chemmacros (24aug13)

git-svn-id: svn://tug.org/texlive/trunk@31513 c570f23f-e606-0410-a88d-b1316a301751

13 files changed, 457 insertions, 291 deletions

diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README
index 4e707a06fc2..ccd9d3eb0c7 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/README
+++ b/Master/texmf-dist/doc/latex/chemmacros/README
@@ -1,12 +1,12 @@
 --------------------------------------------------------------------------
 the CHEMMACROS bundle
--> chemmacros package v4.0  -> macros and commands for chemists
--> chemformula package v4.0 -> typeset chemical compounds and reactions
+-> chemmacros package v4.1  -> macros and commands for chemists
+-> chemformula package v4.1 -> typeset chemical compounds and reactions
 -> ghsystem package v4.0    -> typeset H & P statements and pictograms
                                from the globally harmonised system (GHS)
--> chemgreek package v0.1a  -> handle mapping of upright greek letters to
+-> chemgreek package v0.2   -> handle mapping of upright greek letters to
                                the \chemalpha ... commands
-2013/07/06
+2013/08/24
 --------------------------------------------------------------------------
 This bundle succeeds the chemmacros package which is now part of the
 bundle
@@ -29,14 +29,6 @@ This work has the LPPL maintenance status `maintained'.
 
 The Current Maintainer of this work is Clemens Niederberger.
 --------------------------------------------------------------------------
-INSTALLATION NOTES:
-Please make sure you have the directories
- language/
- pictures/
-and the regarding files in it (*.def or *.eps,*.jpg,*png, or *.pdf respectively)
-in the _same_ directory as the style files.
-(probably something like $TEXMF/texmf/tex/latex/chemmacros/)
---------------------------------------------------------------------------
 The chemmacros bundle consists of the following files
 package files:
  - chemmacros.sty,
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.pdf
index d998e09c4b7..2dc25020cab 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.tex
index fe4a075664b..2d7864629a1 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemformula_en.tex
@@ -22,12 +22,18 @@
 
 \usepackage{chemfig,booktabs,cancel}
 \usepackage[version=3]{mhchem}
+
 \usepackage{fontspec}
 \usepackage[oldstyle,proportional]{libertine}
+\expandafter\def\csname libertine@figurestyle\endcsname{LF}
 \usepackage[libertine]{newtxmath}
+\expandafter\def\csname libertine@figurestyle\endcsname{OsF}
+
 \usepackage{libertinehologopatch}
 \setmonofont[Scale=MatchLowercase]{Bitstream Vera Sans Mono}
 
+% \usepackage{selnolig}
+
 \cnpkgusecolorscheme{friendly}
 \renewcommand*\othersectionlevelsformat[3]{%
   \textcolor{main}{#3\autodot}\enskip}
@@ -209,7 +215,7 @@
  \redox(r1,r2)[blue,pencil,-cf][-1]{\small\ch[font-spec={[Color=blue]Augie},math-space=.3em]{$+$ 2 e-}}}
 
 \addcmds{
-  a, abinitio, AddRxnDesc, anti, aq, aqi,
+  a, abinitio, addplot, AddRxnDesc, anti, aq, aqi,
   b, ba, bond, bottomrule, bridge,
   cancel, cd, cdot, ce, cee, celsius, centering, chemabove, Chemalpha,
     Chembeta, Chemgamma, Chemdelta, ChemDelta, chemfig, chemname, Chemomega,
@@ -285,48 +291,7 @@
 
 \renewcommand*\AmS{\hologo{AmS}}
 
-\newcommand*\Default[1]{%
-  \hfill\llap{%
-    \ifblank{#1}
-      {(initially~empty)}
-      {Default:~\code{#1}}%
-    }\newline
-}
 
-\usepackage{marginnote,ragged2e}
-\makeatletter
-\providecommand*\sinceversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Introduced in version~#1}}%
-  \@esphack}
-\providecommand*\changedversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Changed in version~#1}}%
-  \@esphack}
-
-\RenewDocumentCommand\CTANurl{O{macros/latex/contrib}m}
-  {%
-    on CTAN: %
-    \hyper@linkurl{#2}{http://mirrors.ctan.org/#1/#2/}%
-  }
-\ExplSyntaxOn
-\RenewDocumentCommand \paket { sO{macros/latex/contrib}m }
-  {
-    \paketfont { #3 }
-    \index { #3 @ \paketfont { #3 } }
-    \prop_if_in:NnF \g_cnpkgdoc_pakete_prop { #3 }
-      {
-        \prop_gput:Nnn \g_cnpkgdoc_pakete_prop { #3 } {}
-        \IfBooleanF { #1 }
-          { \footnote { \CTANurl[]{#3}  }  }
-      }
-  }
-\ExplSyntaxOff
-\makeatother
 
 \begin{document}
 
@@ -491,6 +456,10 @@ There are a few possibilities to customize the output.
    The symbol to indicate the decimal.
  \Option{frac-style}{math|xfrac|nicefrac}\Default{math}
    Determines how fractions are displayed.
+ \Option{frac-math-cmd}{<command sequence>}\Default{\cmd*{frac}}
+   \sinceversion{4.1}Allows you to choose which command is used with
+   \key{frac-style}{math}.  This needs to be a command sequence that takes two
+   arguments that are set in math mode.
  \Option{stoich-space}{<skip>}\Default{.1667em plus .0333em minus .0117em}
    The space that is placed after the stoichiometric factor.  A rubber
    length.
@@ -781,6 +750,9 @@ These options allow you to customize the ouptut of the compounds:
    Space between bond and atoms.
  \Option{bond-style}{<tikz>}\Default{}
    \TikZ\ options for the bonds.
+ \Option{bond-penalty}{<num>}\Default{10000}
+   \sinceversion{4.0a}The penalty that is inserted after a bond for
+   (dis-)allowing line breaks.
  \Option{radical-style}{<tikz>}\Default{}
    \TikZ\ options for the radical point.
  \Option{radical-radius}{<dim>}\Default{.2ex}
@@ -900,6 +872,9 @@ The space left and right of the plus sign can be set with this option:
 \begin{beschreibung}
  \Option{plus-space}{<skip>}\Default{.3em plus .1em minus .1em}
    A rubber length.
+ \Option{plus-penalty}{<num>}\Default{700}
+   \sinceversion{4.0a}The penalty that is inserted after the plus sign for
+   (dis-)allowing line breaks.
 \end{beschreibung}
 \begin{beispiel}
  \ch{A + B}\\
@@ -990,7 +965,7 @@ There are various different types:
    standard left arrow
  \Befehl{ch}{ -/> } \ch{-/>}\newline
    does not react (right)
- \Befehl{ch}{ </- } \ch{}</-\newline
+ \Befehl{ch}{ </- } \ch{</-}\newline
    does not react (left)
  \Befehl{ch}{ <-> } \ch{<->}\newline
    resonance arrow
@@ -1067,7 +1042,8 @@ These are the options which enable you to customize the arrows:
    This is the length that an arrow protrudes a label on both sides.  This
    means an empty arrow's length is two times \code{arrow-offset}.
  \Option{arrow-min-length}{<dim>}\Default{0pt}
-   The minimal length an error must have unless two times \key{arrow-offset}
+   \sinceversion{3.6b}The minimal length an error must have unless two times
+   \key{arrow-offset}
    plus the width of the label is larger.
  \Option{arrow-yshift}{<dim>}\Default{0pt}
    Shifts an arrow up (positive value) or down (negative value).
@@ -1081,6 +1057,9 @@ These are the options which enable you to customize the arrows:
    The space between the labels and the arrows.
  \Option{label-style}{<font command>}\Default{\cmd*{footnotesize}}
    The relative font size of the labels.
+ \Option{arrow-penalty}{<num>}\Default{0}
+   \sinceversion{4.0a}The penalty that is inserted after an arrow for
+   (dis-)allowing line breaks.
 \end{beschreibung}
 
 The following code shows the effect of the different options on the \lstinline+<=>>+
@@ -1300,6 +1279,34 @@ the optional arguments of \lstinline+\\+ inside \cmd{ch}.
 \end{beispiel}
 \secidx*{Math Environments}
 
+\section{Usage with \TikZ{} or \paket*{pgfplots} and externalization}
+\sinceversion{4.1}
+\noindent
+Since \chemformula{} uses \TikZ{} to draw reaction arrows and bonds they would
+be externalized, too, if you use that facility with \TikZ{} or
+\paket{pgfplots}\footnote{\CTANurl{pgfplots}}.  This may not be desirable
+since they are very small pictures maybe containing of a single line.  This is
+why \chemformula's default behaviour is to disable externalization for it's
+bonds and arrows.  This can be turned on and off through the following option:
+\begin{beschreibung}
+  \Option{tikz-external-disable}{\default{true}|false}\Default{true}
+    dis- or enable \TikZ' externalization mechanism for \chemformula's arrows
+    and bonds.
+\end{beschreibung}
+
+If you should be using a formula that contains bonds or arrows inside of a
+\code{tikzpicture} that is externalized you should locally enable it for
+\chemformula, too:
+
+\begin{beispiel}[code only]
+  \begin{tikzpicture}
+    \setchemformula{tikz-external-disable=false}
+    \begin{axis}[xlabel={\ch{2 H+ + 2 e- -> H2}}]
+      \addplot ... ;
+    \end{axis}
+  \end{tikzpicture}
+\end{beispiel}
+
 \section{Further Examples}
 This section presents some examples of a possible usage.
 
