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-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.tex64
1 files changed, 41 insertions, 23 deletions
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.tex
index 6dbe65850f0..9efa1992357 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.tex
@@ -5,7 +5,7 @@
% - macros and commands for chemists - %
% --------------------------------------------------------------------------- %
% - Clemens Niederberger - %
-% - 2012/02/01 - %
+% - 2012/02/03 - %
% --------------------------------------------------------------------------- %
% - http://www.mychemistry.eu/ - %
% - contact@mychemistry.eu - %
@@ -155,7 +155,9 @@ I would guess that nearly every chemist using \LaTeXe\ is aware of the great \pa
As a chemist you are probably aware of the fact that the \textsc{United Nations} have developed the “\textbf{G}lobally \textbf{H}armonized \textbf{S}ystem of Classification and Labelling of Chemicals” (GHS) as a global replacement for the various different systems in different countries. While it has not been implemented by all countries yet\footnote{\url{http://www.unece.org/trans/danger/publi/ghs/implementation_e.html}}, it as only a matter of time. The package \ghsystem now enables you to typeset all the hazard and precautionary statements and pictograms in a very easy way.
-\section{Loading the Bundle}\secidx{Loading the Bundle}
+\section{Installation, Loading the Bundle}\secidx{Loading the Bundle}\secidx{Installation}
+The bundle comes with three style files\footnote{Those ending \texttt{sty}.}, a directory called \texttt{language/} containing the language-definition files for GHS (ending \texttt{def}), and a directory \texttt{pictures/} containing \texttt{eps}, \texttt{jpg} and \texttt{png} files (the GHS pictogramms). If you install the bundle manually \emph{please make sure to place the directories \texttt{language/} and \texttt{pictures/} in the \emph{same} directory as the style files}.
+
Loading \chemmacros with
\begin{beispiel}[code only]
\usepackage{chemmacros} % `chemmacros', `formula' and `ghs' are loaded
@@ -173,7 +175,7 @@ Loading \chemformula or \ghsystem explicitly is possible and will also load \che
\end{beispiel}
However, it is recommended to simply use \lstinline=\usepackage{chemmacros}= and setup the required options with \lstinline=\chemsetup= (also see section \ref{sec:setup}).
-\secidx*{Loading the Bundle}
+\secidx*{Installation}\secidx*{Loading the Bundle}
\section{Package Options}\label{sec:optionen}\secidx{Package Options}
\chemmacros has several package options. They all are used as key/value pairs like
@@ -184,23 +186,24 @@ Some also can be used without value (\lstinline+\usepackage[option1]{chemmacros}
Both \chemformula and \ghsystem don't have package options of their own. If you load them explicitly you can give them \chemmacros' options instead and they will pass them on to \chemmacros.
\begin{description}
- \item \key[option]{bpchem}{\uline{true}/false} This option loads the package \paket{bpchem} and adjusts the layout of the \cmd{NMR} command to the \paket{bpchem} commands \lstinline+\HNMR+ and \lstinline+\CNMR+. (default: \texttt{false})
- \item \key[option]{circled}{\uline{formal}/all/none} \chemmacros uses two different kinds of charges\footnote{Thanks to Christoph Sch\"afer, who pointed out to me, that v1.1 handled the charges too sloppy!}, which indicate the usage of real ($+/-$) and formal (\fplus/\fminus) charges. The option \texttt{formal} distinguishes between them, option \texttt{none} displays them all without circle, option \texttt{all} circles all (default: \texttt{formal})
- \item \key[option]{circletype}{\uline{chem}/math} This option switches between two kinds of circled charge symbols: \cmd{fplus} \fplus\ and \lstinline+$\oplus$+ $\oplus$. (default: \texttt{chem})
- \item \key[option]{detect-bold}{\uline{true}/false} This option determines wether or not macros like \cmd{pKa} recognize a bold font series. \textbf{bold \pKa text} or {\chemsetup[option]{detect-bold}\textbf{bold \pKa text}}. (default: \texttt{false})
- \item \key[option]{EZ}{\uline{chemmacros}/cool} The command \cmd{E} is defined by the package \paket{cool} as well as by \chemmacros. With this option you can choose, which definition is used, see page \pageref{EZ}. (default: \texttt{chemmacros})
- \item \key[option]{german}{\uline{true}/false} This option changes the commands \cmd{pKa}, \cmd{sld} and \cmd{lqd} (default: \texttt{false}). This option has the alias \key[option]{ngerman}.
