-\begin{Example}
+\end{beispiel}
+
+If you only want to change the parameters of a single environment you can use
+\paket{chemfig}'s commands and \LaTeX's fontsize commands \emph{inside the
+environment}.
+\begin{beispiel}
\begin{rxn}
\setatomsep{2.1em}\setcrambond{5pt}{1pt}{2pt}\Large
\reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
@@ -701,63 +523,62 @@ If you only want to change the parameters of a single environment you can use \C
\begin{rxn}
\reactant{\chemfig{-[::30](<[::60])-[::-60](<:[::-60])-[::60]A}}
\end{rxn}
-\end{Example}
-The default length of reaction arrows is \SI{4}{\emlength}, the default line width is \lstinline+semithick+ and the default label distance is \SI{0.2}{\emlength}. You can change these default values with the commands\index{setarrowlength}\index{setarrowline}\index{setarrowlabel}
-\begin{lstlisting}
- \setarrowlength{<length>}
- \setarrowline{<line width>}
- \setarrowlabel{<label distance>}
-\end{lstlisting}
-or with\index{mCsetup}
-\begin{lstlisting}
- \mCsetup{arrowlength=<length>,
- arrowline=<line width>,
- arrowlabel=<label distance>}
-\end{lstlisting}
-\index{default values|)}
-
-\subsection{Package options}\label{ssec:paketoptionen}\index{options|(}
-\mC has a number of package options.
-\begin{description}
- \vitem+chemstyle+\index{options!chemstyle}load the `chemstyle' package, without conflicts with \mC.
- \vitem+color=<colour>+\index{options!color} This loads `chemexec' with the options \lstinline=color<colour>= \&\ \lstinline+shade=true+.
- \vitem+english+\index{options!english} With this option, \mC loads the english version of `chemexec', if the package isn't loaded separately before. The name of the \lstinline=rxnscheme= environment (see \ref{ssec:rxnscheme}) is changed into "Reaction scheme".
- \vitem+nochemexec+\index{options!nochemexec} prevent \mC from loading `chemexec'.
- \vitem+nocolor+\index{options!nocolor} `chemexec' is loaded without colour and with the option \lstinline+shade=false+ (default behaviour of \mC).
- \vitem+nocompounds+\index{options!nocompounds}prevent \mC from loading `chemcompounds'.
- \vitem+nomhchem+\index{options!nomhchem}prevent \mC from loading `mhchem' lädt, if `chemexec' isn't loaded either.
- \vitem+nopackages+\index{options!nopackages}prevent \mC from loading \emph{any} package (except \CF)\footnote{apart from the ones \mC needs to function (like \TikZ etc.).}.
- \vitem+placement=<position>+\index{options!placement} The default placement behaviour of the \lstinline=rxnscheme= environment is changed to \lstinline=<position>=.
- \vitem+shade+\index{options!shade} loads `chemexec' with the \lstinline+shade=true+ option.
-\end{description}
-\index{options|)}
+\end{beispiel}
+
+The default length of reaction arrows is \SI{4}{em}, the default line width is
+\code{semithick} and the default label distance is \SI{0.2}{em}. You can change
+these default values with the commands
+\begin{beschreibung}
+ \Befehl{setarrowlength}{<length>}
+ \Befehl{setarrowline}{<line width>}
+ \Befehl{setarrowlabel}{<label distance>}
+\end{beschreibung}
+or with
+\begin{beschreibung}
+ \befehl{mCsetup}{<options>} valid options are:
+ \Option{arrowlength}{<length>}
+ \Option{arrowline}{<line width>}
+ \Option{arrowlabel}{<label distance>}
+\end{beschreibung}
\section{Advanced Usage, Usage with \TikZ}
-The biggest problem with \mC usually is the correct positioning of reactants and arrows. \ref{ssec:ausrichtungsfrage} looks a little bit into this topic.
-
-Some of the commands can be given \TikZ code as third optional argument. More precisely you can use the same \TikZ keys there as you would with a \lstinline+\node+ inside a \lstinline+tikzpicture+. If a node is placed with \lstinline+\node[<tikz>](<placement>){<anything>};+, then \lstinline+<tikz>+ is about the same in \eg \lstinline+\reactant[,,<tikz>]{}+\index{reactant!tikz}. With this you can customize your scheme in many ways.
-
-\subsection{The Alignment Question}\label{ssec:ausrichtungsfrage}\index{alignment|(}
-Since reactants, arrows and branches are aligned centered to the referred object, the default alignment not always produces nice results.
-\begin{Example}
+The biggest problem with \mychemistry usually is the correct positioning of
+reactants and arrows. Section~\ref{ssec:ausrichtungsfrage} looks a little bit
+into this topic.
+
+Some of the commands can be given \TikZ code as third optional argument. More
+precisely you can use the same \TikZ keys there as you would with a \cmd{node}
+inside a \code{tikzpicture}. If a node is placed with \cmd{node}\oa{<tikz>}%
+\da{<placement>}\ma{<anything>} then \code{<tikz>} is about the same in \eg
+\cmd{reactant}[,,<tikz>]{}. With this you can customize your scheme in many ways.
+
+\subsection{The Alignment Question}\label{ssec:ausrichtungsfrage}
+Since reactants, arrows and branches are aligned centered to the referred object
+the default alignment not always produces nice results.
+\begin{beispiel}
\makevisible
\begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \compound{benzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \cmpd{benzene}} }
\arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
\end{rxn}
-\end{Example}
-As you can see, both reactants are not aligned equally to the arrow, as far as the benzene ring is concerned. The first reactant seems to be shifted up. Trying to solve this with \TikZ code fails:
-\begin{Example}
+\end{beispiel}
+As you can see both reactants are not aligned equally to the arrow as far as the
+benzene ring is concerned. The first reactant seems to be shifted up. Trying to
+solve this with \TikZ code fails:
+
+\begin{beispiel}
\makevisible
\begin{rxn}
- \reactant[,,yshift=-1em]{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \compound{benzene}} }
+ \reactant[,,yshift=-1em]{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \cmpd{benzene}} }
\arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
\end{rxn}
-\end{Example}
-This is, because the first reactant is shifted with the respect to the object it refers to. Since it is the first object on the chain itself, it isn't shifted at all. The following arrow always is centered to the object before.
-\begin{SideBySideExample}
+\end{beispiel}
+This is, because the first reactant is shifted with the respect to the object it
+refers to. Since it is the first object on the chain itself it isn't shifted a
+all. The following arrow always is centered to the object before.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant{A}
@@ -765,9 +586,10 @@ This is, because the first reactant is shifted with the respect to the object it
\reactant[,,yshift=1em]{B}
\arrow{}{}
\end{rxn}
-\end{SideBySideExample}
-Since there is no possibility to change the alignment of the arrow itself (yet), what you can do is put it inside a branch.
-\begin{Example}
+\end{beispiel}
+Since there is no possibility to change the alignment of the arrow itself what
+you can do is put it inside a branch.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant{A}
@@ -776,22 +598,25 @@ Since there is no possibility to change the alignment of the arrow itself (yet),
\branch[,,yshift=-1em]{\arrow{}{}}
\end{rxn}
\begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \compound{benzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=-=)}}{benzene \cmpd{benzene}} }
\branch[,,yshift=1em]{\arrow{}{}}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
\end{rxn}
-\end{Example}
-For the last example this isn't the best solution, though, because exact alignment needs lots of tries until you get the required result. There is another solution: an invisible bromine to the first benzene.
-\begin{Example}
+\end{beispiel}
+For the last example this isn't the best solution though because exact alignment
+needs lots of tries until you get the required result. There is another solution:
+an invisible bromine to the first benzene.
+\begin{beispiel}
\makevisible
\begin{rxn}
- \reactant{ \chemname{\chemfig{*6(-=-=(-[,,,,draw=none]\phantom{Br})-=)}}{benzene \compound{benzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-[,,,,draw=none]\phantom{Br})-=)}}{benzene \cmpd{benzene}} }
\arrow{}{}
- \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} }
+ \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} }
\end{rxn}
-\end{Example}
-In other cases, too, an invisible substituent should be preferred over \TikZ code, since it's easier and more precise:
-\begin{Example}
+\end{beispiel}
+In other cases, too, an invisible substituent should be preferred over \TikZ code
+since it's easier and more precise:
+\begin{beispiel}
\makevisible
default:
\begin{rxn}
@@ -817,20 +642,23 @@ In other cases, too, an invisible substituent should be preferred over \TikZ cod
\arrow{[\Hpl]}{\SI{200}{\celsius}}
\reactant{\chemfig{-[:-30]-[:30](=[2]O)-[:-30]O-[:30]-[:-30]-[:30]}}
\end{rxn}
-\end{Example}
-I'm afraid that in many other cases you'll have to play with \lstinline+xshift+\index{xshift} and \lstinline+yshift+\index{yshift}, though, until the scheme looks the way you want. Maybe further versions of \mC will provide a more user friendly alignment syntax.
-\index{alignment|)}
+\end{beispiel}
+
+I'm afraid that in many other cases you'll have to play with \code{xshift} and
+\code{yshift}, though, until the scheme looks the way you want.
\subsection{Using \TikZ to Achieve Other Results}
You could, just for fun?, change the looks of a molecule with \TikZ.