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.pdf
index c049a7d9937..9aa4a941e6e 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.tex
index fd4470c097a..6132029a8f1 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemgreek_en.tex
@@ -4,7 +4,7 @@
 % !arara: xelatex
 \documentclass[DIV11,toc=index,toc=bib]{cnpkgdoc}
 \docsetup{
-  pkg      = {[greek=math]chemmacros},
+  pkg      = {[greek=newtx]chemmacros},
   language = en,
   title    = the \Chemmacros\ bundle,
   subtitle = {
@@ -17,6 +17,8 @@
   code-box = {skipabove=1ex,skipbelow=1ex},
   label    = {},
   name     = chemgreek,
+  version  = \csname chemgreek@version\endcsname ,
+  date     = \csname chemgreek@date\endcsname ,
   url      = https://bitbucket.org/cgnieder/chemmacros/
 }
 
@@ -290,49 +292,6 @@
 
 \renewcommand*\AmS{\hologo{AmS}}
 
-\newcommand*\Default[1]{%
-  \hfill\llap{%
-    \ifblank{#1}
-      {(initially~empty)}
-      {Default:~\code{#1}}%
-    }\newline
-}
-
-\usepackage{marginnote,ragged2e}
-\makeatletter
-\providecommand*\sinceversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Introduced in version~#1}}%
-  \@esphack}
-\providecommand*\changedversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Changed in version~#1}}%
-  \@esphack}
-
-\RenewDocumentCommand\CTANurl{O{macros/latex/contrib}m}
-  {%
-    on CTAN: %
-    \hyper@linkurl{#2}{http://mirrors.ctan.org/#1/#2/}%
-  }
-\ExplSyntaxOn
-\RenewDocumentCommand \paket { sO{macros/latex/contrib}m }
-  {
-    \paketfont { #3 }
-    \index { #3 @ \paketfont { #3 } }
-    \prop_if_in:NnF \g_cnpkgdoc_pakete_prop { #3 }
-      {
-        \prop_gput:Nnn \g_cnpkgdoc_pakete_prop { #3 } {}
-        \IfBooleanF { #1 }
-          { \footnote { \CTANurl[]{#3}  }  }
-      }
-  }
-\ExplSyntaxOff
-\makeatother
-
 \newcommand*\tablehead[1]{\textrm{\bfseries#1}}
 
 \begin{document}
@@ -348,7 +307,11 @@ some a whole alphabet some only the upright variants of the standard italic
 symbols for which macros are defined in base \LaTeX.
 
 \chemgreek\ offers a possibility to map those different interfaces to a
-unified set of macros for usage in a chemistry package.
+unified set of macros for usage in a chemistry package.  This is useful as
+then for example names like \iupac{\b\-\D\-gluco\|pyranose} can be typeset
+with a semantic interface and still have matching greek letters while the user
+is not limited to a certain package or font.  Consequently this package is
+used by \chemmacros\ and its \acs{iupac} naming commands.
 
 \section{Licence and Requirements}
 Permission is granted to copy, distribute and/or modify this software under
@@ -361,6 +324,7 @@ the terms of the \LaTeX\ project public license (lppl) version 1.3 or later
 \paket*{xparse}\footnote{\CTANurl{l3packages}}.
 
 \section{Define Mappings}
+\selectchemgreekmapping{default}
 
 \chemgreek's main commands are:
 \begin{beschreibung}
@@ -368,7 +332,7 @@ the terms of the \LaTeX\ project public license (lppl) version 1.3 or later
     Add a new mapping to \chemgreek.  Issue an error if it already exists.
   \Befehl{renewchemgreekmapping}{<name>}\ma{<mapping list>}\newline
     Renew a \chemgreek\ mapping.  Issue an error if it doesn't exist yet.
-  \Befehl{newchemgreekmapping}{<name>}\ma{<mapping list>}\newline
+  \Befehl{declarechemgreekmapping}{<name>}\ma{<mapping list>}\newline
     Declare a new mapping to \chemgreek.  If the mapping already exists it
     will be overwritten.
 \end{beschreibung}
@@ -443,6 +407,8 @@ in table~\ref{tab:mappings}.
       upgreek     & \paket*{upgreek} \\
       newtx       & \paket*{newtxmath} \\
       kpfonts     & \paket*{kpfonts} \\
+      mathdesign  & \paket*{mathdesign} \\
+      fourier     & \paket*{fourier} \\
     \bottomrule
   \end{tabular}
   \caption{Predefined mappings.}
@@ -490,6 +456,21 @@ mapping afterwards:
   \Chemalpha
 \end{beispiel}
 
+\section{Inspecting a Mapping}
+If you want to check if a mapping has been correctly set you can use
+\begin{beschreibung}
+  \Befehl{showchemgreekmapping}{<mapping>}
+\end{beschreibung}
+which will typeset a table (using a simple \code{tabular} environment) with
+all 48 characters like the one shown in table~\ref{tab:showmapping}.
+
+\begin{table}[htbp]
+  \centering
+  \showchemgreekmapping{newtx}
+  \caption{A demonstration of the \cmd*{showchemgreekmapping} command.}
+  \label{tab:showmapping}
+\end{table}
+
 \appendix
 
 \printindex
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
index 9d5ce9ef37d..e2d05df574d 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
index 7f924875d57..ae8c16ccbc9 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
@@ -1,7 +1,7 @@
 % arara: xelatex
 % !arara: biber
-% !arara: xelatex
-% !arara: xelatex
+% arara: xelatex
+% arara: xelatex
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % ----------------------------------------------------------------------------- 
 % - the CHEMMACROS bundle
@@ -97,6 +97,12 @@
   pdfstring = EU ,
   accsupp   = EU
 }
+\DeclareAcronym{id}{
+  short     = id ,
+  long      = identification string ,
+  pdfstring = ID ,
+  accsupp   = ID
+}
 \DeclareAcronym{iupac}{
   short     = iupac ,
   long      = International Union of Pure and Applied Chemistry ,
@@ -113,7 +119,7 @@
   short     = dvi ,
   long      = device independent file format ,
   pdfstring = DVI ,
-  accsupp   = DVO
+  accsupp   = DVI
 }
 \DeclareAcronym{pdf}{
   short     = pdf ,
@@ -156,6 +162,16 @@
 \usepackage[backend=biber,style=alphabetic,maxbibnames=20]{biblatex}
 \addbibresource{\jobname.bib}
 \begin{filecontents*}{\jobname.bib}
+@book{iupac:bluebook,
+  author    = {R. Panico and W. H. Powell and J-C. Richer},
+  title     = {“Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F, and H”, \acs{iupac}
+    Blue Book},
+  edition   = {\mkbibacro{DRAFT}},
+  date      = {2004-10-07},
+  url       =
+  {http://old.iupac.org/reports/provisional/abstract04/BB-prs310305/CompleteDraft.pdf},
+  urldate   = {2013-07-07}
+}
 @book{iupac:greenbook,
   author    = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and
     Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and
@@ -264,7 +280,7 @@
   includegraphics, insitu, intertext, invacuo, iupac, IUPAC,
   J, joule,
   Ka, Kb, kilo, Kw,
-  L, latin, lewis, Lewis, Lfi, listofreactions, lqd, ltn,
+  L, latin, lc, lewis, Lewis, Lfi, listofreactions, lqd, ltn,
   mch, mega, meta, metre, mhName, midrule, milli, mmHg, mole,
   N, nano, nicefrac, newman, NMR, Nu, Nuc, num, numrange,
   O, ominus, orbital, ortho, oplus, ox, OX,
@@ -322,52 +338,9 @@
 }
 \providecommand*\chemgreek{{\scshape\textcolor{main}{chemgreek}}\xspace}
 