- \item \key[option]{ghs}{\uline{true}/false} Disable the use of the \ghsystem package. Setting \key{ghs}{false} will prevent \chemmacros from loading \ghsystem. (default: \texttt{true})
- \item \key[option]{method}{\uline{chemformula}/mhchem} You can choose the method which \chemmacros will use for the reaction environments (see section \ref{ssec:mhchem_reaktionen}) and the typesetting of the particles (see section \ref{sec:teilchen}). (default: \texttt{chemformula}). This option can only be chosen in the preamble.
- \item \key[option]{strict}{\uline{true}/false} Setting \key{strict}{true} will turn all warning messages into erros messages. (default: \texttt{false})
- \item \key[option]{synchronize}{\uline{true}/false} The setting \texttt{true} will tell \chemmacros the adapt the font settings of \chemformula if that method has been chosen (default: \texttt{false}). In order to demonstrate this feature this document is set with \key{synchronize}{true} and the \chemformula setting \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+.
- \item \key[option]{version}{1/2/bundle} This option restores the old definitions of some commands, so documents set with v1.* will still compile correctly. (default: \texttt{bundle}). Actually \texttt{2} and \texttt{bundle} are only aliases. This option can only be chosen in the preamble.
- \item \key[option]{xspace}{\uline{true}/false} With this option most commands are defined with a \lstinline+\xspace+. (default: \texttt{true})
+ \item \key[option]{bpchem}{\uline{true}/false} This option loads the package \paket{bpchem} and adjusts the layout of the \cmd{NMR} command to the \paket{bpchem} commands \lstinline+\HNMR+ and \lstinline+\CNMR+. (default = \texttt{false})
+ \item \key[option]{circled}{\uline{formal}/all/none} \chemmacros uses two different kinds of charges\footnote{Thanks to Christoph Sch\"afer, who pointed out to me, that v1.1 handled the charges too sloppy!}, which indicate the usage of real ($+/-$) and formal (\fplus/\fminus) charges. The option \texttt{formal} distinguishes between them, option \texttt{none} displays them all without circle, option \texttt{all} circles all (default = \texttt{formal})
+ \item \key[option]{circletype}{\uline{chem}/math} This option switches between two kinds of circled charge symbols: \cmd{fplus} \fplus\ and \lstinline+$\oplus$+ $\oplus$. (default = \texttt{chem})
+ \item \key[option]{detect-bold}{\uline{true}/false} This option determines wether or not macros like \cmd{pKa} recognize a bold font series. \textbf{bold \pKa text} or {\chemsetup[option]{detect-bold}\textbf{bold \pKa text}}. (default = \texttt{false})
+ \item \key[option]{EZ}{\uline{chemmacros}/cool} The command \cmd{E} is defined by the package \paket{cool} as well as by \chemmacros. With this option you can choose, which definition is used, see page \pageref{EZ}. (default = \texttt{chemmacros}). This option can only be chosen in the preamble.
+ \item \key[option]{german}{\uline{true}/false} This option changes the commands \cmd{pKa}, \cmd{sld} and \cmd{lqd} (default = \texttt{false}). This option has the alias \key[option]{ngerman}.
+ \item \key[option]{ghs}{\uline{true}/false} Disable the use of the \ghsystem package. Setting \key{ghs}{false} will prevent \chemmacros from loading \ghsystem. (default = \texttt{true})
+ \item \key[option]{method}{\uline{chemformula}/mhchem} You can choose the method which \chemmacros will use for the reaction environments (see section \ref{ssec:mhchem_reaktionen}) and the typesetting of the particles (see section \ref{sec:teilchen}). (default = \texttt{chemformula}). This option can only be chosen in the preamble.
+ \item \key[option]{Nu}{\uline{chemmacros}/mathspec} The package \paket{mathspec} also defines a macro \cmd{Nu}. This option chooses which definition holds, see page \pageref{Nu}. (default = \texttt{chemmacros}). This option can only be chosen in the preamble.
+ \item \key[option]{strict}{\uline{true}/false} Setting \key{strict}{true} will turn all warning messages into erros messages. (default = \texttt{false})
+ \item \key[option]{synchronize}{\uline{true}/false} The setting \texttt{true} will tell \chemmacros the adapt the font settings of \chemformula if that method has been chosen (default = \texttt{false}). In order to demonstrate this feature this document is set with \key{synchronize}{true} and the \chemformula setting \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+.