-\begin{SideBySideExample}
+\begin{beispiel}
\begin{rxn}
\reactant[,,->,green!45!blue!55]{ \chemfig{*6(---(-)---)} }
\end{rxn}
\chemfig[->,green!45!blue!55]{*6(---(-)---)}
-\end{SideBySideExample}
-The last example is not very good, of course, since you can achieve the same result using \CF's own possibilities. But other cases are imaginable: for example one could define a style with which reactants are shown:
-\begin{Example}
+\end{beispiel}
+The last example is not very good, of course, since you can achieve the same result
+using \paket{chemfig}'s own possibilities. But other cases are imaginable: for
+example one could define a style with which reactants are shown:
+\begin{beispiel}
\colorlet{mCgreen}{green!50!gray}
\colorlet{mCblue}{cyan!50!gray}
\colorlet{mCred}{magenta!50!gray}
@@ -846,9 +674,9 @@ The last example is not very good, of course, since you can achieve the same res
\reactant[,guanine,reactant=mCgreen]{\chemfig{[:-36]*5(-N(-H)-*6(-N=(-NH_2)-N(-H)-(=O)--)--N=)}}
\anywhere{guanine.-90,,yshift=-2mm}{Guanine}
\end{rxn}
-\end{Example}
+\end{beispiel}
This way certain parts of a scheme could be emphasized:
-\begin{Example}
+\begin{beispiel}
\begin{rxn}
\setatomsep{1.5em}
\colorlet{mCgreen}{green!50!gray}
@@ -856,14 +684,14 @@ This way certain parts of a scheme could be emphasized:
\reactant[,lineOne]{\chemfig{R^1-[:30](=[@{b1}2]O)-[:-30]O-H}}
\arrow[,<=>]{\chemfig{@{Hpl1}\Hpl}}{}
\branch[,,emph]{
- \reactant{\chemfig{R^1-[:30]@{C1}(-[2]O-[:30]H)(-[6,.5,,,draw=none]\oplus)-[:-30]O-H}}
+ \reactant{\chemfig{R^1-[:30]@{C1}(-[2]O-[:30]H)(-[6,.5,,,draw=none]\fplus)-[:-30]O-H}}
\arrow[,<=>,2]{\chemfig{[:30]H-@{O1}O-[::-60]-R^2}}{}
- \reactant{\chemfig{R^1-[:30](-[2]O-[:30]H)(-[6]@{O2}O-[:-150]H)-[:-30]@{O3}\chemabove{O}{\oplus}(-[@{b2}6]H)-[:30]-[:-30]R^2}}
+ \reactant{\chemfig{R^1-[:30](-[2]O-[:30]H)(-[6]@{O2}O-[:-150]H)-[:-30]@{O3}\chemabove{O}{\fplus}(-[@{b2}6]H)-[:30]-[:-30]R^2}}
}
\anywhere{lineOne.-90,lineTwo,xshift=-3em,yshift=-7em}{}
\arrow[lineTwo.0,<=>]{$-$\Hpl/\chemfig{@{Hpl2}\Hpl}}{}
- \reactant{\chemfig{R^1-[:30](-[@{b3}2]O-[@{b4}:30]H)(-[@{b5}6]@{O4}\chembelow{O}{\oplus}(-[:-30]H)-[:-150]H)-[:-30]O-[:30]-[:-30]R^2}}
- \arrow[,<=>,2]{\ce{- \Hpl - H2O}}{}
+ \reactant{\chemfig{R^1-[:30](-[@{b3}2]O-[@{b4}:30]H)(-[@{b5}6]@{O4}\chembelow{O}{\fplus}(-[:-30]H)-[:-150]H)-[:-30]O-[:30]-[:-30]R^2}}
+ \arrow[,<=>,2]{$- \ch{H+} - \ch{H2O}$}{}
\reactant{\chemfig{R^1-[:30](=[2]O)-[:-30]O-[:30]-[:-30]R^2}}
\anywhere{lineTwo.-90}{
\elmove{b1}{10:5mm}{Hpl1}{135:1cm}
@@ -874,59 +702,62 @@ This way certain parts of a scheme could be emphasized:
\elmove{b5}{-30:5mm}{O4}{-10:5mm}
}
\end{rxn}
-\end{Example}
-\newpage
+\end{beispiel}
\section{Alphabetical Command Reference}
In the following section every command is explained.
-\subsection{anywhere}\label{ssec:anywhere}\index{anywhere|(}\index{commands!anywhere}
-\NEU%
-Sometimes it might be useful to be able to place a reactant or anything else off the chain.
-\begin{lstlisting}
- \anywhere{<pos>,<name>,<tikz>}{<something>}
-\end{lstlisting}
-For this case there's \lstinline+\anywhere+. It is positioned with \lstinline+<pos>+ similar to \lstinline+\branch+.
-\begin{lstlisting}
- <anchor>.<angle> % not on the chain
- on chain=going <key> % on the chain
- <key>=of <anchor> % not on the chain
-\end{lstlisting}
-\textbf{Please be aware that \lstinline+<pos>+ cannot be left empty.}
-\begin{SideBySideExample}
+\subsection{anywhere}\label{ssec:anywhere}
+Sometimes it might be useful to be able to place a reactant or anything else off
+the chain.
+\begin{beschreibung}
+ \Befehl{anywhere}{<pos>,<name>,<tikz>}\ma{<something>}
+\end{beschreibung}
+For this case there's \cmd{anywhere}. It is positioned with \code{<pos>} similar
+to \cmd{branch}.
+\begin{description}
+ \item[\code{<anchor>.<angle>}] not on the chain
+ \item[\code{on chain=going <key>}] on the chain
+ \item[\code{<key>=of <anchor>}] not on the chain
+\end{description}
+Please be aware that \code{<pos>} cannot be left empty.
+
+\begin{beispiel}
\begin{rxn}
\reactant[,carbonyl_A]{\chemfig{R_2C=O}}
\anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}};
\end{rxn}
-\end{SideBySideExample}
-You can use this command \eg for placing labels naxt to reactants.
-\begin{Example}
+\end{beispiel}
+You can use this command \eg for placing labels next to reactants.
+\begin{beispiel}
\begin{rxn}
\reactant[,ketone]{\chemfig{H-\chemabove{C}{\hspace*{5mm}\scriptstyle\alpha}(-[2]H)(-[6,,,2]{}|{\textcolor{blue}H})-C(=[:60]\lewis{02,O})-[:-60]C|H_3}}
- \anywhere{below=of ketone}{$+$\color{blue}\Hyd}
+ \anywhere{below=of ketone}{$+ \ch[format=\color{blue}]{OH-}$}
\arrow[,<=>]{\tiny slow}{}
\mesomeric[,mesomer]{
- \reactant[,carbanion]{\chemfig{H_2|\chemabove[3pt]{\lewis{2,C}}{\scriptstyle\ominus}-C(=[:60]\lewis{02,O})-[:-60]C|H_3}}
+ \reactant[,carbanion]{\chemfig{H_2|\chemabove[3pt]{\lewis{2,C}}{\fscrm}-C(=[:60]\lewis{02,O})-[:-60]C|H_3}}
\marrow
- \reactant[,enolate]{\chemfig{H_2C=C(-[:60]\chemabove{\lewis{024,O}}{\hspace*{5mm}\scriptstyle\ominus})-[:-60]C|H_3}}
+ \reactant[,enolate]{\chemfig{H_2C=C(-[:60]\chemabove{\lewis{024,O}}{\hspace*{5mm}\fscrm})-[:-60]C|H_3}}
}
\anywhere{above=of enolate}{\tiny enolate ion}
\anywhere{above=of carbanion}{\tiny carbanion}
- \anywhere{below=of mesomer}{$+$\color{blue}\ce{H2O}}
- \end{rxn}
-\end{Example}
-You can find many further examples for the usage of \lstinline+\anywhere+ in \texttt{examples.tex} or \texttt{examples.pdf}, resp.
-\index{anywhere|)}
-
-\subsection{arrow}\label{ssec:arrow}\index{arrow|(}\index{commands!arrow}
-Reaction arrows are created with \lstinline=\arrow=.
-\begin{lstlisting}
- \arrow[<pos>,<type>,<length factor>,<name>,both,<tikz>]{<above>}{<below>}
-\end{lstlisting}
-\subsubsection{Options}\index{arrow!options|(}
-There are a number of options to customize the arrows. The options must be used in the right order, seperated with commas.
+ \anywhere{below=of mesomer}{$+ \ch[format=\color{blue}]{H2O}$}
+ \end{rxn}
+\end{beispiel}
+You can find many further examples for the usage of \cmd{anywhere} in \code{examples.tex}
+or \code{examples.pdf}, respectively.
+
+\subsection{\cmd{arrow}}\label{ssec:arrow}
+Reaction arrows are created with \cmd{arrow}.
+\begin{beschreibung}
+ \Befehl{arrow}[<pos>,<type>,<length factor>,<name>,both,<tikz>]{<above>}\ma{<below>}
+\end{beschreibung}
+
+\subsubsection{Options}
+There are a number of options to customize the arrows. The options must be used
+in the right order, separated with commas.
\begin{enumerate}
-\item\lstinline+<pos>+\index{arrow!options!pos} -- possible values:
+\item\code{<pos>} -- possible values:
\begin{rxn}
\setarrowlength{2.5em}
\dummy[a]
@@ -939,11 +770,13 @@ There are a number of options to customize the arrows. The options must be used
\branch[below=of a]{\arrow[below]{}{}\reactant[below]{below = \ang{270} = \ang{-90}}}
\branch[below right=of a]{\arrow[below right]{}{}\reactant[below right]{below right = \ang{315} = \ang{-45}}}
\end{rxn}
- \NEU%
Additionally you can use every angle from the interval $[\ang{-360};\ang{360}]$.
- You can also use an angle with respect to an object that's been named with \lstinline+<name>+: \lstinline+<name>.<angle>+. This means the arrow is placed in an angle of \lstinline+<angle>+ next to \lstinline+<name>+. You can find lots of examples in \texttt{examples.tex} or\texttt{examples.pdf}, resp.
-\item\lstinline+<type>+\index{arrow!options!type} -- possible values:
+ You can also use an angle with respect to an object that's been named with
+ \code{<name>}: \code{<name>.<angle>}. This means the arrow is placed in an
+ angle of \code{<angle>} next to \code{<name>}. You can find lots of examples in
+ \code{examples.tex} or\code{examples.pdf}, respectively.
+\item\code{<type>} -- possible values:
\begin{rxn}
\dummy[a]
\branch[below=of a,b,yshift=.5em]{\arrow{}{}\reactant{\ttfamily -\textgreater}}
@@ -955,17 +788,24 @@ There are a number of options to customize the arrows. The options must be used
\branch[below=of g,h,xshift=-.25em,yshift=.5em]{\arrow[,-|>]{}{}\reactant{\ttfamily -\textbar\textgreater}}
\branch[below=of h,,yshift=.5em]{\arrow[,-+>]{ }{ }\reactant{\ttfamily -+\textgreater}}
\end{rxn}
-\item\lstinline+<length factor>+\index{arrow!options!length} -- this factor multiplies with the arrow length (\SI{4}{\emlength} with factor = $1.0$, default) \item\lstinline+<name>+\index{arrow!options!name} -- can be used to give the arrow an anchor, to which another object can refer.
-\item\lstinline+both+\index{arrow!options!both}-- this gives both nodes within which the labels are written the same size.
-\item\lstinline+<tikz>+\index{arrow!options!tikz} -- you can modify the arrow with \TikZ keys. Not every \TikZ keys have an effect, though. You can't shift arrows with \lstinline+shift=<coord>+, for example.
+\item\code{<length factor>} -- this factor multiplies with the arrow length
+ (\SI{4}{em} with factor = $1.0$, default)
+\item\code{<name>} -- can be used to give the arrow an anchor, to which another
+ object can refer.
+\item\code{both}-- this gives both nodes within which the labels are written the
+ same size.
+\item\code{<tikz>} -- you can modify the arrow with \TikZ keys. Not all \TikZ
+ keys have an effect, though. You can't shift arrows with \code{shift=<coord>},
+ for example.
\end{enumerate}
-\begin{Example}
+\begin{beispiel}
\begin{rxn}
\arrow[,,.25]{M}{}\arrow[,,.5]{MM}{}\arrow[,,.75]{MMM}{}\arrow{MMMM}{}\arrow[,,1.125]{MMMMM}{}\arrow[,,1.25]{MMMMM}{}
\end{rxn}
-\end{Example}
-Please note, that the labels \lstinline+<above>+ and \lstinline+<below>+ are rotated with the arrow. At an angle of \ang{180} \lstinline+<above>+ actually is \emph{below} the arrow.
-\begin{SideBySideExample}
+\end{beispiel}
+Please note, that the labels \code{<above>} and \code{<below>} are rotated with
+the arrow. At an angle of \ang{180} \code{<above>} actually is \emph{below} the arrow.