-\newcommand*\Default[1]{%
-  \hfill\llap{%
-    \ifblank{#1}
-      {(initially~empty)}
-      {Default:~\code{#1}}%
-    }\newline
-}
-
-\usepackage{marginnote,ragged2e}
-\makeatletter
-\providecommand*\sinceversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Introduced in version~#1}}%
-  \@esphack}
-\providecommand*\changedversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Changed in version~#1}}%
-  \@esphack}
-
-\RenewDocumentCommand\CTANurl{O{macros/latex/contrib}m}
-  {%
-    on CTAN: %
-    \hyper@linkurl{#2}{http://mirrors.ctan.org/#1/#2/}%
-  }
-\ExplSyntaxOn
-\RenewDocumentCommand \paket { sO{macros/latex/contrib}m }
-  {
-    \paketfont { #3 }
-    \index { #3 @ \paketfont { #3 } }
-    \prop_if_in:NnF \g_cnpkgdoc_pakete_prop { #3 }
-      {
-        \prop_gput:Nnn \g_cnpkgdoc_pakete_prop { #3 } {}
-        \IfBooleanF { #1 }
-          { \footnote { \CTANurl[]{#3}  }  }
-      }
-  }
-\ExplSyntaxOff
-\makeatother
-
 \DeclareChemPhase{\aqi}{aq,$\infty$}% aqueous solution at infinite dilution
 \DeclareChemPhase{\cd}{cd}% condensed phase
-\RenewChemPhase{\lqd}{lc}% liquid crystal
+\DeclareChemPhase{\lc}{lc}% liquid crystal
 
 \begin{document}
 
@@ -383,7 +356,7 @@ The \chemmacros\ bundle needs the bundles \paket{l3kernel} and
 \paket{mathtools}, \paket{bm}, \paket{nicefrac} and \paket{environ} as well as
 \paket*{tikz}\footnote{\CTANurl[graphics]{pgf}} and the \TikZ libraries
 \code{calc} and \code{arrows}.  Language support is done with the help of the
-\paket*{translations} package from the \paket{exsheets} bundle.  The
+\paket{translations} package from the \paket{exsheets} bundle.  The
 \chemmacros\ package also loads the other packages of this bundle.
 
 The package option \key{xspace} also loads the package \paket{xspace}.
@@ -433,7 +406,7 @@ There are four points I hope I have achieved with this bundle:
  \item the commands shall not only make typesetting easier and faster but also
    the document source more readable with respect to semantics
    (\code{\cmd{ortho}-dichlorobenzene} is easier to read and understand than
-   \code{\cmd*{textsl}{o}-dichlorobenzene})
+   \code{\cmd*{textit}{o}-dichlorobenzene})
  \item as much customizability as I could think of so every user can adapt the
    commands to his or her own wishes
  \item default settings compliant with the recommendations of the \acf{iupac}.
@@ -905,6 +878,15 @@ in the default setting.
  \Befehl{para} \para
 \end{beschreibung}
 
+Although these commands are provided I like to cite~\cite{iupac:bluebook}:
+
+\begin{zitat}[{\acs{iupac} Blue Book {\cite[][p.\,90]{iupac:bluebook}}}]
+  The letters \ortho, \meta, and \para\ have been used in place of
+  \textit{ortho}, \textit{meta}, and \textit{para}, respectively, to designate
+  the 1,2- 1,3-, and 1,4- isomers of disubstituted benzene.  This usage is
+  strongly discouraged and is not used in preferred \acs{iupac} names.
+\end{zitat}
+
 \paragraph{Absolute Configuration}\index{absolute configuration} (uses \TikZ)
 \begin{beschreibung}
  \Befehl{Rconf}[<letter>] \cmd{Rconf}: \Rconf \quad\cmd{Rconf}[]: \Rconf[]
@@ -1039,7 +1021,8 @@ By the way: \cmd*{mmHg} \si{\mmHg} already is defined by \paket{siunitx} and
 \section{Acid/Base}\label{sec:saeure_base}\secidx{Acid/Base}
 
 Easy representation of \pH, \pKa \ldots\ (the command \cmd{pKa} depends on the
-package option \key[option]{language}).
+package option \key[option]{language}). The translations may be adapted,
+though, see section~\ref{sec:languages}.
 \begin{beschreibung}
  \Befehl{pH} \pH
  \Befehl{pOH} \pOH
@@ -2103,11 +2086,31 @@ declaration commands of \chemmacros\ \cmd{DeclareChemPhase} and
  % preamble:
  % \DeclareChemPhase{\aqi}{aq,$\infty$}% aqueous solution at infinite dilution
  % \DeclareChemPhase{\cd}{cd}% condensed phase
- % \RenewChemPhase{\lqd}{lc}% liquid crystal
- NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lqd \\
+ % \DeclareChemPhase{\lc}{lc}% liquid crystal
+ NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lc \\
  \chemsetup[phases]{pos=sub}
- NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lqd
+ NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lc
+\end{beispiel}
+
+\subsection{Language Dependencies}\secidx[internationalization]{Phases}
+For each pahse command a translation into the custom language can be defined.
+If a phase is declared with \cmd{DeclareChemPhase} no translation exists and
+for every \paket{babel} languuage the literal string is used that was provided
+as a definition.  Let's say you define the phase
+\begin{beispiel}[code only]
+ \DeclareChemPhase\liquid{l}
 \end{beispiel}
+and want to add the German translation ``f{}l''.  Then you could do
+\begin{beispiel}[code only]
+ \DeclareTranslation{German}{phase-liquid}{f{}l}
+\end{beispiel}
+This way, when you use it in a German document using the appropriate
+\paket{babel} option using \cmd*{liquid} would correctly translate.  For this
+the package \paket{translations} is used.  The \acs{id} always is
+\code{phase-<csname>} where \code{<csname>} is the name of the phase command
+you defined without leading backslash.
+
+See section~\ref{sec:languages} for predefined translations.
 \secidx*{Phases}
 
 \section{Newman Projections}\label{sec:newman}\secidx{Newman Projections}
diff --git a/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.pdf
index eefcfbf083a..3f04b35d2f0 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.tex b/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.tex
index 9ca8cd2b3d7..e96adeea541 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/ghsystem_en.tex
@@ -286,49 +286,6 @@
 
 \renewcommand*\AmS{\hologo{AmS}}
 
-\newcommand*\Default[1]{%
-  \hfill\llap{%
-    \ifblank{#1}
-      {(initially~empty)}
-      {Default:~\code{#1}}%
-    }\newline
-}
-
-\usepackage{marginnote,ragged2e}
-\makeatletter
-\providecommand*\sinceversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Introduced in version~#1}}%
-  \@esphack}
-\providecommand*\changedversion[1]{%
-  \@bsphack
-  \marginnote{%
-    \footnotesize\sffamily\RaggedRight
-    \textcolor{black!75}{Changed in version~#1}}%
-  \@esphack}
-
-\RenewDocumentCommand\CTANurl{O{macros/latex/contrib}m}
-  {%
-    on CTAN: %
-    \hyper@linkurl{#2}{http://mirrors.ctan.org/#1/#2/}%
-  }
-\ExplSyntaxOn
-\RenewDocumentCommand \paket { sO{macros/latex/contrib}m }
-  {
-    \paketfont { #3 }
-    \index { #3 @ \paketfont { #3 } }
-    \prop_if_in:NnF \g_cnpkgdoc_pakete_prop { #3 }
-      {
-        \prop_gput:Nnn \g_cnpkgdoc_pakete_prop { #3 } {}
-        \IfBooleanF { #1 }
-          { \footnote { \CTANurl[]{#3}  }  }
-      }
-  }
-\ExplSyntaxOff
-\makeatother
-
 \newcommand*\tablehead[1]{\textrm{\bfseries#1}}
 
 \begin{document}
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
index b29047b1e3d..d041025fe17 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
@@ -27,8 +27,8 @@
 % --------------------------------------------------------------------------
 \RequirePackage{ expl3 , xparse , l3keys2e , tikz , amsmath , xfrac , nicefrac , scrlfile }
 \usetikzlibrary{arrows}
-\def\chemformula@version{4.0}
-\def\chemformula@date{2013/07/06}
+\def\chemformula@version{4.1}
+\def\chemformula@date{2013/08/24}
 