+ \item \key[option]{version}{1/2/bundle} This option restores the old definitions of some commands, so documents set with v1.* will still compile correctly. (default = \texttt{bundle}). Actually \texttt{2} and \texttt{bundle} are only aliases. This option can only be chosen in the preamble.
+ \item \key[option]{xspace}{\uline{true}/false} With this option most commands are defined with a \lstinline+\xspace+. (default = \texttt{true})
\end{description}
\secidx*{Package Options}
\section{Setup}\label{sec:setup}\secidx{Setup}
-Various of \chemmacros', \chemformula's and \ghsystem' commands have key/value pairs with which they can be customized. Most times they can be used as (optional) argument of the commands themselves. They also can most times be used with the \cmd{chemsetup} command.
+Various of \chemmacros', \chemformula's and \ghsystem's commands have key/value pairs with which they can be customized. Most times they can be used as (optional) argument of the commands themselves. They also can most times be used with the \cmd{chemsetup} command.
\begin{description}
\item \cmd{chemsetup}[<module>]{<key> = <value>} or
\item \cmd{chemsetup}{<module>/<key> = <value>}
@@ -217,12 +220,13 @@ The package options can also be seen as keys belonging to the module \textcolor{
\end{beispiel}
Keys \emph{not} belonging to a module \emph{cannot} be used with \cmd{chemsetup}!
-All options of \chemformula belong to the module \textcolor{module}{\texttt{chemformula}} and all of \ghsystem' options belong to the module \textcolor{module}{\texttt{ghs}}.
+All options of \chemformula belong to the module \textcolor{module}{\texttt{chemformula}} and all of \ghsystem's options belong to the module \textcolor{module}{\texttt{ghs}}.
\secidx*{Setup}
\secidx*{PRELIMINARIES}
\part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS}
\section{Particles, Ions and Symbols}\label{sec:teilchen}\secidx{Particles, Ions and Symbols}
+\subsection{Predefined}\secidx[predefined]{Particles, Ions and Symbols}
Some simple macros for displaying often needed particles and a symbol. Please note, that they're displayed differently depending on the package options used, see section \ref{sec:optionen}. These commands can be used in text as well as in math mode.
\begin{description}
\item \cmd{Hpl} \Hpl (proton)
@@ -232,7 +236,7 @@ Some simple macros for displaying often needed particles and a symbol. Please no
\item \cmd{el} \el (electron)
\item \cmd{prt} \prt (proton)
\item \cmd{ntr} \ntr (neutron)
- \item \cmd{Nu} \Nu (nucleophile)
+ \item \cmd{Nu} \Nu (nucleophile). The package \paket{mathspec} also defines a macro \cmd{Nu}. If you chose package option \key[option]{Nu}{mathspec} \chemmacros defines \cmd{Nuc} instead\label{Nu}.
\item \cmd{El} \El (electrophile)
\item \cmd{ba} \ba (base)
\item \cmd{fplus} \fplus
@@ -260,11 +264,24 @@ It only has any effect, if the package \paket{chemfig} is loaded, since it uses
\chemsetup[particle]{elpair}
\ba \Nu
\end{beispiel}
+
+\subsection{Own Particles}\secidx[own]{Particles, Ions and Symbols}
+If you like you can define your own particles using
+\begin{description}
+ \item \cmd{DeclareParticle}{<cmd>}\ma{<definition>}
+\end{description}
+Depending on the \key{method} you chose as option the \texttt{<definition>} will either be formula defined with \paket{mhchem} or with \chemformula. The particle defined this way behaves like the predefined ones with one exception: if you chose \key{method}{mhchem} the particle \emph{will not} obey the option \key{circled}. If you want formal charges with this method you need to use \chemmacros' commands (see section \ref{sec:ladungen}) explicitly. If you chose \key{method}{chemformula} the partictle \emph{will} obey the \key{circled} option.
+\begin{beispiel}
+ \DeclareParticle{\Sod}{Na+}
+ \DeclareParticle{\Pot}{K+}
+ \Sod \Pot \chemsetup[option]{circled=all} \Sod \Pot
+\end{beispiel}
+The particles are only defined if the \texttt{<cmd>} you chose is not already used by any other command. If it is already used \chemmacros will either give a warning or an error, depending on the option \key{strict}.