+\begin{beispiel}
\begin{rxn}
\setarrowlength{2.5em}
\dummy[a]
@@ -978,11 +818,13 @@ Please note, that the labels \lstinline+<above>+ and \lstinline+<below>+ are rot
\arrow[a.270]{a}{b}
\arrow[a.315]{a}{b}
\end{rxn}
-\end{SideBySideExample}
-\NEU%
-You need to be aware of one or two points, when using the arrow type \lstinline"-+>": if you leave the labels empty, the arrow is the same as \lstinline"->".
-The first label is the one added to the reaction, the second the one subtracted. If you use only one of the labels only the corresponding arrow part is drawn.\index{arrow!options!type}
-\begin{SideBySideExample}
+\end{beispiel}
+
+You need to be aware of one or two points, when using the arrow type \code{-+>}:
+if you leave the labels empty, the arrow is the same as \code{->}. The first label
+is the one added to the reaction, the second the one subtracted. If you use only
+one of the labels only the corresponding arrow part is drawn.
+\begin{beispiel}
corresponds \verb"->":
\begin{rxn}
\arrow[,-+>]{}{}
@@ -1003,22 +845,23 @@ The first label is the one added to the reaction, the second the one subtracted.
\begin{rxn}
\arrow[,-+>]{ }{ }
\end{rxn}
-\end{SideBySideExample}
-\NEU%
-You can change the appearance of an arrow with \TikZ keys:\index{arrow!options!tikz}
-\begin{Example}
+\end{beispiel}
+
+You can change the appearance of an arrow with \TikZ keys:
+\begin{beispiel}
\begin{rxn}
\mCsetup{arrowlabel=.7em,arrowlength=6em}
\reactant{A}
\arrow[20,,,,,decorate,decoration=snake,blue]{a}{b}
\reactant[20]{A$^*$}
\end{rxn}
-\end{Example}
-\index{arrow!options|)}
+\end{beispiel}
-\subsubsection{Alignment}\index{arrow!alignment|(}
-If an arrow is placed inside a branch, the alignment of the branch may be determined by the size of the label nodes. If the two labels have a different size, alignment can go wrong.
-\begin{SideBySideExample}
+\subsubsection{Alignment}
+If an arrow is placed inside a branch the alignment of the branch may be
+determined by the size of the label nodes. If the two labels have a different
+size, alignment can go wrong.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a]{A}
@@ -1028,9 +871,10 @@ If an arrow is placed inside a branch, the alignment of the branch may be determ
}
\end{rxn}
\makeinvisible
-\end{SideBySideExample}
-By using the option \lstinline=both=\index{arrow!options!both} both nodes get the same size. This can correct the alignment.
-\begin{SideBySideExample}
+\end{beispiel}
+By using the option \code{both} both nodes get the same size. This can correct
+the alignment.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a]{A}
@@ -1040,71 +884,71 @@ By using the option \lstinline=both=\index{arrow!options!both} both nodes get th
}
\end{rxn}
\makeinvisible
-\end{SideBySideExample}
-There's more to the question of alignment in \ref{sssec:branch_ausrichtung}.
-\index{arrow!alignment|)}
-
-\subsubsection{Appearance}\index{arrow!appearance}
-You can change the general appearance of arrows with \lstinline+\setarrowlength+ (\ref{ssec:setarrowlength}) and \lstinline+\setarrowline+ (\ref{ssec:setarrowline}).
-\index{arrow|)}
-
-\subsection{branch}\label{ssec:branch}\index{branch|(}\index{commands!branch}
-\lstinline=\branch= is used to, well, create a branch to a reaction.
-\begin{lstlisting}
- \branch[<pos>,<anchor>,<tikz>]{<branch code>}
-\end{lstlisting}
-For \lstinline=\branch= positioning an anchor is important. Let's take a look at an example:
-\begin{Example}
+\end{beispiel}
+There's more to the question of alignment in section~\ref{sssec:branch_ausrichtung}.
+
+\subsubsection{Appearance}
+You can change the general appearance of arrows with \cmd{setarrowlength}
+(section~\ref{ssec:setarrowlength}) and \cmd{setarrowline} (section~\ref{ssec:setarrowline}).
+
+\subsection{\cmd{branch}}\label{ssec:branch}
+\cmd{branch} is used to, well, create a branch to a reaction.
+\begin{beschreibung}
+ \Befehl{branch}[<pos>,<anchor>,<tikz>]{<branch code>}
+\end{beschreibung}
+For \cmd{branch} positioning an anchor is important. Let's take a look at an example:
+\begin{beispiel}
\begin{rxn}
\reactant[,start]{\chemfig{-[::30]=_[::-60](-[::-60])-[::60]}}
- \arrow[,,.75]{\ce{HCl}}{}
+ \arrow[,,.75]{\ch{HCl}}{}
\reactant{\chemfig{-[::30]-[::-60](-[::120]Cl)(-[::-60])-[::60]}}
\chemand
\reactant{\chemfig{-[::30](-[::60]Cl)-[::-60](-[::-60])-[::60]}}
\branch[below right=of start]{
- \arrow[-45,,.75]{\ce{H2O}}{}
+ \arrow[-45,,.75]{\ch{H2O}}{}
\reactant[-45]{\chemfig{-[::30]-[::-60](-[::120]OH)(-[::-60])-[::60]}}
\chemand
\reactant{\chemfig{-[::30](-[::60]OH)-[::-60](-[::-60])-[::60]}}
}
\end{rxn}
-\end{Example}
-The first reactant got the anchor \lstinline+start+ (line 2, also see \ref{ssec:reactant}).
-\begin{lstlisting}[firstnumber=2]
- \reactant[,!!start!!]{ ... }
-\end{lstlisting}
-\lstinline=\branch= now refers to it in its alignment (line 7):
-\begin{lstlisting}[firstnumber=7]
- \branch[below right!!=of start!!]{ ... }
-\end{lstlisting}
-If you don't use the alignment reference to an anchor, you automatically refer to the last \lstinline=\reactant= or \lstinline=\arrow=. If you don't use alignment at all, then the branch is aligned to the right of the last \lstinline=\reactant= or \lstinline=\arrow=.
-\begin{SideBySideExample}
+\end{beispiel}
+The first reactant got the anchor \code{start} (line 2, also see
+section~\ref{ssec:reactant}). \cmd{branch} now refers to it in its alignment
+(line 7). If you don't use the alignment reference to an anchor you automatically
+refer to the last \cmd{reactant} or \cmd{arrow}. If you don't use alignment at all,
+then the branch is aligned to the right of the last \cmd{reactant} or \cmd{arrow}.
+\begin{beispiel}
\begin{rxn}
\reactant{ \chemfig{CH_2=CH-OH} }
\arrow[,<=>,.5]{}{}
\branch{ \reactant{ \chemfig{CH_3-CH=O} } }
\end{rxn}
-\end{SideBySideExample}
+\end{beispiel}
+
+\subsubsection{Positioning}\label{sssec:branch_positionierung}
+There are several ways to position a branch. It can either be part of the chain
+or be a real branch.
+\begin{description}
+ \item[\code{<angle>}] on the chain
+ \item[\code{<key>}] on the chain
+ \item[\code{<anchor>.<angle>}] not on the chain
+ \item[\code{on chain=going <key>}] on the chain
+ \item[\code{<key>=of <anchor>}] not on the chain
+\end{description}
-\subsubsection{Positioning}\label{sssec:branch_positionierung}\index{branch!positioning|(}
-There are several ways to position a branch. It can either be part of the chain or be a real branch.
-\begin{lstlisting}
- <angle> % on the chain
- <key> % on the chain
- <anchor>.<angle> % not on the chain
- on chain=going <key> % on the chain
- <key>=of <anchor> % not on the chain
-\end{lstlisting}
-Default behaviour is equal to \lstinline+\branch[0]{}+. In different situations different ways can be favoured. For example if you want to use \lstinline+\branch+ to shift an arrow, it can still be part of the chain.
-\begin{SideBySideExample}
+The default behaviour is equal to \cmd{branch}[0]{}. In different situations
+different ways can be favoured. For example if you want to use \cmd{branch} to
+shift an arrow it can still be part of the chain.
+\begin{beispiel}
\begin{rxn}
\reactant{A}
\branch[,,yshift=1em]{\arrow{}{}}
\reactant[,,yshift=-1em]{B}
\end{rxn}
-\end{SideBySideExample}
-If you like to start a real branch, it \emph{does} matter, which way you use.
-\begin{SideBySideExample}
+\end{beispiel}
+
+If you like to start a real branch it \emph{does} matter which way you use.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a]{\chemfig{[:30]--[::-60]-OH}}
@@ -1116,9 +960,11 @@ If you like to start a real branch, it \emph{does} matter, which way you use.
\arrow{}{}
\branch[below right=of a]{\arrow[-45]{}{}}
\end{rxn}
-\end{SideBySideExample}
-If a reactant isn't squared or circled \ang{-45} does not mean the same as "below right".
-\begin{SideBySideExample}
+\end{beispiel}
+
+If a reactant isn't squared or circled \ang{-45} does not mean the same as
+``below right.''
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a,circle]{\chemfig{[:30]--[::-60]-OH}}
@@ -1130,12 +976,14 @@ If a reactant isn't squared or circled \ang{-45} does not mean the same as "belo
\arrow{}{}
\branch[below right=of a]{\arrow[-45]{}{}}
\end{rxn}
-\end{SideBySideExample}
-\index{branch!positioning|)}
+\end{beispiel}
-\subsubsection{Alignment problems}\label{sssec:branch_ausrichtung}\index{branch!alignment|(}
-If an arrow has two arguments with different sizes and is placed inside a branch, the alignment of the branch can go wrong. In this case the \lstinline=\arrow= key \lstinline=both= isn't a solution, since the smaller argument then is not placed next to the arrow but is centered in its node.
-\begin{SideBySideExample}
+\subsubsection{Alignment problems}\label{sssec:branch_ausrichtung}
+If an arrow has two arguments with different sizes and is placed inside a branch
+the alignment of the branch can go wrong. In this case the \cmd{arrow} key
+\code{both} isn't a solution since the smaller argument then is not placed next
+to the arrow but is centered in its node.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a]{A}
@@ -1144,10 +992,11 @@ If an arrow has two arguments with different sizes and is placed inside a branch
\arrow[below,,,,both]{\chemfig{-[::30]-[::-60]OH}}{\Hpl}
}
\end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-What you have to do is shift the branch using the \TikZ keys \lstinline+xshift+\index{xshift} and \lstinline+yshift+\index{yshift}.
-\begin{SideBySideExample}
+\end{beispiel}
+
+What you have to do is shift the branch using the \TikZ keys \code{xshift} and
+\code{yshift}.