 \ProvidesExplPackage
   {chemformula}
@@ -167,7 +167,7 @@
 % variants of kernel functions:
 \cs_generate_variant:Nn \keys_set:nn       { nV }
 \cs_generate_variant:Nn \tl_if_blank:nF    { V }
-\cs_generate_variant:Nn \tl_if_in:nnT      { x }
+\cs_generate_variant:Nn \tl_if_in:nnT      { x , nV }
 \cs_generate_variant:Nn \prop_get:Nn       { NV }
 \cs_generate_variant:Nn \tl_set_rescan:Nnn { NnV }
 
@@ -248,6 +248,8 @@
 \bool_new:N      \l__chemformula_fss_shape_bool
 \bool_new:N      \l__chemformula_name_width_bool
 \bool_new:N      \l__chemformula_charge_full_shift_bool
+\bool_new:N      \l__chemformula_tikzexternaldisable_bool
+\bool_set_true:N \l__chemformula_tikzexternaldisable_bool
 
 % dimensions:
 \dim_new:N  \l__chemformula_arrow_length_dim
@@ -311,6 +313,12 @@
 \tl_set:Nn    \l__chemformula_arrow_label_style_tl { \footnotesize }
 \tl_new:N     \l__chemformula_arrow_tmp_tl
 \tl_new:N     \l__chemformula_arrow_type_tl
+\tl_new:N     \l__chemformula_arrow_penalty_tl
+\tl_set:Nn    \l__chemformula_arrow_penalty_tl { 0 }
+\tl_new:N     \l__chemformula_plus_penalty_tl
+\tl_set:Nn    \l__chemformula_plus_penalty_tl { 700 }
+\tl_new:N     \l__chemformula_bond_penalty_tl
+\tl_set:Nn    \l__chemformula_bond_penalty_tl { 10000 }
 \tl_new:N     \l__chemformula_name_tmp_tl
 \tl_new:N     \l__chemformula_chemformula_tmpa_tl
 \tl_new:N     \g__chemformula_options_tl
@@ -385,6 +393,15 @@
     \chemformula_nobreak:
   }
 
+\cs_new_protected:Npn \chemformula_skip_nobreak_penalty:Nn #1#2
+  {
+    \chemformula_nobreak:
+    \skip_horizontal:N #1
+    \tex_penalty:D #2 \scan_stop:
+  }
+% \binoppenalty=\maxdimen
+% \relpenalty=\maxdimen
+
 \cs_new_protected:Npn \chemformula_dim_to_width:Nn #1#2
   {
     \hbox_set:Nn \l__chemformula_tmpa_box { #2 }
@@ -399,6 +416,22 @@
   { \use:c { if #1 } \prg_return_true: \else: \prg_return_false: \fi: }
 
 % --------------------------------------------------------------------------
+% prevent externalisation of tikz parts of the formulae:
+\AtBeginDocument { \providecommand \tikzexternaldisable {} }
+
+\keys_define:nn { chemmacros / chemformula }
+  {
+    tikz-external-disable .bool_set:N  =
+      \l__chemformula_tikzexternaldisable_bool
+  }
+
+\cs_new_protected:Npn \chemformula_tikzexternaldisable:
+  {
+    \bool_if:NT \l__chemformula_tikzexternaldisable_bool
+      { \tikzexternaldisable }
+  }
+
+% --------------------------------------------------------------------------
 % circled charge signs:
 \cs_new_protected:Npn \chemformula_fplus:
   { \ensuremath { \__chemformula_fplus: } }
@@ -645,9 +678,9 @@
       { \dim_set_eq:NN \l__chemformula_arrow_length_dim \l__chemformula_tmpa_dim }
       { \dim_set_eq:NN \l__chemformula_arrow_length_dim \l__chemformula_tmpb_dim }
     \dim_add:Nn \l__chemformula_arrow_length_dim
-      { \l__chemformula_arrow_offset_dim }
-    \dim_add:Nn \l__chemformula_arrow_length_dim
-      { \l__chemformula_arrow_offset_dim }
+      { 2\l__chemformula_arrow_offset_dim }
+%    \dim_add:Nn \l__chemformula_arrow_length_dim
+%      { \l__chemformula_arrow_offset_dim }
     \dim_compare:nF
       { \l__chemformula_arrow_length_dim > \l__chemformula_arrow_minimum_length_dim }
       {
@@ -657,15 +690,12 @@
       }
     \dim_set:Nn \l__chemformula_arrow_shortage_dim
       {
-        \l__chemformula_arrow_length_dim *
-        \dim_ratio:nn { \l__chemformula_arrow_ratio_tl pt } { 1pt }
-      }
-    \dim_set:Nn \l__chemformula_arrow_shortage_dim
-      { \l__chemformula_arrow_length_dim - \l__chemformula_arrow_shortage_dim }
-    \dim_set:Nn \l__chemformula_arrow_shortage_dim
-      {
-        \l__chemformula_arrow_shortage_dim *
-        \dim_ratio:nn { 1pt } { 2pt }
+        (
+          \l__chemformula_arrow_length_dim
+          -
+          \l__chemformula_arrow_length_dim *
+          \dim_ratio:nn { \l__chemformula_arrow_ratio_tl pt } { 1pt }
+        ) * 1/2
       }
   }
 
@@ -701,14 +731,17 @@
 % this will be \arrow inside \ch
 \DeclareDocumentCommand \charrow { mO{}O{} }
   {
-    \__chemformula_arrows_get:n { #1 }
-    \chemformula_arrow_labels:nn { #2 } { #3 }
+    \group_begin:
+      \chemformula_tikzexternaldisable:
+      \__chemformula_arrows_get:n { #1 }
+      \chemformula_arrow_labels:nn { #2 } { #3 }
+    \group_end:
   }
 
 % draw the arrows
 \cs_new:Npn \__chemformula_arrow_draw:n #1
   {
-    \chemformula_allow_break:
+    \chemformula_nobreak:
     % prepare arrow code for drawing:
     \tl_set_rescan:Nnn \l__chemformula_tmpc_tl
       { \char_set_catcode_letter:N \_ } { #1 }
@@ -723,18 +756,18 @@
         \chemformula_draw:xn
           { \l__chemformula_arrow_style_tl }
           {
-            coordinate (chemformula_arrow_start) (0,0)
-            ++ (\l__chemformula_compound_sep_dim,.3432em)
-            ++ (0,\l__chemformula_arrow_yshift_dim)
+            coordinate (chemformula_arrow_start) (0pt,0pt)
+            ++ ( \l__chemformula_compound_sep_dim , .3432em)
+            ++ (0pt,\l__chemformula_arrow_yshift_dim)
             coordinate (cf_arrow_start)
-            ++ ( .5 * \dim_use:N \l__chemformula_arrow_length_dim , 0)
+            ++ ( .5 * \dim_use:N \l__chemformula_arrow_length_dim , 0pt)
             coordinate (cf_arrow_mid)
-            ++ ( .5 * \dim_use:N \l__chemformula_arrow_length_dim , 0)
+            ++ ( .5 * \dim_use:N \l__chemformula_arrow_length_dim , 0pt)
             coordinate (cf_arrow_end)
-            ++ (\l__chemformula_compound_sep_dim,0)
-            (cf_arrow_start) ++ (\l__chemformula_arrow_shortage_dim,0)
+            ++ ( \l__chemformula_compound_sep_dim , 0pt )
+            (cf_arrow_start) ++ (\l__chemformula_arrow_shortage_dim , 0pt)
             coordinate (cf_arrow_mid_start)
-            (cf_arrow_end) ++ (-\l__chemformula_arrow_shortage_dim , 0)
+            (cf_arrow_end) ++ (-\l__chemformula_arrow_shortage_dim , 0pt)
             coordinate (cf_arrow_mid_end)
           }
         % the arrow labels:
@@ -748,7 +781,9 @@
           ;
         \tl_use:N \l__chemformula_tmpc_tl
       }
-    \chemformula_allow_break:
+    \chemformula_skip_nobreak_penalty:Nn
+      \c_zero_skip
+      { \l__chemformula_arrow_penalty_tl }
   }
 \cs_generate_variant:Nn \__chemformula_arrow_draw:n { V }
 
@@ -844,7 +879,8 @@
     label-offset     .dim_set:N = \l__chemformula_arrow_label_offset_dim ,
     compound-sep     .dim_set:N = \l__chemformula_compound_sep_dim ,
     arrow-style      .tl_set:N  = \l__chemformula_arrow_style_tl ,
-    label-style      .tl_set:N  = \l__chemformula_arrow_label_style_tl
+    label-style      .tl_set:N  = \l__chemformula_arrow_label_style_tl ,
+    arrow-penalty    .tl_set:N  = \l__chemformula_arrow_penalty_tl
   }
 