\secidx*{Particles, Ions and Symbols}
\section{Stereo Descriptors, Nomenclature, Latin Phrases}\label{sec:stereo}
\subsection{IUPAC Names}\secidx{IUPAC Names}
-Similar to the \paket{bpchem} package \chemmacros provides a command\footnote{The idea and the implementation is borrowed from \paket*{bpchem} by Bjørn Pedersen.} to typeset IUPAC names. Why is that useful? IUPAC names can get very long. So long indeed that they span over more than two lines, especially in two-column documents. This means they must be allowed to be broken more than one time. This is what the following command does.
+Similar to the \paket{bpchem} package \chemmacros provides a command\footnote{The idea and the implementation is shamelessly borrowed from \paket*{bpchem} by Bjørn Pedersen.} to typeset IUPAC names. Why is that useful? IUPAC names can get very long. So long indeed that they span over more than two lines, especially in two-column documents. This means they must be allowed to be broken more than one time. This is what the following command does.
\begin{description}
\item\cmd{iupac}{<IUPAC name>} Inside this command use \cmd{\textbar} and \cmd{-} to indicate a breaking point or a breaking dash. Use \cmd{\textasciicircum} as a shortcut for \lstinline=\textsuperscript=\footnote{Actually \cmd{\textasciicircum} uses a \chemformula command instead.}.
\end{description}
@@ -1090,7 +1107,8 @@ Some keys can be set without value. Then the \uline{underlined} value is used.
EZ & option & \uline{chemmacros}/cool & chemmacros & page \pageref{key:option_EZ} \\
german & option & \uline{true}/false & false & page \pageref{key:option_german} \\
ghs & option & \uline{true}/false & true & page \pageref{key:option_ghs} \\
- method & option & \uline{chemformula}/formula & formula & page \pageref{key:option_method} \\
+ method & option & \uline{chemformula}/formula & formula & page \pageref{key:option_method} \\
+ Nu & option & \uline{chemmacros}/mathspec & chemmacros & page \pageref{key:option_Nu} \\
strict & option & \uline{true}/false & false & page \pageref{key:option_strict} \\
synchronize & option & \uline{true}/false & false & page \pageref{key:option_synchronize} \\
version & option & 1/2/bundle & bundle & page \pageref{key:option_version} \\
@@ -1718,7 +1736,7 @@ This section just presents some examples of a possible usage.
\part{\texorpdfstring{\Ghsystem}{ghsystem}}\secidx{GHSYSTEM}
\section{Setup}
-All of \ghsystem' options belong to the module \textcolor{module}{\texttt{ghsystem}}. This means they can be setup with
+All of \ghsystem's options belong to the module \textcolor{module}{\texttt{ghsystem}}. This means they can be setup with
\begin{beispiel}[code only]
\chemsetup[ghsystem]{<options>} or
\chemsetup{ghsystem/<option1>,ghsystem/<option2>}
@@ -1839,7 +1857,7 @@ The command
\begin{description}
\item\cmd{ghspic}[<options>]{<name>}
\end{description}
-loads them. \ref{tab:ghs_pictograms} shows all available pictograms and their names.
+loads them. \ref{tab:ghs_pictograms} shows all available pictograms and their names. To be more precise: it shows the names to use with the \cmd{ghspic} command. The file names are \lstinline=ghsystem_<name>.<filetype>= where \texttt{<filetype>} is \texttt{eps}, \texttt{jpg} or \texttt{png}, see also section \ref{ssec:picture_type}.
\begin{beispiel}
\ghspic{skull}
\end{beispiel}
@@ -1891,7 +1909,7 @@ If you want to use some specific \lstinline=\includegraphics= options, \eg if yo
aqpol & \ghspic{aqpol} & & \\
\end{longtable}
-\subsection{Picture Type Depending on Engine}
+\subsection{Picture Type Depending on Engine}\label{ssec:picture_type}
As you probably know you can't use every picture type with every compiler engine. \pdfTeX\ in \textsc{dvi} mode \emph{needs} \texttt{eps} pictures while \pdfTeX\ in \textsc{pdf} mode, \XeTeX\ and \LuaTeX\ convert \texttt{eps} pictures into \texttt{pdf} files, given they have the rights to write in the directory the pictures are saved in.
However, the latter can include \texttt{jpg} and \texttt{png} without any problems, while \pdfTeX\ in \textsc{dvi} mode can't.