+\begin{beispiel}
\makevisible
\begin{rxn}
\reactant[,a]{A}
@@ -1156,71 +1005,89 @@ What you have to do is shift the branch using the \TikZ keys \lstinline+xshift+\
\arrow[below]{\chemfig{-[::30]-[::-60]OH}}{\Hpl}
}
\end{rxn}
- \makeinvisible
-\end{SideBySideExample}
-\index{branch!alignment|)}\index{branch|)}
+\end{beispiel}
-\subsection{chemand}\label{ssec:chemand}\index{chemand|(}\index{commands!chemand}
+\subsection{\cmd{chemand}}\label{ssec:chemand}
The command
-\begin{lstlisting}
- \chemand[<alignment>,<anchor>,<tikz>]
-\end{lstlisting}
-produces and places a $+$ in the same way \lstinline+\reactant+ places arbitrary text.
-\begin{Example}
+\begin{beschreibung}
+ \Befehl{chemand}[<alignment>,<anchor>,<tikz>]
+\end{beschreibung}
+produces and places a $+$ in the same way \cmd{reactant} places arbitrary text.
+\begin{beispiel}
\begin{rxn}
\reactant{\chemfig{*6(------)}}
\chemand
- \reactant{\ce{Br2}}
+ \reactant{\ch{Br2}}
\arrow{$h\nu$}{}
\reactant{\chemfig{*6(--(-Br)----)}}
\chemand
- \reactant{\ce{HBr}}
+ \reactant{\ch{HBr}}
\end{rxn}
-\end{Example}
-The optional arguments for \lstinline+\chemand+ and \lstinline+\reactant+ are the same, see \ref{ssec:reactant} for \lstinline+\reactant+'s options.
-\index{chemand|)}
+\end{beispiel}
+The optional arguments for \cmd{chemand} and \cmd{reactant} are the same, see
+section~\ref{ssec:reactant} for \cmd{reactant}'s options.
-\subsection{dummy}\label{ssec:dummy}\index{dummy|(}\index{commands!dummy}
-\NEU\lstinline=\dummy= creates an empty node. Up to v1.3 \lstinline=\arrow= needed to follow after a node, because \lstinline=\arrow= internally uses \lstinline=\tikzchainprevious=. If there was no node on the chain \emph{before} \lstinline=\arrow= was used, it caused an error. With \lstinline+\branch+ it was similar. By using \lstinline=\dummy= you could start a scheme with an arrow anyway.
-\begin{lstlisting}
+\subsection{\cmd{dummy}}\label{ssec:dummy}
+\cmd{dummy} creates an empty node. Up to v1.3 \cmd{arrow} needed to follow after
+a node since \cmd{arrow} internally uses \cmd*{tikzchainprevious}. If there was
+no node on the chain \emph{before} \cmd{arrow} was used an error was raised.
+The same thing happened with \cmd{branch}. By using \cmd{dummy} you could start
+a scheme with an arrow anyway.
+\begin{beispiel}[code only]
\begin{rxn}
\dummy\arrow{}{}
\end{rxn}
-\end{lstlisting}
-\textbf{This is \emph{not} necessary any more}. In some (alignment) cases, an empty node still might be useful, so the command still exists.
-\index{dummy|)}
-
-\subsection{elmove}\label{ssec:elmove}\index{elmove|(}\index{commands!elmove}
-\lstinline=\elmove= just is a shortcut for \CF's \lstinline=\chemmove=.
-\begin{lstlisting}
- \elmove[<tikz>]{<start>}{<start direction>}{<end>}{<end direction>}
-\end{lstlisting}
-This is expanding the command
-\begin{lstlisting}
- \chemmove{\draw[!!<tikz>!!](!!<start>!!).. controls +(!!<start direction>!!) and +(!!<end direction>!!)..(!!<end>!!);}
-\end{lstlisting}
-using \lstinline?[->,red,shorten <=3pt,shorten >=1pt]? as default for \lstinline=<tikz>=. How you use \lstinline+\chemmove+ is described in the documentation for \CF.
-\begin{Example}
+\end{beispiel}
+\emph{This is \emph{not} necessary any more}. In some (alignment) cases an empty
+node still might be useful so the command still exists.
+
+\subsection{\cmd{elmove}}\label{ssec:elmove}
+\cmd{elmove} just is a wrapper for \paket{chemfig}'s \cmd*{chemmove}.
+\begin{beschreibung}
+ \Befehl{elmove}[<tikz>]{<start>}\ma{<start direction>}\ma{<end>}\ma{<end direction>}
+\end{beschreibung}
+This is expanding to
+\begin{beispiel}[code only]
+ \chemmove{\draw[<tikz>](<start>).. controls +(<start direction>) and +(<end direction>)..(<end>);}
+\end{beispiel}
+using \oa{->,red,shorten <=3pt,shorten >=1pt} as default for \code{<tikz>}. How
+you use \cmd*{chemmove} is described in the documentation of \chemfig.
+\begin{beispiel}
\begin{center}
\setatomsep{1.8em}
\chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
\elmove{e1}{60:4mm}{e2}{0:4mm}
\end{center}
-\end{Example}
-You should use \lstinline+\elmove+ \emph{only inside} of \lstinline+\anywhere+, \lstinline+\reactant+ or \lstinline+\transition+. Otherwise, you might get alignment errors.
-\index{elmove|)}
-
-\subsection{makeinvisible}\label{ssec:makeinvisible}\index{makeinvisible|(}\index{commands!makeinvisible}
-\lstinline=\makeinvisible= restores the normal \mC behaviour after \lstinline=\makevisible= (see \ref{ssec:makevisible}) has been used. \lstinline=\makeinvisible= only changes the looks of nodes following after it.
-\index{makeinvisible|)}
-
-\subsection{makevisible}\label{ssec:makevisible}\index{makevisible|(}\index{commands!makevisible}
-With \lstinline=\makevisible= you can visualize the nodes within which reactants, arrows and branches are set. This is useful when you're aligning branches, for example. You can see an example for \lstinline=\makevisible= in \ref{ssec:arrow}. Every kind of nodes is emphasized with a different colour:
-
-\tikz[baseline=(X.base)]\node[draw=red!60](X){\texttt{\textbackslash reactant\{\}}};, \tikz[baseline=(X.base)]\node[draw=green!60](X){\texttt{\textbackslash arrow\{above\}\{\}}};, \tikz[baseline=(X.base)]\node[draw=blue!60](X){\texttt{\textbackslash arrow\{\}\{below\}}}; und \tikz[baseline=(X.base)]\node[draw=cyan](X){\texttt{\textbackslash branch\{\}}};. Also see \ref{ssec:makeinvisible}.
-
- \lstinline=\makevisible= only changes the looks of nodes following after it ond only effects the group whithin which it is used.
-\begin{SideBySideExample}
+\end{beispiel}
+You should use \cmd{elmove} \emph{only inside} of \cmd{anywhere}, \cmd{reactant}
+or \cmd{transition}. Otherwise you might get alignment errors.
+
+\subsection{\cmd{makeinvisible}}\label{ssec:makeinvisible}
+\begin{beschreibung}
+ \Befehl{makeinvisible}
+\end{beschreibung}
+\cmd{makeinvisible} restores the normal \mychemistry behaviour after \cmd{makevisible}
+(see section~\ref{ssec:makevisible}) has been used. \cmd{makeinvisible} only changes
+the looks of nodes following after it.
+
+\subsection{\cmd{makevisible}}\label{ssec:makevisible}
+\begin{beschreibung}
+ \Befehl{makevisible}
+\end{beschreibung}
+With \cmd{makevisible} you can visualize the nodes within which reactants, arrows
+and branches are set. This is useful when you're aligning branches, for example.
+You can see an example of the usage of \cmd{makevisible} in section~\ref{ssec:arrow}.
+Every kind of nodes is emphasized with a different colour:
+
+\tikz[baseline=(X.base)]\node[draw=red!60](X){\cmd{reactant}{}};,
+\tikz[baseline=(X.base)]\node[draw=green!60](X){\cmd{arrow}{above}};,
+\tikz[baseline=(X.base)]\node[draw=blue!60](X){\cmd{arrow}{below}};
+and \tikz[baseline=(X.base)]\node[draw=cyan](X){\cmd{branch}{}};.
+Also see section~\ref{ssec:makeinvisible}.
+
+\cmd{makevisible} only changes the looks of nodes following after it ond only
+effects the group whithin which it is used.
+\begin{beispiel}
\begin{rxn}
\makevisible
\reactant[,a]{A}
@@ -1235,24 +1102,29 @@ With \lstinline=\makevisible= you can visualize the nodes within which reactants
}
\reactant{\chemfig{[:30]--[::-60]-OH}}
\end{rxn}
-\end{SideBySideExample}
-\index{makevisible|)}
+\end{beispiel}
+
+\emph{Please beware that \cmd{makevisible} \emph{only} has an effect if the
+package option \key{draft} is active}!
-\subsection{marrow}\label{ssec:marrow}\index{marrow|(}\index{commands!marrow}
-\lstinline=\marrow= creates a double-headed arrow.
-\begin{lstlisting}
- \marrow[<direction>]
-\end{lstlisting}
-It is a shortcut for \lstinline+\arrow[<direction>,<->,.5]{}{}+.
-\index{marrow|)}
+\subsection{\cmd{marrow}}\label{ssec:marrow}
+\cmd{marrow} creates a double-headed arrow.
+\begin{beschreibung}
+ \Befehl{marrow}[<direction>]
+\end{beschreibung}
+It is a shortcut for \cmd{arrow}[<direction>,<->,.5]\ma{}\ma{}.
-\subsection{mCsetup}\label{ssec:mCsetup}\index{mCsetup|(}\index{commands!mCsetup}
+\subsection{\cmd{mCsetup}}\label{ssec:mCsetup}
With
-\begin{lstlisting}
- \mCsetup{<keys>}
-\end{lstlisting}
-you can fully customize \mC. For each of \mC's commands going like \lstinline+\set<command>+ except \lstinline+\setbondshape+ there is a key \lstinline+<command>=<value>+. Additionally there is the key \lstinline+align=<value>+, with which you can change the alignment behaviour of both \lstinline+rxn+ and \lstinline+rxnscheme+, and the key \lstinline+reset+, with whith all values are reset to default.\index{mCsetup!align}\index{mCsetup!arrowlength}\index{mCsetup!atomsize}\index{mCsetup!bondlength}\index{mCsetup!mergelength}\index{mCsetup!rcndist}\index{mCsetup!rxnalign}\index{mCsetup!schemealign}\index{mCsetup!reset}
-\begin{Example}
+\begin{beschreibung}
+ \Befehl{mCsetup}{<keys>}
+\end{beschreibung}
+you can fully customize \mychemistry. For each of \mychemistry's commands going
+like \cmd{set<command>} except \cmd{setbondshape} there is a key \key{<command>}{<value>}.
+Additionally there is the key \key{align}{<value>} with which you can change the
+alignment behaviour of both \env{rxn}{} and \env{rxnscheme}{}, and the key
+\key{reset} with whith all values are reset to default.