 % --------------------------------------------------------------------------
@@ -1000,7 +1036,7 @@
     \prop_map_inline:Nn \l__chemformula_arrows_code_prop
       {
         \tl_set_rescan:Nnn \l__chemformula_tmpa_tl {} { ##1 }
-        \tl_if_in:noT { #1 } { \l__chemformula_tmpa_tl }
+        \tl_if_in:nVT { #1 } \l__chemformula_tmpa_tl
           { \bool_set_true:N \l__chemformula_is_arrow_bool }
       }
   }
@@ -1143,25 +1179,30 @@
 \cs_new_protected:Npn \chemformula_bond:n #1
   {
     \chemformula_skip_nobreak:N \l__chemformula_bond_space_dim
+    \group_begin:
+    \chemformula_tikzexternaldisable:
     \chemformula_tikz:nn
       {
-        inner~sep   = 0 ,
-        outer~sep   = 0 ,
+        inner~sep   = 0pt ,
+        outer~sep   = 0pt ,
         text~height = 1em ,
         baseline    = (chemformula-bond-ground.base)
       }
       {
         \draw node[draw=none,minimum~height=1em,minimum~width=0]
-          (chemformula-bond-ground) at (0,0) {};
-        \draw (chemformula-bond-ground) ++ (0,-.1716em)
+          (chemformula-bond-ground) at (0pt,0pt) {};
+        \draw (chemformula-bond-ground) ++ (0pt,-.1716em)
           coordinate (chemformula-bond-start) ;
-        \draw (chemformula-bond-start) ++(\l__chemformula_bond_dim ,0)
+        \draw (chemformula-bond-start) ++(\l__chemformula_bond_dim ,0pt)
           coordinate (chemformula-bond-end) ;
         \tl_if_blank:nTF { #1 }
           { \__chemformula_bond_draw:n { single } }
           { \__chemformula_bond_draw:n { #1 } }
       }
-    \chemformula_skip_nobreak:N \l__chemformula_bond_space_dim
+    \group_end:
+    \chemformula_skip_nobreak_penalty:Nn
+      \l__chemformula_bond_space_dim
+      { \l__chemformula_bond_penalty_tl }
   }
 
 \cs_new_protected:Npn \__chemformula_bond_draw:n #1
@@ -1222,10 +1263,10 @@
 
 \DeclareChemBond{double}
   {
-    \draw (chemformula-bond-start) ++ (0,.0858em) coordinate (double-start-up) ;
-    \draw (chemformula-bond-end) ++ (0,.0858em) coordinate (double-end-up) ;
-    \draw (chemformula-bond-start) ++ (0,-.0858em) coordinate (double-start-down) ;
-    \draw (chemformula-bond-end) ++ (0,-.0858em) coordinate (double-end-down) ;
+    \draw (chemformula-bond-start) ++ (0pt,.0858em) coordinate (double-start-up) ;
+    \draw (chemformula-bond-end) ++ (0pt,.0858em) coordinate (double-end-up) ;
+    \draw (chemformula-bond-start) ++ (0pt,-.0858em) coordinate (double-start-down) ;
+    \draw (chemformula-bond-end) ++ (0pt,-.0858em) coordinate (double-end-down) ;
     \draw[chembond]
       (double-start-down) -- (double-end-down)
       (double-start-up) -- (double-end-up) ;
@@ -1234,10 +1275,10 @@
 
 \DeclareChemBond{semidouble}
   {
-    \draw (chemformula-bond-start) ++ (0,.0858em) coordinate (double-start-up) ;
-    \draw (chemformula-bond-end) ++ (0,.0858em) coordinate (double-end-up) ;
-    \draw (chemformula-bond-start) ++ (0,-.0858em) coordinate (double-start-down) ;
-    \draw (chemformula-bond-end) ++ (0,-.0858em) coordinate (double-end-down) ;
+    \draw (chemformula-bond-start) ++ (0pt,.0858em) coordinate (double-start-up) ;
+    \draw (chemformula-bond-end) ++ (0pt,.0858em) coordinate (double-end-up) ;
+    \draw (chemformula-bond-start) ++ (0pt,-.0858em) coordinate (double-start-down) ;
+    \draw (chemformula-bond-end) ++ (0pt,-.0858em) coordinate (double-end-down) ;
     \draw[chembond] (double-start-down) -- (double-end-down) ;
     \draw[chembond,densely~dotted] (double-start-up) -- (double-end-up) ;
   }
@@ -1247,10 +1288,10 @@
 
 \DeclareChemBond{triple}
   {
-    \draw (chemformula-bond-start) ++ (0,.1287em) coordinate (triple-start-up) ;
-    \draw (chemformula-bond-end) ++ (0,.1287em) coordinate (triple-end-up) ;
-    \draw (chemformula-bond-start) ++ (0,-.1287em) coordinate (triple-start-down) ;
-    \draw (chemformula-bond-end) ++ (0,-.1287em) coordinate (triple-end-down) ;
+    \draw (chemformula-bond-start) ++ (0pt,.1287em) coordinate (triple-start-up) ;
+    \draw (chemformula-bond-end) ++ (0pt,.1287em) coordinate (triple-end-up) ;
+    \draw (chemformula-bond-start) ++ (0pt,-.1287em) coordinate (triple-start-down) ;
+    \draw (chemformula-bond-end) ++ (0pt,-.1287em) coordinate (triple-end-down) ;
     \draw[chembond]
       (triple-start-down) -- (triple-end-down)
       (chemformula-bond-start) -- (chemformula-bond-end)
@@ -1260,10 +1301,10 @@
 
 \DeclareChemBond{semitriple}
   {
-    \draw (chemformula-bond-start) ++ (0,.1287em) coordinate (triple-start-up) ;
-    \draw (chemformula-bond-end) ++ (0,.1287em) coordinate (triple-end-up) ;
-    \draw (chemformula-bond-start) ++ (0,-.1287em) coordinate (triple-start-down) ;
-    \draw (chemformula-bond-end) ++ (0,-.1287em) coordinate (triple-end-down) ;
+    \draw (chemformula-bond-start) ++ (0pt,.1287em) coordinate (triple-start-up) ;
+    \draw (chemformula-bond-end) ++ (0pt,.1287em) coordinate (triple-end-up) ;
+    \draw (chemformula-bond-start) ++ (0pt,-.1287em) coordinate (triple-start-down) ;
+    \draw (chemformula-bond-end) ++ (0pt,-.1287em) coordinate (triple-end-down) ;
     \draw[chembond]
       (triple-start-down) -- (triple-end-down)
       (chemformula-bond-start) -- (chemformula-bond-end) ;
@@ -1649,6 +1690,7 @@
         \tl_if_blank:VF \l__chemformula_stoich_tl
           {
             \tl_put_left:Nn \l__chemformula_stoich_tl { \chemformula_font_inner: }
+            % TODO: is \ExplSyntaxOn needed here?
             \tl_set_rescan:Nno \l__chemformula_stoich_tl
               { \ExplSyntaxOn }
               { \l__chemformula_stoich_tl }
@@ -1733,6 +1775,8 @@
     \tl_put_right:Nn \l__chemformula_input_tl { ) }
   }
 
+\cs_new_eq:NN \chemformula_math_frac:nn \frac
+
 \cs_new:Npn \__chemformula_frac:nn #1#2
   {
     \bool_if:NT \l__chemformula_xfrac_bool
@@ -1740,7 +1784,7 @@
     \bool_if:NT \l__chemformula_nicefrac_bool
       { \nicefrac{#1}{#2} }
     \bool_if:NT \l__chemformula_mathfrac_bool
-      { \( \frac{ \text { #1 } } { \text { #2 } } \) }
+      { \( \chemformula_math_frac:nn { \text { #1 } } { \text { #2 } } \) }
   }
 
 \cs_new:Npn \__chemformula_misc_frac:nnn #1#2#3
@@ -1750,7 +1794,7 @@
     \bool_if:NT \l__chemformula_nicefrac_bool
       { #1\nicefrac{#2}{#3} }
     \bool_if:NT \l__chemformula_mathfrac_bool
-      { #1 \( \frac{ \text { #2 } } { \text { #3 } } \) }
+      { #1 \( \chemformula_math_frac:nn { \text { #2 } } { \text { #3 } } \) }
   }
 