+\begin{beispiel}
\mCsetup{
align=left,
arrowlabel=.7em,
@@ -1273,18 +1145,37 @@ you can fully customize \mC. For each of \mC's commands going like \lstinline+\s
\begin{rxn}
\reactant{A}\arrow{a}{b}\reactant{\chemfig{A-(<[2])(<:[6])-B}}
\end{rxn}
-\end{Example}
-\lstinline+\mCsetup+ \textbf{as well as for every other setup command only effects the group whithin which it is used.}
-\index{mCsetup|)}
-
-\subsection{merge}\label{ssec:merge}\index{merge|(}\index{commands!merge}
-\NEU%
-The \lstinline+merge+ command is used to merge different reaction chains. In order to do that, the reactants that are to be merged must have an anchor name (\lstinline+\reactant[,<anchor>]{}+, similar with branches, see \ref{ssec:reactant} and \ref{ssec:branch}) and be placed \emph{before} \lstinline+\merge+.
-\begin{lstlisting}
- \merge[<label>,<direction>,<length>]{<target>}{<start a>}{<start b>}
-\end{lstlisting}
-\lstinline+\merge+ has three optional and three mandatory arguments. The latter are the anchor names of the reactants, that are to be merged.
-\begin{Example}
+\end{beispiel}
+\cmd{mCsetup} as well as every other setup command only effects the group whithin
+which it is used.
+
+Here is a complete list of valid keys:
+\begin{beschreibung}
+ \Option{align}
+ \Option{arrowlabel}
+ \Option{arrowlength}
+ \Option{arrowline}
+ \Option{atomsize}
+ \Option{bondlength}
+ \Option{elmove}
+ \Option{mergelength}
+ \Option{rcndist}
+ \Option{reset}
+ \Option{rxnalign}
+ \Option{schemealign}
+\end{beschreibung}
+
+\subsection{\cmd{merge}}\label{ssec:merge}
+The \cmd{merge} command is used to merge different reaction chains. In order to
+do that the reactants that are to be merged must have an anchor name
+(\cmd{reactant}[,<anchor>]{}), similar with branches, see sections~\ref{ssec:reactant}
+and \ref{ssec:branch}) and be placed \emph{before} \cmd{merge}.
+\begin{beschreibung}
+ \Befehl{merge}[<label>,<direction>,<length>]{<target>}\ma{<start a>}\ma{<start b>}
+\end{beschreibung}
+\cmd{merge} has three optional and three mandatory arguments. The latter are the
+anchor names of the reactants that are to be merged.
+\begin{beispiel}
\begin{rxn}
\branch[,first]{
\reactant[,start_a]{\chemfig{-[:30]-[:-30]OH}}
@@ -1293,11 +1184,16 @@ The \lstinline+merge+ command is used to merge different reaction chains. In ord
\branch[below=of first,target,yshift=-5em]{
\reactant{\chemfig{-[:30]-[:-30]O-[:30](-[2]OH)-[:-30]}}
}
- \merge[\ce{[\Hyd]}]{target}{start_a}{start_b}
+ \merge[\ch{[OH^-]}]{target}{start_a}{start_b}
\end{rxn}
-\end{Example}
-The default \lstinline+<direction>+ is \lstinline+below+, other possible values are \lstinline+right+, \lstinline+left+ or \lstinline+above+. With \lstinline+<length>+ the length of the arrow from the point of merging to the tip can be changed. The default length is \SI{3}{\emlength}. The default length can be changed with \lstinline+\setmergelength+\index{setmergelength} or \lstinline+\mCsetup+\index{mCsetup}.
-\begin{Example}
+\end{beispiel}
+
+The default \code{<direction>} is \code{below}, other possible values are
+\code{right}, \code{left} and \code{above}. With \code{<length>} the length of
+the arrow from the point of merging to the tip can be changed. The default length
+is \SI{3}{em}. The default length can be changed with \cmd{setmergelength} or
+\cmd{mCsetup}.
+\begin{beispiel}
\begin{rxn}
\reactant[,start_a]{\chemfig{-[:30]-[:-30]OH}}
\branch[below=of start_a,start_b,yshift=-9em]{
@@ -1306,10 +1202,15 @@ The default \lstinline+<direction>+ is \lstinline+below+, other possible values
\branch[right=of start_a,target,xshift=7em,yshift=-6em]{
\reactant{\chemfig{-[:30]-[:-30]O-[:30](-[2]OH)-[:-30]}}
}
- \merge[\ce{[\Hyd]},right,5em]{target}{start_a}{start_b}
- \end{rxn}
-\end{Example}
-Since you have to place the reactants first, it might be useful to know a little bit about involved lengths. There are three values, which influence the needed distance between start points and the target reactant. There is the {\color{green}depth} of the involved reactants, the distance of the "reaction nodes" {\color{red}rcndist} (see \ref{ssec:setrcndist}) and the length of the \lstinline+\merge+ arrow {\color{blue}mergelength} (also see \ref{ssec:setmergelength}).
+ \merge[\ch{[OH^-]},right,5em]{target}{start_a}{start_b}
+ \end{rxn}
+\end{beispiel}
+Since you have to place the reactants first it might be useful to know a little
+bit about involved lengths. There are three values which influence the needed
+distance between start points and the target reactant. There is the \emph{depth}
+of the involved reactants, the distance of the ``reaction nodes'' \emph{rcndist}
+(see section~\ref{ssec:setrcndist}) and the length of the \cmd{merge} arrow
+\emph{mergelength} (also see section~\ref{ssec:setmergelength}).
\begin{rxn}
\node[above](a) at (0,0){A};
\node[above](b) at (10em,0){B};
@@ -1326,9 +1227,9 @@ Since you have to place the reactants first, it might be useful to know a little
\draw[<->,green] ($(a.base)+(-.5em,0)$)--node[midway,left,xshift=-.2em]{reactant depth}++(0,.5em);
\end{rxn}
At last an example where two chains are merged.
-\begin{Example}
+\begin{beispiel}
\begin{rxn}
- \setatomsep{1em}\tiny
+ \setatomsep{1.15em}\footnotesize
% chain 1
\reactant[,first]{ \chemfig{Cl-[:30,1.5]--[:-30,1.5]O-[:30,1.5]--[:-30,1.5]Cl}{} }
\arrow[,,.5]{}{}
@@ -1346,55 +1247,60 @@ At last an example where two chains are merged.
% merging:
\merge[,right]{target}{start_above}{start_below}
\end{rxn}
-\end{Example}
-The usage of \lstinline=\merge= may require some playing with branches, \lstinline+xshift+\index{xshift} and \lstinline+yshift+\index{yshift}, until you get the desired result.
-\begin{Example}
+\end{beispiel}
+The usage of \cmd{merge} may require some playing with branches, \code{xshift}
+and \code{yshift} until you get the desired result.
+\begin{beispiel}
\begin{rxn}
\setatomsep{1.5em}
\reactant[,start_aa]{ \chemname{\chemfig{**6(---(-NH_2)---)}}{Anilin} }
- \reactant[below,start_ab,yshift=-3em]{ \chemname{\ce{HNO2}}{salpetrige S"aure} }
+ \reactant[below,start_ab,yshift=-3em]{ \chemname{\ch{HNO2}}{salpetrige S\"aure} }
\branch[right=of start_aa,target_a,xshift=6em,yshift=-5em]{
- \reactant{ \chemname{\chemfig{**6(---(-N|_2\op)---)}}{Diazoniumion} }
+ \reactant{ \chemname{\chemfig{**6(---(-N|_2\fpch)---)}}{Diazoniumion} }
}% = start_ba
\branch[below=of target_a,start_bb,yshift=-3em]{
\reactant{ \chemname{\chemfig{**6(---(-NH_2)---)}}{Anilin} }
}
\branch[right=of target_a,target_b,xshift=6em,yshift=-5em]{
- \reactant{ \chemname{\chemfig{N(-[:-150]**6(------))=N-[:-30]**6(---(-NH_2)---)}}{p-Aminodiazobenzol} }
+ \reactant{ \chemname{\chemfig{N(-[:-150]**6(------))=N-[:-30]**6(---(-NH_2)---)}}{\iupac{\para\-Amino\|diazo\|benzol}} }
}
\merge[,right]{target_a}{start_aa}{start_ab}
\merge[,right]{target_b}{target_a}{start_bb}
\end{rxn}
-\end{Example}
-\index{merge|)}
+\end{beispiel}
-\subsection{mesomeric}\label{ssec:mesomeric}\index{mesomeric|(}\index{commands!mesomeric}
-The \lstinline=\mesomeric= command works just like \lstinline=\branch= (see \ref{ssec:branch}) but places the formul\ae\ into square brackets.
-\begin{lstlisting}
- \mesomeric[<pos>,<anchor>,<tikz>]{<formula>}
-\end{lstlisting}
-The resonance formul\ae\ are written into \lstinline=<formula>=. With \lstinline=\marrow= (see \ref{ssec:marrow}) you create the resonance arrows. If needed you can give an anchor (\lstinline=<anchor>=) to \lstinline=\mesomeric= (also see \ref{ssec:branch}). Alignment is used the same way as with \lstinline=\reactant=.
-\begin{Example}
+\subsection{\cmd{mesomeric}}\label{ssec:mesomeric}
+The \cmd{mesomeric} command works just like \cmd{branch} (see section~\ref{ssec:branch})
+but places the formul\ae\ into square brackets.
+\begin{beschreibung}
+ \Befehl{mesomeric}[<pos>,<anchor>,<tikz>]{<formula>}
+\end{beschreibung}
+The resonance formul\ae\ are written into \code{<formula>}. With \cmd{marrow}
+(see section~\ref{ssec:marrow}) you can create the resonance arrows. If needed
+you can give an anchor (\code{<anchor>}) to \cmd{mesomeric} (also see
+section~\ref{ssec:branch}). Alignment is used the same way as with \cmd{reactant}.
+\begin{beispiel}
\begin{rxn}
\mesomeric{
\reactant{
- \chemfig{*6(=[@{e1}]-=-(-[:120]X)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])}
+ \chemfig{*6(=[@{e1}]-=-(-[:120]X)(-[:60]H)-(-[:-30,.4,,,white]\fplus)-[@{e2}])}
\elmove{e1}{60:4mm}{e2}{0:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]X)(-[:60]H)-=)}
+ \chemfig{*6(-(-[:90,.4,,,white]\fplus)-[@{e4}]=[@{e3}]-(-[:120]X)(-[:60]H)-=)}
\elmove{e3}{180:4mm}{e4}{150:4mm}
}
\marrow
\reactant{
- \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]X)(-[:60]H)-=)}
+ \chemfig{*6(-=-(-[:-150,.4,,,white]\fplus)-(-[:120]X)(-[:60]H)-=)}
}
}
\end{rxn}
-\end{Example}
+\end{beispiel}
+
Or vertical, too:
-\begin{SideBySideExample}
+\begin{beispiel}
\begin{rxn}
\mesomeric{
\reactant{ \chemfig{*6(=-=-=-)} }
@@ -1402,95 +1308,108 @@ Or vertical, too:
\reactant[below]{ \chemfig{*6(-=-=-=)} }
}
\end{rxn}
-\end{SideBySideExample}
+\end{beispiel}
+
Or maybe a coordination complex?
-\begin{Example}
+\begin{beispiel}
\begin{rxn}
\setatomsep{3em}
\mesomeric[,a]{
\reactant{ \chemfig{H_3\lewis{0,N}-[,1.35,,,dotted]{Cu}(-[2,,,,dotted]\lewis{6,N}H_3)(-[6,,,,dotted]\lewis{2,N}H_3)-[,1.2,,,dotted]\lewis{4,N}H_3} }
}
- \node[above right=of a,yshift=-1em] {$2\oplus$};
- \end{rxn}
-\end{Example}
-\index{mesomeric|)}
-
-\subsection{reactant}\label{ssec:reactant}\index{reactant|(}\index{commands!reactant}
-\lstinline=\reactant=\footnote{In earlier versions it was called \texttt{\textbackslash reactand}. You can still use it.} is something like the basic command.
-\begin{lstlisting}
- \reactant[<pos>,<name>,<tikz>]{<formula>}
-\end{lstlisting}
-Formul\ae\ (\lstinline=<formula>=) are written inside this command and can be named (\lstinline=<name>=) for other objects to refer to. \lstinline+<pos>+ can either be one of these key words
-\begin{alphlist}
- \item \lstinline+right+,
- \item \lstinline+above right+,
- \item \lstinline+above+,
- \item \lstinline+above left+,
- \item \lstinline+left+,
- \item \lstinline+below left+,
- \item \lstinline+below+,
- \item \lstinline+below right+
-\end{alphlist}
-\NEU%
-or be an angle from the intervall $[\ang{-360};\ang{360}]$. You also can position it relativ to another object via \lstinline+<anchor>.<angle>+. The default equals \lstinline+\reactant[0]{}+.
-\begin{SideBySideExample}
+ \node[above right=of a,yshift=-1em] {$2\fplus$};
+ \end{rxn}
+\end{beispiel}
+
+\subsection{\cmd{reactant}}\label{ssec:reactant}
+\cmd{reactant} is something like the basic command.
+\begin{beschreibung}
+ \Befehl{reactant}[<pos>,<name>,<tikz>]{<formula>}
+\end{beschreibung}
+Formul\ae\ (\code{<formula>}) are written inside this command and can be named
+(\code{<name>}) for other objects to refer to. \code{<pos>} can either be one of
+these key words
+\begin{enumerate}
+ \item \code{right},
+ \item \code{above right},
+ \item \code{above},
+ \item \code{above left},
+ \item \code{left},
+ \item \code{below left},
+ \item \code{below},
+ \item \code{below right}
+\end{enumerate}
+or be an angle from the intervall $[\ang{-360};\ang{360}]$. You also can position
+it relativ to another object via \code{<anchor>.<angle>}. The default equals
+\cmd{reactant}[0]{}.
+\begin{beispiel}
below:
\begin{rxn}
- \reactant{\ce{Br2}}
- \reactant[-90]{\ce{Cl2}}
+ \reactant{\ch{Br2}}
+ \reactant[-90]{\ch{Cl2}}
\end{rxn}
more than one reactant:
\begin{rxn}
- \reactant{\ce{Br2}}
- \reactant[-90]{\ce{I2}}
- \reactant{\ce{Cl2}}
+ \reactant{\ch{Br2}}
+ \reactant[-90]{\ch{I2}}
+ \reactant{\ch{Cl2}}
\end{rxn}
going down:
\begin{rxn}
- \reactant{\ce{Br-Br}}
+ \reactant{\ch{Br-Br}}
\arrow[-90,,.5]{$h\nu$}{}
- \reactant[-90]{\ce{2 ~\lewis{0.,Br}}}
- \end{rxn}
-\end{SideBySideExample}
-You can find many more examples in the file \texttt{examples.tex} or \texttt{examples.pdf}, resp.
-\index{reactant|)}
-
-\subsection{rxn (environment)}\label{ssec:rxn}\index{rxn|(}\index{commands!rxn|see{rxn}}\index{environment!rxn|see{rxn}}
-\lstinline=rxn= is a non-floating not numbered environment for reaction schemes. Per default all schemes are centered.
-\begin{lstlisting}
- \begin{rxn}[<alignment>,<scalefactor>]
- ...
- \end{rxn}
-\end{lstlisting}
-
-\subsubsection{Options}\label{sssec:rxn_optionen}\index{rxn!options|(}
-\NEU\lstinline=rxn= has two options, which are to be used in the following order, separated by a comma:
+ \reactant[-90]{\ch{2 "\Lewis{0.,Br}"}}
+ \end{rxn}
+\end{beispiel}
+You can find many more examples in the file \code{examples.tex} or
+\code{examples.pdf}, respectively.
+
+\subsection{rxn (environment)}\label{ssec:rxn}
+\env{rxn}{} is a non-floating not numbered environment for reaction schemes. Per
+default all schemes are centered.
+\begin{beschreibung}
+ \Umg{rxn}[<alignment>,<scalefactor>]{...}
+\end{beschreibung}
+
+\subsubsection{Options}\label{sssec:rxn_optionen}
+\env{rxn}{} has two options which are to be used in the following order, separated
+by a comma:
\begin{enumerate}
- \item\lstinline+<alignment>+\index{rxn!options!alignment} alignment behaviour of the \lstinline=rxn= environment; default is `center'.
- \item\lstinline+<scalefactor>+\index{rxn!options!scale} factor by which the \lstinline=rxn= environment is scaled; default: `1.0'. Same behaviour as with \lstinline+rxnscheme+, see \ref{ssec:rxnscheme}.
+ \item\code{<alignment>}: alignment behaviour of the \env{rxn}{} environment;
+ default is \code{center}.
+ \item\code{<scalefactor>}: factor by which the \env{rxn}{} environment is scaled;
+ default: \code{1.0}. Same behaviour as with \env{rxnscheme}, see
+ section~\ref{ssec:rxnscheme}.
\end{enumerate}
-If you use the \lstinline+scalefactor+ option, you might see strange effects on \CF formul\ae.
-\begin{SideBySideExample}
+If you use the \code{<scalefactor>} option you might see strange effects on
+\paket{chemfig} formul\ae.
+
+\begin{beispiel}
\begin{rxn}[,.5]
\reactant{\chemfig{**6(------)}}
\end{rxn}
-\end{SideBySideExample}
-Scaling does in general not affect the size of \CF formul\ae, but does scale the aromaticity ring of benzene and similar molecules. This is due to a possible bug in \CF itself.
-\begin{SideBySideExample}
+\end{beispiel}
+Scaling does in general not affect the size of \paket{chemfig} formul\ae\ but
+does scale the aromaticity ring of benzene and similar molecules. This is not
+\mychemistry's fault:
+\begin{beispiel}
\chemfig[scale=.5]{**6(------)}
-\end{SideBySideExample}
-This can be solved either by using the \emph{first} optional argument of \lstinline+\chemfig+ to undo the scaling or by using the \emph{second} optional argument to scale the rest of the molecule.
-\begin{Example}
+\end{beispiel}
+This issue can be solved either by using the \emph{first} optional argument of
+\cmd*{chemfig} to undo the scaling or by using the \emph{second} optional argument
+to scale the rest of the molecule.
+\begin{beispiel}
\begin{rxn}[,.5]
\reactant{\chemfig[scale=2]{**6(------)}}
\reactant{\chemfig[][scale=.5]{**6(------)}}
\end{rxn}
\chemfig[scale=.5][scale=.5]{**6(------)}
-\end{Example}
+\end{beispiel}
+
Alignment examples:
-\begin{Example}
+\begin{beispiel}
\begin{rxn}[center]
\reactant{center}\arrow{}{}\reactant{centered}
\end{rxn}
@@ -1500,222 +1419,252 @@ Alignment examples:
\begin{rxn}[left]
\reactant{left}\arrow{}{}\reactant{raggedright}
\end{rxn}
-\end{Example}
-\index{rxn!options|)}\index{rxn|)}
+\end{beispiel}
-\subsection{rxnscheme (environment)}\label{ssec:rxnscheme}\index{rxnscheme|(}\index{commands!rxnscheme|see{rxnscheme}}\index{environment!rxnscheme|see{rxnscheme}}
-\lstinline+rxnscheme+ is a floating environment for reaction schemes.
-\begin{lstlisting}
- \begin{rxnscheme}[<label>,<placement>,<alignment>,<scalefactor>,<name>]{<caption>}
- ...
- \end{rxnscheme}
-\end{lstlisting}
+\subsection{rxnscheme (environment)}\label{ssec:rxnscheme}
+\env{rxnscheme}{} is a floating environment for reaction schemes.
+\begin{beschreibung}
+ \Umg{rxnscheme}[<label>,<placement>,<alignment>,<scalefactor>,<name>]{\unskip\ma{<caption>} ...}
+\end{beschreibung}
-\subsubsection{Options}\label{sssec:rxnscheme_optionen}\index{rxnscheme!options|(}
-\NEU\lstinline=rxnscheme= has five options, which are to be used in the following order, separated by commas:
+\subsubsection{Options}\label{sssec:rxnscheme_optionen}
+\env{rxnscheme}{} has five options which are to be used in the following order,
+separated by commas:
\begin{enumerate}
- \item\lstinline+<label>+\index{rxnscheme!options!label} Like every other floating environment \lstinline+rxnscheme+ can be given a label. To do that, you need to use the option \lstinline+<label>+. For example if you use
-\begin{lstlisting}
+ \item\code{<label>}: Like every other floating environment \env{rxnscheme}{} can
+ be given a label. In order to do that you need to use the option \code{<label>}.
+ For example if you use
+\begin{beispiel}[code only]
\begin{rxnscheme}[rs:schema]{<caption>}
...
\end{rxnscheme}
-\end{lstlisting}
- you can refer to it by using \lstinline=\ref{rs:schema}= as usual.
- \item\lstinline+<placement>+\index{rxnscheme!options!placement} With this option you can change the placement of the float, \eg with \lstinline+htp+. The default value is \lstinline+htp+.
- \item\lstinline+<alignment>+\index{rxnscheme!options!alignment}This option changes the alignment of the scheme. You can choose between \lstinline=left=, \lstinline=center= and \lstinline=right=.
- \item\lstinline+<scalefactor>+\index{rxnscheme!options!scale} \lstinline+rxnscheme+ has another key with which the scheme can be scaled. Please keep in mind that it doesn't affect the font size and the size of \CF formul\ae. You can have strange effects on \CF formul\ae\ if you use this key, though. See \ref{sssec:rxn_optionen} for more information.
- \item\lstinline+<name>+\index{rxnscheme!options!name} This option changes the name of the actual scheme from "Reaktionschema" or "Reaction scheme" into \lstinline+<name>+.
-\begin{lstlisting}
+\end{beispiel}
+ you can refer to it by using \cmd*{ref}{rs:schema} as usual.
+ \item\code{<placement>}: With this option you can change the placement of the
+ float, \eg with \code{h}. The default value is \code{htp}.
+ \item\code{<alignment>}: This option changes the alignment of the scheme. You
+ can choose between \code{left}, \code{center} and \code{right}.