 % --------------------------------------------------------------------------
@@ -1955,7 +1999,9 @@
           {
             \chemformula_skip_nobreak:N \l__chemformula_plus_space_skip
             +
-            \skip_horizontal:N \l__chemformula_plus_space_skip
+            \chemformula_skip_nobreak_penalty:Nn
+              \l__chemformula_plus_space_skip
+              { \l__chemformula_plus_penalty_tl }
           }
       }
     \bool_set_false:N \l__chemformula_is_plus_bool
@@ -2211,10 +2257,13 @@
       \bool_set_false:N \l__chemformula_xfrac_bool
       \bool_set_true:N \l__chemformula_nicefrac_bool
       \bool_set_false:N \l__chemformula_mathfrac_bool ,
+    frac-math-cmd         .code:n     =
+      { \cs_set_eq:NN \chemformula_math_frac:nn #1 } ,
     stoich-paren-parse    .bool_set:N = \l__chemformula_stoich_parse_iupac_bool ,
     stoich-space          .skip_set:N = \l__chemformula_stoich_space_skip ,
     adduct-space          .dim_set:N  = \l__chemformula_adduct_space_dim ,
     plus-space            .skip_set:N = \l__chemformula_plus_space_skip ,
+    plus-penalty          .tl_set:N   = \l__chemformula_plus_penalty_tl ,
     math-space            .skip_set:N = \l__chemformula_math_space_skip ,
     name-format           .tl_set:N   = \l__chemformula_name_format_tl ,
     name-width            .code:n     =
@@ -2229,6 +2278,7 @@
     bond-length           .dim_set:N = \l__chemformula_bond_dim ,
     bond-offset           .dim_set:N = \l__chemformula_bond_space_dim ,
     bond-style            .tl_set:N  = \l__chemformula_bond_style_tl ,
+    bond-penalty          .tl_set:N  = \l__chemformula_bond_penalty_tl ,
     font-family           .code:n    =
       \bool_set_true:N \l__chemformula_fss_bool
       \bool_set_false:N \l__chemformula_fontspec_bool
@@ -2371,8 +2421,23 @@ VERSION HISTORY
                           - don't allow a line break between a stoichiometric
                             factor and a compound
                           - changed formal charges to match ``plain'' charges
+2013/07/26 - version 4.0a - added options `arrow-penalty' (0), `plus-penalty'
+                            (700) and `bond-penalty' (10000) that determine if
+                            there may be a break after an arrow, a bond or the
+                            plus
+2013/08/24 - version 4.1  - changed `0' values in TikZ coordinates into `0pt'
+                            see http://tex.stackexchange.com/q/128792/5049 and
+                            http://tex.stackexchange.com/q/118467/5049 for
+                            reference
+                          - new option `tikz-external-disable'
+                          - new option `frac-math-cmd'
+
 
 % --------------------------------------------------------------------------
 % TODO
+- add \tikzexternaldisable and an option to disable it to \ch, \chcpd,
+  \charrow, and \bond
 - Addukte: Zahlen nach * und . automatisch erkennen?
 - optionale Argumente von \\ nach außen weiterreichen?
+- zu `frac-style' die Möglichkeit einbauen, statt \frac, \dfrac oder \tfrac zu
+  verwenden.
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemgreek.sty b/Master/texmf-dist/tex/latex/chemmacros/chemgreek.sty
index dc072de4205..9bb67b76e9f 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemgreek.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemgreek.sty
@@ -26,8 +26,8 @@
 % - The Current Maintainer of this work is Clemens Niederberger.
 % ----------------------------------------------------------------------------
 \RequirePackage{expl3,xparse}
-\def\chemgreek@version{0.1a}
-\def\chemgreek@date{2013/07/06}
+\def\chemgreek@version{0.2}
+\def\chemgreek@date{2013/08/24}
 
 \ProvidesExplPackage{chemgreek}{\chemgreek@date}{\chemgreek@version}
   {interface for upright greek letters for use in chemistry (CN)}
@@ -41,6 +41,13 @@
 \int_new:N \g__chemgreek_tmpa_int
 
 % ----------------------------------------------------------------------------
+% an l3 conditional that can test 2e's conditionals that go like
+%   \iffoo ... \else ... \fi
+% see http://tex.stackexchange.com/a/119806/5049
+\prg_new_conditional:Npnn \chemgreek_latex_if:n #1 {p,T,F,TF}
+  { \use:c { if #1 } \prg_return_true: \else: \prg_return_false: \fi: }
+
+% ----------------------------------------------------------------------------
 % messages
 \msg_new:nnnn { chemgreek } { mapping-not-defined }
   { The~ mapping~ `#1'~ does~ not~ exist~ \msg_line_context: }
@@ -256,6 +263,71 @@
 \cs_new_eq:NN \showchemgreekmapping \chemgreek_show_mapping:n
 
 % ----------------------------------------------------------------------------
+% functions to format integers with greek letters; these are basically copies
+% of \int_to_alph:n
+\cs_new:Npn \chemgreek_int_to_greek:n #1
+  {
+    \int_to_symbols:nnn { #1 } { 24 }
+      {
+        {  1 } { \Chemalpha }
+        {  2 } { \Chembeta }
+        {  3 } { \Chemgamma }
+        {  4 } { \Chemdelta }
+        {  5 } { \Chemepsilon }
+        {  6 } { \Chemzeta }
+        {  7 } { \Chemeta }
+        {  8 } { \Chemiota }
+        {  9 } { \Chemtheta }
+        { 10 } { \Chemkappa }
+        { 11 } { \Chemlambda }
+        { 12 } { \Chemmu }
+        { 13 } { \Chemnu }
+        { 14 } { \Chemxi }
+        { 15 } { \Chemomikron }
+        { 16 } { \Chempi }
+        { 17 } { \Chemrho }
+        { 18 } { \Chemsigma }
+        { 19 } { \Chemtau }
+        { 20 } { \Chemupsilon }
+        { 21 } { \Chemphi }
+        { 22 } { \Chempsi }
+        { 23 } { \Chemchi }
+        { 24 } { \Chemomega }
+      }
+  }
+
+\cs_new:Npn \chemgreek_int_to_Greek:n #1
+  {
+    \int_to_symbols:nnn { #1 } { 24 }
+      {
+        {  1 } { \ChemAlpha }
+        {  2 } { \ChemBeta }
+        {  3 } { \ChemGamma }
+        {  4 } { \ChemDelta }
+        {  5 } { \ChemEpsilon }
+        {  6 } { \ChemZeta }
+        {  7 } { \ChemEta }
+        {  8 } { \ChemIota }
+        {  9 } { \ChemTheta }
+        { 10 } { \ChemKappa }
+        { 11 } { \ChemLambda }
+        { 12 } { \ChemMu }
+        { 13 } { \ChemNu }
+        { 14 } { \ChemXi }
+        { 15 } { \ChemOmikron }
+        { 16 } { \ChemPi }
+        { 17 } { \ChemRho }
+        { 18 } { \ChemSigma }
+        { 19 } { \ChemTau }
+        { 20 } { \ChemUpsilon }
+        { 21 } { \ChemPhi }
+        { 22 } { \ChemPsi }
+        { 23 } { \ChemChi }
+        { 24 } { \ChemOmega }
+      }
+  }
+
+% ----------------------------------------------------------------------------
 % predefine some mappings
 % default:
 \chemgreek_new_mapping:nn { default }
@@ -315,6 +387,35 @@
     \ensuremath{\omega}      / \ensuremath{\Omega}       % 24
   }
 
+% mathdesign:
+\chemgreek_new_mapping:nn { mathdesign }
+  {
+    \ensuremath{\alphaup}      / \ensuremath{\mathrm{A}} , %  1
+    \ensuremath{\betaup}       / \ensuremath{\mathrm{B}} , %  2
+    \ensuremath{\gammaup}      / \ensuremath{\Gammaup} ,   %  3
+    \ensuremath{\deltaup}      / \ensuremath{\Deltaup} ,   %  4
+    \ensuremath{\epsilonup}    / \ensuremath{\mathrm{E}} , %  5
+    \ensuremath{\zetaup}       / \ensuremath{\mathrm{Z}} , %  6
+    \ensuremath{\etaup}        / \ensuremath{\mathrm{H}} , %  7
+    \ensuremath{\thetaup}      / \ensuremath{\Thetaup} ,   %  8
+    \ensuremath{\iotaup}       / \ensuremath{\mathrm{I}} , %  9
+    \ensuremath{\kappaup}      / \ensuremath{\mathrm{K}} , % 10
+    \ensuremath{\lambdaup}     / \ensuremath{\Lambdaup} ,  % 11
+    \ensuremath{\muup}         / \ensuremath{\mathrm{M}} , % 12
+    \ensuremath{\nuup}         / \ensuremath{\mathrm{N}} , % 13
+    \ensuremath{\xiup}         / \ensuremath{\Xiup} ,      % 14
+    \ensuremath{\mathrm{o}}    / \ensuremath{\mathrm{O}} , % 15
+    \ensuremath{\piup}         / \ensuremath{\Piup} ,      % 16
+    \ensuremath{\rhoup}        / \ensuremath{\mathrm{R}} , % 17
+    \ensuremath{\sigmaup}      / \ensuremath{\Sigmaup} ,   % 18
+    \ensuremath{\tauup}        / \ensuremath{\mathrm{T}} , % 19
+    \ensuremath{\upsilonup}    / \ensuremath{\Upsilonup} , % 20
+    \ensuremath{\phiup}        / \ensuremath{\Phiup} ,     % 21
+    \ensuremath{\psiup}        / \ensuremath{\Psiup} ,     % 22
+    \ensuremath{\chiup}        / \ensuremath{\mathrm{X}} , % 23
+    \ensuremath{\omegaup}      / \ensuremath{\Omegaup}     % 24
+  }
+
 % textgreek:
 \chemgreek_new_mapping:nn { textgreek }
   {
@@ -431,6 +532,49 @@
     \ensuremath{\upomega}      / \ensuremath{\upOmega}     % 24
   }
 