+ \item\code{<scalefactor>}: \env{rxnscheme}{} has another key with which the
+ scheme can be scaled. Please keep in mind that it doesn't affect the font size
+ and the size of \paket{chemfig}'s formul\ae. You can have strange effects on
+ \paket{chemfig}'s formul\ae\ if you use this key, though. See
+ section~\ref{sssec:rxn_optionen} for more information.
+ \item\code{<name>} This option changes the name of the actual scheme from
+ ``Reaction scheme'' into \code{<name>}.
+\begin{beispiel}[code only]
\begin{rxnscheme}[,<placement>]{<caption>}
...
\end{rxnscheme}
-\end{lstlisting}
+\end{beispiel}
\end{enumerate}
-\begin{Example}
- \begin{rxnscheme}[,H,,2]{Big scheme}
+
+\begin{beispiel}[code and float]
+ \begin{rxnscheme}[,,,2]{Big scheme}
\large\setatomsep{3.5em}
\reactant{ \chemfig{=[::30]-[::-60]OH} }
\arrow[,<=>]{}{}
\reactant{ \chemfig{-[::30]=[::-60]O} }
\end{rxnscheme}
- \begin{rxnscheme}[,H,,.5]{Small scheme}
- \tiny\setatomsep{1em}
+ \begin{rxnscheme}[,,,.5]{Small scheme}
+ \setatomsep{1.15em}\footnotesize
\reactant{ \chemfig{=[::30]-[::-60]OH} }
\arrow[,<=>]{}{}
\reactant{ \chemfig{-[::30]=[::-60]O} }
\end{rxnscheme}
- \begin{rxnscheme}[,H]{center}
+ \begin{rxnscheme}{center}
\reactant{center}\arrow{}{}\reactant{centered}
\end{rxnscheme}
- \begin{rxnscheme}[,H,right]{right}
+ \begin{rxnscheme}[,,right]{right}
\reactant{right}\arrow{}{}\reactant{raggedleft}
\end{rxnscheme}
- \begin{rxnscheme}[,H,left]{left}
+ \begin{rxnscheme}[,,left]{left}
\reactant{left}\arrow{}{}\reactant{raggedright}
\end{rxnscheme}
-\end{Example}
-\index{rxnscheme!options|)}
-
-\subsubsection{Customizing rxnscheme}\index{rxnscheme!customize|(}
-\paragraph{Style}\index{rxnscheme!customize!style}
-If you don't like the style of \lstinline+rxnscheme+ you can change it by using
-\begin{lstlisting}
- \floatstyle{<new style>}
- \restylefloat{rxnfloat}
-\end{lstlisting}
-There are different possible styles, privided by the `float' package:
+\end{beispiel}
+
+\subsubsection{Customizing rxnscheme}
+\paragraph{Style}
+If you don't like the style of \env{rxnscheme}{} you can change it by using
+\begin{beschreibung}
+ \Befehl{floatstyle}{<new style>}
+ \Befehl{rxnfloat}
+\end{beschreibung}
+There are different possible styles, provided by the \paket{float} package:
\begin{description}
- \vitem=plain= without any special formatting, the caption is below the object
- \vitem=plaintop= like \lstinline=plain=, but the caption is placed above the object
- \vitem=boxed= the object is boxed, the caption placed below
- \vitem=ruled= the caption is placed above the object framed by to rules, one above and one below, another rule frames the object below; default for \lstinline+rxnscheme+
+ \item[\code{plain}] without any special formatting, the caption is below the object.
+ \item[\code{plaintop}] like \code{plain} but the caption is placed above the object.
+ \item[\code{boxed}] the object is boxed, the caption placed below.
+ \item[\code{ruled}] the caption is placed above the object framed by two rules,
+ one above and one below, another rule frames the object below; default for
+ \env{rxnscheme}{}.
\end{description}
-\begin{Example}
- \begin{rxnscheme}[,H]{ruled}
+
+\begin{beispiel}[code and float]
+ \begin{rxnscheme}{ruled}
\reactant{default style}
\end{rxnscheme}
\floatstyle{boxed}
\restylefloat{rxnfloat}
- \begin{rxnscheme}[,H]{boxed}
+ \begin{rxnscheme}{boxed}
\reactant{framed object}
\end{rxnscheme}
\floatstyle{plain}
\restylefloat{rxnfloat}
- \begin{rxnscheme}[,H]{plain}
+ \begin{rxnscheme}{plain}
\reactant{without any special formatting}
\end{rxnscheme}
-\end{Example}
+\end{beispiel}
\floatstyle{ruled}
\restylefloat{rxnfloat}
-\paragraph{Placement}\index{rxnscheme!customize!placement}
-Usually floating environments have an optional argument for their placement. \lstinline=rxnscheme='s default placement is \lstinline=H= which means, it is placed \emph{exactly here}. If you want to change it into \lstinline=htp= or something, you can use
-\begin{lstlisting}
- \floatplacement{rxnfloat}{<placement>}
-\end{lstlisting}
-It's easier, though, loading \mC with the `placement' option:
-\begin{lstlisting}
+
+\paragraph{Placement}
+Usually floating environments have an optional argument for their placement.
+The default placement is \code{htp}. If you want to change it into \code{H} or
+something, you can use
+\begin{beschreibung}
+ \Befehl{floatplacement}{rxnfloat}\ma{<placement>}
+\end{beschreibung}
+
+It's easier, though, loading \mychemistry with the \key{placement} option:
+\begin{beispiel}[code only]
\usepackage[placement=<placement>]{mychemistry}
-\end{lstlisting}
-This will change the default placement behaviour from \lstinline=H= to \lstinline=<placement>=. You can also change the placement behaviour of just one \lstinline+rxnscheme+ environment by using the placement option:
-\begin{lstlisting}
+\end{beispiel}
+
+This will change the default placement behaviour from \code{htp} to \code{<placement>}.
+You can also change the placement behaviour of just one \env{rxnscheme}{} by
+using the placement option:
+\begin{beispiel}[code only]
\begin{rxnscheme}[,<placement>]{<caption>}
...
\end{rxnscheme}
-\end{lstlisting}
-
-\paragraph{Name}\label{par:rxnscheme_name}\index{rxnscheme!customize!name}
-If you want to change the name of reaction scheme\footnote{You probably do. You reading the English documention means probably, that you're not German.}, you can do that with
-\begin{lstlisting}
- \setschemename{<new name>}
-\end{lstlisting}
-The default name is "Reaktionschema" or, with package option `english', "Reaction scheme".
-\paragraph{Counter}\index{rxnscheme!customize!counter}
+\end{beispiel}
+
+\paragraph{Name}\label{par:rxnscheme_name}
+If you want to change the name of reaction scheme you can do that with
+\begin{beschreibung}
+ \Befehl{setschemename}{<new name>}
+\end{beschreibung}
+The default name is ``Reaction scheme'' but can change depending on the language
+you've loaded with \paket{babel}.
+
+\paragraph{Counter}
The counter can be changed just as usual. For example by using
-\begin{lstlisting}
+\begin{beispiel}[code only]
\makeatletter
\@addtoreset{rxnfloat}{section}
\makeatletter
- \renewcommand{\therxnscheme}{\arabic{section}.\arabic{rxnscheme}}
-\end{lstlisting}
-the counter is reset with every new section an looks like \lstinline+section.rxnscheme+. Please be aware, that you have to write \lstinline=\@addtoreset= between \lstinline=\makeatletter= and \lstinline=\makeatother= because of the {@}.
-\paragraph{List of schemes}\index{rxnscheme!customize!list}
+ \renewcommand*\therxnscheme{\arabic{section}.\arabic{rxnscheme}}
+\end{beispiel}
+the counter is reset with every new section an looks like \code{section.rxnscheme}.
+
+\paragraph{List of Schemes}
By writing
-\begin{lstlisting}
- \listof{rxnfloat}{<title>}
-\end{lstlisting}
-you can create a list of all schemes created with \lstinline+rxnscheme+.
-\begin{SideBySideExample}
+\begin{beschreibung}
+ \Befehl{listof}{rxnfloat}\ma{<title>}
+\end{beschreibung}
+you can create a list of all schemes created with \env{rxnscheme}{}.
+\begin{beispiel}
\listof{rxnfloat}{Reaction schemes}
-\end{SideBySideExample}
-\index{rxnscheme!customize|)}\index{rxnscheme|)}
-
-\subsection{setarrowlabel}\label{ssec:setarrowlabel}\index{setarrowlabel|(}\index{commands!setarrowlabel}
-\NEU%
-The distance of arrow labels to the arrow has a default value of \SI{0.2}{\emlength}. You can change this with
-\begin{lstlisting}
- \setarrowlabel{<distance>}
-\end{lstlisting}
-into \lstinline+<distance>+.
-\begin{SideBySideExample}
+\end{beispiel}
+
+\subsection{\cmd{setarrowlabel}}\label{ssec:setarrowlabel}
+The distance of arrow labels to the arrow has a default value of \SI{0.2}{em}.
+You can change this with
+\begin{beschreibung}
+ \Befehl{setarrowlabel}{<distance>}
+\end{beschreibung}
+into \code{<distance>}.
+\begin{beispiel}
\begin{rxn}
\arrow{a}{b}
\setarrowlabel{.5em}
\arrow{a}{b}
\end{rxn}
-\end{SideBySideExample}
-\index{setarrowlabel|)}
+\end{beispiel}
-\subsection{setarrowlength}\label{ssec:setarrowlength}\index{setarrowlength|(}\index{commands!setarrowlength}
-The default length of an reaction arrow is \SI{4}{\emlength}. You can change this value with
-\begin{lstlisting}
- \setarrowlength{<length>}
-\end{lstlisting}
-into \lstinline+<length>+. Mind the fact that you have to use a length unit. If you leave the argument empty, the length is reset to default.
-\index{setarrowlength|)}
+\subsection{\cmd{setarrowlength}}\label{ssec:setarrowlength}
+The default length of an reaction arrow is \SI{4}{em}. You can change this value
+with
+\begin{beschreibung}
+ \Befehl{setarrowlength}{<length>}
+\end{beschreibung}
+into \code{<length>}. Mind the fact that you have to use a length unit. If you
+leave the argument empty the length is reset to default.
-\subsection{setatomsize}\label{ssec:setatomsize}\index{setatomsize|(}\index{commands!setatomsize}
+\subsection{\cmd{setatomsize}}\label{ssec:setatomsize}
With
-\begin{lstlisting}
- \setatomsize{<font size>}
-\end{lstlisting}
-you can change the font size of the atom groups. Default value is \lstinline=\small=. If you leave the argument empty, the size is reset to default.
-\index{setatomsize|)}
+\begin{beschreibung}
+ \Befehl{setatomsize}{<font size>}
+\end{beschreibung}
+you can change the font size of the atom groups. Default value is \cmd*{small}.
+If you leave the argument empty the size is reset to default.
-\subsection{setbondlength}\label{ssec:setbondlength}\index{setbondlength|(}\index{commands!setbondlength}
+\subsection{\cmd{setbondlength}}\label{ssec:setbondlength}
With
-\begin{lstlisting}
- \setbondlength{<length>}
-\end{lstlisting}
-you can change \lstinline=\setatomsep{<length>}= for all \CF formul\ae\ \emph{inside} of the \mC environments. Default value is \SI{1.8}{\emlength}. If you leave the argument empty, the length is reset to default.