+% fourier:
+\cs_new:Npn \__chemgreek_lfourier:n #1
+  {
+    \chemgreek_latex_if:nTF { sloped }
+      { \ensuremath { \use:c { other #1 } } }
+      { \ensuremath { \use:c { #1 } } }
+  }
+
+\cs_new:Npn \__chemgreek_ufourier:n #1
+  {
+    \chemgreek_latex_if:nTF { sloped }
+      { \ensuremath { \use:c { #1 } } }
+      { \ensuremath { \use:c { other #1 } } }
+  }
+
+\chemgreek_new_mapping:nn { fourier }
+  {
+    \__chemgreek_lfourier:n {alpha}   / \ensuremath{\mathrm{A}} , %  1
+    \__chemgreek_lfourier:n {beta}    / \ensuremath{\mathrm{B}} , %  2
+    \__chemgreek_lfourier:n {gamma}   / \__chemgreek_upper_fourier:n {Gamma} ,   %  3
+    \__chemgreek_lfourier:n {delta}   / \__chemgreek_upper_fourier:n {Delta} ,   %  4
+    \__chemgreek_lfourier:n {epsilon} / \ensuremath{\mathrm{E}} , %  5
+    \__chemgreek_lfourier:n {zeta}    / \ensuremath{\mathrm{Z}} , %  6
+    \__chemgreek_lfourier:n {eta}     / \ensuremath{\mathrm{H}} , %  7
+    \__chemgreek_lfourier:n {theta}   / \__chemgreek_upper_fourier:n {Theta} ,   %  8
+    \__chemgreek_lfourier:n {iota}    / \ensuremath{\mathrm{I}} , %  9
+    \__chemgreek_lfourier:n {kappa}   / \ensuremath{\mathrm{K}} , % 10
+    \__chemgreek_lfourier:n {lambda}  / \__chemgreek_upper_fourier:n {Lambda} ,  % 11
+    \__chemgreek_lfourier:n {mu}      / \ensuremath{\mathrm{M}} , % 12
+    \__chemgreek_lfourier:n {nu}      / \ensuremath{\mathrm{N}} , % 13
+    \__chemgreek_lfourier:n {xi}      / \__chemgreek_upper_fourier:n {Xi} ,      % 14
+    \ensuremath {\mathrm{o}}          / \ensuremath{\mathrm{O}} , % 15
+    \__chemgreek_lfourier:n {pi}      / \__chemgreek_upper_fourier:n {Pi} ,      % 16
+    \__chemgreek_lfourier:n {rho}     / \ensuremath{\mathrm{R}} , % 17
+    \__chemgreek_lfourier:n {sigma}   / \__chemgreek_upper_fourier:n {Sigma} ,   % 18
+    \__chemgreek_lfourier:n {tau}     / \ensuremath{\mathrm{T}} , % 19
+    \__chemgreek_lfourier:n {upsilon} / \__chemgreek_upper_fourier:n {Upsilon} , % 20
+    \__chemgreek_lfourier:n {phi}     / \__chemgreek_upper_fourier:n {Phi} ,     % 21
+    \__chemgreek_lfourier:n {psi}     / \__chemgreek_upper_fourier:n {Psi} ,     % 22
+    \__chemgreek_lfourier:n {chi}     / \ensuremath{\mathrm{X}} , % 23
+    \__chemgreek_lfourier:n {omega}   / \__chemgreek_ufourier:n {Omega}     % 24
+  }
+
 % activate default mapping
 \chemgreek_activate_mapping:n { default }
 
@@ -441,3 +585,6 @@ HISTORY:
 2013/07/06 - v0.1a - fixed stupid bug in `upgreek' mapping
                    - added error messages and added \renewchemgreekmapping and
                      \declarechemgreekmapping
+2013/08/24 - v0.2  - new mappings `mathdesign', `fourier'
+                   - new functions: \chemgreek_int_to_greek:n and
+                     \chemgreek_int_to_Greek:n
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index a1c7aa6c46f..26cb76ea4ab 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -26,8 +26,8 @@
 % - The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
 \RequirePackage{ expl3 , xparse , l3keys2e }
-\def\chemmacros@version{4.0}
-\def\chemmacros@date{2013/07/06}
+\def\chemmacros@version{4.1}
+\def\chemmacros@date{2013/08/24}
 
 \ProvidesExplPackage
   {chemmacros}
@@ -1037,20 +1037,24 @@
 \ExplSyntaxOff
 \protected\def\chemmacros@sconf#1%
   {%
+    \begingroup
     \tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex]
       {
         \node(a) {#1} ;
         \draw[->,thick,rotate=90] ($(a.center)+(20:.8em)$) arc (20:340:.8em);
       }%
+    \endgroup
   }
 
 \protected\def\chemmacros@rconf#1%
   {%
+    \begingroup
     \tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex]
       {
         \node(a) {#1} ;
         \draw[<-,thick,rotate=90] ($(a.center)+(20:.8em)$) arc (20:340:.8em) ;
       }%
+    \endgroup
   }
 \ExplSyntaxOn
 
@@ -1074,9 +1078,9 @@
 \DeclareChemIUPAC \L { \textsc { l } }
 
 % ortho/meta/para
-\DeclareChemIUPAC \ortho { \textsl { o } }
-\DeclareChemIUPAC \meta  { \textsl { m } }
-\DeclareChemIUPAC \para  { \textsl { p } }
+\DeclareChemIUPAC \ortho { \textit { o } }
+\DeclareChemIUPAC \meta  { \textit { m } }
+\DeclareChemIUPAC \para  { \textit { p } }
 
 % syn/anti
 \DeclareChemIUPAC \syn  { \textit { syn } }
@@ -1758,8 +1762,10 @@
   {
     \chemformula_latex_if:nTF { measuring@ }
       {
+        \group_begin:
         \tikz[baseline=(#1.base)]
-          { \node [inner~sep=0] (#1) { #2 } ; }
+          { \node [inner~sep=0pt] (#1) { #2 } ; }
+        \group_end:
       }
       {
         \tl_if_blank:nT { #1 }
@@ -1767,7 +1773,7 @@
         \tl_if_blank:nT { #2 }
           { \msg_error:nnx { chemmacros } { OX } { atom~missing } }
         \tikz[baseline=(#1.base),remember~picture]
-          { \node [inner~sep=0] (#1) { #2 } ; }
+          { \node [inner~sep=0pt] (#1) { #2 } ; }
       }
   }
 
@@ -2311,7 +2317,7 @@
       {
         \exp_not:N \chemmacros_translate:nn
           { phase-\l__chemmacros_tmpa_tl }
-          { #2 }
+          { \exp_not:n { #2 } }
       }
   }
 
@@ -2326,7 +2332,7 @@
       {
         \exp_not:N \chemmacros_translate:nn
           { phase-\l__chemmacros_tmpa_tl }
-          { #2 }
+          { \exp_not:n { #2 } }
       }
   }
 
@@ -2594,7 +2600,7 @@
 % the `chemstyle' provides it with \providecommand so it doesn't matter which
 % package defines it first
 \ProvideDocumentCommand \standardstate {}
-  { \ensuremath { \chemmacros_standardstate: } }
+  { { \ensuremath { \chemmacros_standardstate: } } }
 