-\index{setbondlength|)}
-
-\subsection{setarrowline}\label{ssec:setarrowline}\index{setarrowline|(}\index{Befehle!setarrowline}
-\NEU%
+\begin{beschreibung}
+ \Befehl{setbondlength}{<length>}
+\end{beschreibung}
+you can change \cmd{setatomsep}{<length>}= for all \paket{chemfig} formul\ae\
+\emph{inside} of the \mychemistry environments. The default value is \SI{1.8}{em}.
+If you leave the argument empty the length is reset to default.
+
+\subsection{\cmd{setarrowline}}\label{ssec:setarrowline}
With the command
-\begin{lstlisting}
- \setarrowline{<value>}
-\end{lstlisting}
+\begin{beschreibung}
+ \Befehl{setarrowline}{<value>}
+\end{beschreibung}
the thickness of the arrows can be customized. Possible values are
\begin{flushleft}
\begin{tikzpicture}
- \draw[ultra thin] (0,0)--(1,0)node[right]{\tt ultra thin};
- \draw[very thin] (0,-.5)--(1,-.5)node[right]{\tt very thin};
- \draw[thin] (0,-1)--(1,-1)node[right]{\tt thin};
- \draw[semithick] (0,-1.5)--(1,-1.5)node[right]{{\tt semithick} (default)};
- \draw[thick] (0,-2)--(1,-2)node[right]{\tt thick};
- \draw[very thick] (0,-2.5)--(1,-2.5)node[right]{\tt very thick};
- \draw[ultra thick] (0,-3)--(1,-3)node[right]{\tt ultra thick};
+ \draw[ultra thin] (0,0)--(1,0)node[right]{\ttfamily ultra thin};
+ \draw[very thin] (0,-.5)--(1,-.5)node[right]{\ttfamily very thin};
+ \draw[thin] (0,-1)--(1,-1)node[right]{\ttfamily thin};
+ \draw[semithick] (0,-1.5)--(1,-1.5)node[right]{{\ttfamily semithick} (default)};
+ \draw[thick] (0,-2)--(1,-2)node[right]{\ttfamily thick};
+ \draw[very thick] (0,-2.5)--(1,-2.5)node[right]{\ttfamily very thick};
+ \draw[ultra thick] (0,-3)--(1,-3)node[right]{\ttfamily ultra thick};
\end{tikzpicture}
\end{flushleft}
-The values \lstinline+very thick+ and \lstinline+ultra thick+ should not be used.
-This command also applies to \lstinline+\merge+\index{merge}.
-\index{setarrowline|)}
+This command also applies to \cmd{merge}.
-\subsection{setbondshape}\label{ssec:setbondshape}\index{setbondshape|(}\index{commands!setbondshape}
+\subsection{\cmd{setbondshape}}\label{ssec:setbondshape}
With
-\begin{lstlisting}
- \setbondshape{<base length>}{<dash thickness>}{<dash spacing>}
-\end{lstlisting}
-you can change \lstinline=\setcrambond{<base length>}{<dash thickness>}{<dash spacing>}= for all \CF formul\ae\ \emph{inside} of the \mC environments. Default values are (in this order) \SI{3}{\pt}, \SI{.5}{\pt} and \SI{1}{\pt}. If you leave an argument empty, the value is reset to default.
-\index{setbondshape|)}
-
-\subsection{setmergelength}\label{ssec:setmergelength}\index{setmergelength|(}\index{commands!setmergelength}
-\NEU%
+\begin{beschreibung}
+ \Befehl{setbondshape}{<base length>}\ma{<dash thickness>}\ma{<dash spacing>}
+\end{beschreibung}
+you can change \cmd{setcrambond}{<base length>}\ma{<dash thickness>}\ma{<dash spacing>}
+for all \paket{chemfig} formul\ae\ \emph{inside} of the \mychemistry environments.
+Default values are (in this order) \SI{3}{pt}, \SI{.5}{pt} and \SI{1}{pt}. If
+you leave an argument empty the value is reset to default.
+
+\subsection{\cmd{setelmove}}\label{ssec:setelmove}
+The command
+\begin{beschreibung}
+ \Befehl{setelmove}{<tikz>}
+\end{beschreibung}
+sets the default style that is used for the lines drawn by \cmd{elmove}. An empty
+argument resets to \code{->,red,shorten <=3pt,shorten >=1pt}.
+
+\subsection{\cmd{setmergelength}}\label{ssec:setmergelength}
With
-\begin{lstlisting}
- \setmergelength{<länge>}
-\end{lstlisting}
-you can change the length of the \lstinline+\merge+ arrow. More precisely you can change the length of the arrow from the point of line crossing to the arrow tip (see \ref{ssec:merge}). If you leave an argument empty, the value is reset to default (\SI{3}{\emlength}).
-\index{setmergelength|)}
-
-\subsection{setrcndist}\label{ssec:setrcndist}\index{setrcndist|(}\index{commands!setrcndist}
-The nodes within which the reactants an arrows are set have a certain distance between them. The default distance is \SI{1}{\emlength}. If you want to change that, you can use
-\begin{lstlisting}
- \setrcndist{<länge>}
-\end{lstlisting}
-If you leave the argument empty, the distance is reset to \SI{1}{\emlength}.
-\begin{SideBySideExample}
+\begin{beschreibung}
+ \Befehl{setmergelength}{<length>}
+\end{beschreibung}
+you can change the length of the \cmd{merge} arrow. More precisely you can change
+the length of the arrow from the point of line crossing to the arrow tip (see
+section~\ref{ssec:merge}). If you leave the argument empty the value is reset to
+default (\SI{3}{em}).
+
+\subsection{\cmd{setrcndist}}\label{ssec:setrcndist}
+The nodes within which the reactants an arrows are set have a certain distance
+between them. The default distance is \SI{1}{em}. If you want to change that you
+can use
+\begin{beschreibung}
+ \Befehl{setrcndist}{<length>}
+\end{beschreibung}
+If you leave the argument empty the distance is reset to \SI{1}{em}.
+\begin{beispiel}
\setrcndist{2em}
\begin{rxn}
\reactant{A}\arrow{}{}
@@ -1724,19 +1673,21 @@ If you leave the argument empty, the distance is reset to \SI{1}{\emlength}.
\begin{rxn}
\reactant{A}\arrow{}{}
\end{rxn}
-\end{SideBySideExample}
-\index{setrcndist|)}
+\end{beispiel}
-\subsection{setrxnalign/setschemealign}\label{ssec:setrxnalign}\label{ssec:setschemealign}\index{setrxnalign|(}\index{commands!setrxnalign}\index{setschemealign|(}\index{commands!setschemealign}
+\subsection{\cmd{setrxnalign}/\cmd{setschemealign}}\label{ssec:setrxnalign}\label{ssec:setschemealign}
With the commands
-\begin{lstlisting}
- \setrxnalign{<alignment>}
- \setschemealign{<alignment>}
-\end{lstlisting}
-The default alignment behaviour of \lstinline+rxn+ and \lstinline+rxnscheme+ (see \ref{sssec:rxn_optionen} \&\ \ref{sssec:rxnscheme_optionen}) can be set. You can choose between \lstinline=left=, \lstinline=center= and \lstinline=right=.
-
-If you leave the argument empty, \mC's default behaviour (\lstinline=center=) is restored.
-\begin{Example}
+\begin{beschreibung}
+ \Befehl{setrxnalign}{<alignment>}
+ \Befehl{setschemealign}{<alignment>}
+\end{beschreibung}
+The default alignment behaviour of \env{rxn}{} and \env{rxnscheme}{} (see
+sections~\ref{sssec:rxn_optionen} and \ref{sssec:rxnscheme_optionen}) can be set.
+You can choose between \code{left}, \code{center} and \code{right}.
+
+If you leave the argument empty \mychemistry's default behaviour (\code{center})
+is restored.
+\begin{beispiel}
\setrxnalign{right}
\begin{rxn}
\reactant{A}\arrow{}{}\reactant{B}
@@ -1745,44 +1696,26 @@ If you leave the argument empty, \mC's default behaviour (\lstinline=center=) is
\begin{rxn}
\reactant{A}\arrow{}{}\reactant{B}
\end{rxn}
-\end{Example}
-\index{setrxnalign|)}\index{setschemealign|)}
+\end{beispiel}
-\subsection{setschemename}\label{ssec:setschemename}\index{setschemename|(}\index{commands!setschemename}
-See \ref{par:rxnscheme_name}.
-\index{setschemename|)}
+\subsection{\cmd{setschemename}}\label{ssec:setschemename}
+See page~\pageref{par:rxnscheme_name}.
-\subsection{transition}\label{ssec:transition}\index{transition|(}\index{commands!transition}
-\lstinline=\transition= works exactly like \lstinline=\reactant= (see \ref{ssec:reactant}).
-\begin{lstlisting}
- \transition[<pos>,<anchor>,<tikz>]{<formula>}
-\end{lstlisting}
-\begin{SideBySideExample}
+\subsection{\cmd{transition}}\label{ssec:transition}
+\cmd{transition} works exactly like \cmd{reactant} (see section~\ref{ssec:reactant}).
+\begin{beschreibung}
+ \Befehl{transition}[<pos>,<anchor>,<tikz>]{<formula>}
+\end{beschreibung}
+\begin{beispiel}
\begin{rxn}
- \reactant{ \ce{H2 + I2} }
+ \reactant{ \ch{H2 + I2} }
\arrow[below,<=>,.5]{}{}
\transition[below]{ \chemfig[dotted][]{H?-I-[2]I-[4]H?} }
\arrow[below,<=>,.5]{}{}
- \reactant[below]{ \ce{2 HI} }
+ \reactant[below]{ \ch{2 HI} }
\end{rxn}
-\end{SideBySideExample}
-\index{transition|)}
-
-\section{Epilogue}
-\mC is still very new. This means there are probably a number of bugs I haven't discovered yet. There also might be missing one or two features, that would be useful. Since I only can test and work on \mC in my spare time, I'd be very glad about \emph{every} kind of feedback. If you like \mC, why don't you help me improve it by telling me your experiences?
-
-I tried using real chemical reactions but I didn't make sure, that they all make sense chemically. So you shouldn't trust the examples in respect to chemistry but rather take a look into a real chemistry teaching book.
-
-I apologize for any bad or wrong English. I hope you understood the documention anyway.
-
-Have fun with \mC!
-
-\par\vspace{.5cm}\hspace{.5cm}Clemens Niederberger, Berlin, \mCdate{en}
-
-\section{Thanks}
-I owe thanks for bug reports and suggestions to:
-
-F.\,Chervet, Ferghun, V.\,Garibal and C.\,Tellechea (who pointed out some essential issues).
+\end{beispiel}
+\appendix
\printindex
\end{document} \ No newline at end of file
generated by cgit v1.2.3 (git 2.39.1) at 2024-12-26 20:22:12 +0000