 \cs_new_protected:Npn \chemmacros_standardstate:
   { \mathpalette \chemmacros_standardstate_aux: \circ }
@@ -2970,14 +2976,14 @@
         scale = \fp_to_tl:N \l__chemmacros_newman_scale_fp ,
         chemmacros_newman_atom_front / .style =
           {
-            inner~sep=0,
-            outer~sep=0,
+            inner~sep=0pt,
+            outer~sep=0pt,
             \tl_use:N \l__chemmacros_newman_tikz_front_tl
           },
         chemmacros_newman_atom_back / .style =
           {
-            inner~sep=0,
-            outer~sep=0,
+            inner~sep=0pt,
+            outer~sep=0pt,
             \bool_if:NTF \l__chemmacros_newman_tikz_back_bool
               { \tl_use:N \l__chemmacros_newman_tikz_back_tl }
               { \tl_use:N \l__chemmacros_newman_tikz_front_tl }
@@ -2986,7 +2992,7 @@
       {
         \chemmacros_tikz_draw:f
           { \tl_use:N \l__chemmacros_newman_tikz_ring_tl }
-          (0,0) circle (\fp_to_dim:N \l__chemmacros_newman_scale_fp * 15) ;
+          (0pt,0pt) circle (\fp_to_dim:N \l__chemmacros_newman_scale_fp * 15) ;
         \chemmacros_newman_back_node:nn
           { 30 }
           { \IfNoValueF { #6 } { #6 } }
@@ -3070,7 +3076,7 @@
       { \l__chemmacros_newman_scale_fp }
     \chemmacros_tikz_draw:f
       { \tl_use:N \l__chemmacros_newman_tikz_ring_tl }
-      (0,0) -- ++
+      (0pt,0pt) -- ++
       (
         30 * \fp_to_dim:N \l__chemmacros_newman_x_fp ,
         30 * \fp_to_dim:N \l__chemmacros_newman_y_fp
@@ -3211,7 +3217,7 @@
       {
         \chemmacros_tikz_shade:f
           { ball~color = \l__chemmacros_orbital_s_phase_color_tl }
-          (0,0) circle (\l__chemmacros_orbital_s_scale_tl * .6em) ;
+          (0pt,0pt) circle (\l__chemmacros_orbital_s_scale_tl * .6em) ;
       }
   }
 
@@ -3278,7 +3284,7 @@
             draw = \l__chemmacros_orbital_p_pphase_color_tl ,
             ball~color = \l__chemmacros_orbital_p_pphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_p_scale_tl * 2em ,
             \l__chemmacros_orbital_p_scale_tl * 2em
@@ -3288,7 +3294,7 @@
             \l__chemmacros_orbital_p_scale_tl * 2em ,
             \l__chemmacros_orbital_p_scale_tl * 2em
           )
-          .. (0,0);
+          .. (0pt,0pt);
         \bool_if:NF \l__chemmacros_orbital_p_half_bool
           {
             \chemmacros_tikz_shadedraw:f
@@ -3296,7 +3302,7 @@
                 draw = \l__chemmacros_orbital_p_mphase_color_tl ,
                 ball~color = \l__chemmacros_orbital_p_mphase_color_tl
               }
-              (0,0) .. controls ++
+              (0pt,0pt) .. controls ++
               (
                 - \l__chemmacros_orbital_p_scale_tl * 2em ,
                 - \l__chemmacros_orbital_p_scale_tl * 2em
@@ -3306,7 +3312,7 @@
                 \l__chemmacros_orbital_p_scale_tl * 2em ,
                 - \l__chemmacros_orbital_p_scale_tl * 2em
               )
-              .. (0,0);
+              .. (0pt,0pt);
           }
       }
   }
@@ -3372,7 +3378,7 @@
             draw = \l__chemmacros_orbital_sp_pphase_color_tl ,
             ball~color = \l__chemmacros_orbital_sp_pphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_sp_scale_tl * 2em ,
             \l__chemmacros_orbital_sp_scale_tl * 2em
@@ -3382,13 +3388,13 @@
             \l__chemmacros_orbital_sp_scale_tl * 2em ,
             \l__chemmacros_orbital_sp_scale_tl * 2em
           )
-          .. (0,0);
+          .. (0pt,0pt);
         \chemmacros_tikz_shadedraw:f
           {
             draw = \l__chemmacros_orbital_sp_mphase_color_tl ,
             ball~color = \l__chemmacros_orbital_sp_mphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_sp_scale_tl * .6em ,
             - \l__chemmacros_orbital_sp_scale_tl * .6em
@@ -3398,7 +3404,7 @@
             \l__chemmacros_orbital_sp_scale_tl * .6em ,
             - \l__chemmacros_orbital_sp_scale_tl * .6em
           )
-          .. (0,0);
+          .. (0pt,0pt);
       }
   }
 
@@ -3463,7 +3469,7 @@
             draw = \l__chemmacros_orbital_sptwo_pphase_color_tl ,
             ball~color = \l__chemmacros_orbital_sptwo_pphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_sptwo_scale_tl * 2em ,
             \l__chemmacros_orbital_sptwo_scale_tl * 2em
@@ -3473,13 +3479,13 @@
             \l__chemmacros_orbital_sptwo_scale_tl * 2em ,
             \l__chemmacros_orbital_sptwo_scale_tl * 2em
           )
-          .. (0,0);
+          .. (0pt,0pt);
         \chemmacros_tikz_shadedraw:f
           {
             draw = \l__chemmacros_orbital_sptwo_mphase_color_tl ,
             ball~color = \l__chemmacros_orbital_sptwo_mphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_sptwo_scale_tl * .8em ,
             - \l__chemmacros_orbital_sptwo_scale_tl * .8em
@@ -3489,7 +3495,7 @@
             \l__chemmacros_orbital_sptwo_scale_tl * .8em ,
             - \l__chemmacros_orbital_sptwo_scale_tl * .8em
           )
-          .. (0,0);
+          .. (0pt,0pt);
       }
   }
 
@@ -3554,7 +3560,7 @@
             draw = \l__chemmacros_orbital_spthree_pphase_color_tl ,
             ball~color = \l__chemmacros_orbital_spthree_pphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_spthree_scale_tl * 2em ,
             \l__chemmacros_orbital_spthree_scale_tl * 2em
@@ -3564,13 +3570,13 @@
             \l__chemmacros_orbital_spthree_scale_tl * 2em ,
             \l__chemmacros_orbital_spthree_scale_tl * 2em
           )
-          .. (0,0);
+          .. (0pt,0pt);
         \chemmacros_tikz_shadedraw:f
           {
             draw = \l__chemmacros_orbital_spthree_mphase_color_tl ,
             ball~color = \l__chemmacros_orbital_spthree_mphase_color_tl
           }
-          (0,0) .. controls ++
+          (0pt,0pt) .. controls ++
           (
             - \l__chemmacros_orbital_spthree_scale_tl * 1em ,
             - \l__chemmacros_orbital_spthree_scale_tl * 1em
@@ -3580,7 +3586,7 @@
             \l__chemmacros_orbital_spthree_scale_tl * 1em ,
             - \l__chemmacros_orbital_spthree_scale_tl * 1em
           )
-          .. (0,0);
+          .. (0pt,0pt);
       }
   }
 
@@ -4006,9 +4012,17 @@ Version history
                             used together with `hyperref'
                           - new option `reaction/list-heading'
                           - option `charges/append' deprecated
-
+2013/08/07 - version 4.0a - extra pair of braces in definition of
+                            \standardstate
+                          - added missing \exp_not:n to the definitions of
+                            \chemmacros_declare_phase:Nn and kin
+2013/08/24 - version 4.1  - changed `0' values in TikZ coordinates into `0pt'
+                            see http://tex.stackexchange.com/q/128792/5049 and
+                            http://tex.stackexchange.com/q/118467/5049 for
+                            reference
 
 % --------------------------------------------------------------------------- %
-% TODO: fuer version 4
+% TODO:
 - add d-orbitals
 - make electron movement arrow tips (`el', `left el' and `right el') public
+
diff --git a/Master/texmf-dist/tex/latex/chemmacros/language/ghsystem_english.def b/Master/texmf-dist/tex/latex/chemmacros/language/ghsystem_english.def
index 4dc71bee897..85bf82778af 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/language/ghsystem_english.def
+++ b/Master/texmf-dist/tex/latex/chemmacros/language/ghsystem_english.def
@@ -241,7 +241,7 @@
   {
     May~ cause~ damage
     \bool_if:NF \l__ghsystem_organs_bool { ~to~ organs }
-    \ghsystem_organs:\c_space_rl
+    \ghsystem_organs:\c_space_tl
     through~ prolonged~ or~ repeated~ exposure.
     \ghsystem_exposure:
   }