chemmacros (14mar12)

git-svn-id: svn://tug.org/texlive/trunk@25645 c570f23f-e606-0410-a88d-b1316a301751

7 files changed, 201 insertions, 32 deletions

diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README
index 9c311693bfa..bf63c5b3013 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/README
+++ b/Master/texmf-dist/doc/latex/chemmacros/README
@@ -1,10 +1,10 @@
 --------------------------------------------------------------------------
-the CHEMMACROS bundle v3.1b
+the CHEMMACROS bundle v3.1c
 -> chemmacros package  -> macros and commands for chemists
 -> chemformula package -> typeset chemical compounds and reactions
 -> ghsystem package    -> typeset H & P statements and pictograms
                           from the globally harmonised system (GHS)
-2012/03/03
+2012/03/14
 --------------------------------------------------------------------------
 This bundle succeeds the chemmacros package which is now part of the
 bundle
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex b/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex
new file mode 100644
index 00000000000..7811ab97c31
--- /dev/null
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex
@@ -0,0 +1,132 @@
+\documentclass[parskip=full]{scrartcl}
+
+\usepackage{chemmacros}
+\newcommand*\cmd[2]{}
+\begin{document}
+
+% {\chemsetup[chemformula]{charge-hshift=0pt}
+% \ch{NO2^*} X\\
+% \ch{NO^*} X\\
+% \ch{H2O} X\\
+% \ch{^4S_{3/2}^-} X\\
+% \ch{C5H11-} X\\
+% \ch{^1H} X\\
+% \ch{^{12}1H} X
+% }
+% % \end{document}
+% 
+% \ch{NO2^*} X\\
+% \ch{H2O} X\\
+% \ch{^4S_{3/2}^-} X\\
+% \ch{C5H11-} X\\
+% \ch{^1H} X\\
+% \ch{^{12}1H} X
+
+Isotop:\\
+\verb|\ch{^3B}| \ch{^3B +}\\
+\verb|\ch{3B}| \ch{3B +}\\
+\verb|\ch{_3B}| \ch{_3B +}\\
+\verb|\ch{3^3B}| \ch{3^3B +}\\
+\verb|\ch{_3^3B}| \ch{_3^3B +}\\
+\verb|\ch{^33B}| \ch{^33B +}\\
+\verb|\ch{^{23}123B}| \ch{^{23}123B +}\\
+\verb|\ch{^{23}_{123}B}| \ch{^{23}_{123}B +}\\
+\verb|\ch{^{123}23B}| \ch{^{123}23B +}\\
+\verb|\ch{^{123}_{23}B}| \ch{^{123}_{23}B +}\\
+\verb|\ch{123^{23}B}| \ch{123^{23}B +}\\
+\verb|\ch{_{123}^{23}B}| \ch{_{123}^{23}B +}\\
+\verb|\ch{23^{123}B}| \ch{23^{123}B +}\\
+\verb|\ch{_{23}^{123}B}| \ch{_{23}^{123}B +}
+
+Formel:\\
+\verb|\ch{B3}| \ch{B3 +}\\
+\verb|\ch{B23}| \ch{B23 +}\\
+\verb|\ch{B123}| \ch{B123 +}\\
+\verb|\ch{B^3}| \ch{B^3 +}\\
+\verb|\ch{B^{23}}| \ch{B^{23} +}\\
+\verb|\ch{B^{123}}| \ch{B^{123} +}\\
+\verb|\ch{B3^3}| \ch{B3^3 +}\\
+\verb|\ch{B^33}| \ch{B^33 +}\\
+\verb|\ch{B123^{23}}| \ch{B123^{23} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{123}^{23} +}\\
+\verb|\ch{B^{23}123}| \ch{B^{23}123 +}\\
+\verb|\ch{B^{23}_{123}}| \ch{B^{23}_{123} +}\\
+\verb|\ch{B123^{23}}| \ch{B23^{123} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{23}^{123} +}\\
+\verb|\ch{B^{123}23}| \ch{B^{123}23 +}\\
+\verb|\ch{B^{123}_{23}}| \ch{B^{123}_{23} +} \\
+\verb|\ch{H2O}| \ch{H2O} \\
+\verb|\ch{H2SO4}| \ch{H2SO4} \\
+\verb|\ch{Na+}| \ch{Na+} \\
+\verb|\ch{NH4+}| \ch{NH4+} \\
+\verb|\ch{SO4^2-}| \ch{SO4^2-}
+
+full shift:\chemsetup[chemformula]{charge-hshift=full}\\
+\verb|\ch{B3}| \ch{B3 +}\\
+\verb|\ch{B23}| \ch{B23 +}\\
+\verb|\ch{B123}| \ch{B123 +}\\
+\verb|\ch{B^3}| \ch{B^3 +}\\
+\verb|\ch{B^{23}}| \ch{B^{23} +}\\
+\verb|\ch{B^{123}}| \ch{B^{123} +}\\
+\verb|\ch{B3^3}| \ch{B3^3 +}\\
+\verb|\ch{B^33}| \ch{B^33 +}\\
+\verb|\ch{B123^{23}}| \ch{B123^{23} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{123}^{23} +}\\
+\verb|\ch{B^{23}123}| \ch{B^{23}123 +}\\
+\verb|\ch{B^{23}_{123}}| \ch{B^{23}_{123} +}\\
+\verb|\ch{B123^{23}}| \ch{B23^{123} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{23}^{123} +}\\
+\verb|\ch{B^{123}23}| \ch{B^{123}23 +}\\
+\verb|\ch{B^{123}_{23}}| \ch{B^{123}_{23} +} \\
+\verb|\ch{H2O}| \ch{H2O} \\
+\verb|\ch{H2SO4}| \ch{H2SO4} \\
+\verb|\ch{Na+}| \ch{Na+} \\
+\verb|\ch{NH4+}| \ch{NH4+} \\
+\verb|\ch{SO4^2-}| \ch{SO4^2-}
+
+no shift:\chemsetup[chemformula]{charge-hshift=0pt}\\
+\verb|\ch{B3}| \ch{B3 +}\\
+\verb|\ch{B23}| \ch{B23 +}\\
+\verb|\ch{B123}| \ch{B123 +}\\
+\verb|\ch{B^3}| \ch{B^3 +}\\
+\verb|\ch{B^{23}}| \ch{B^{23} +}\\
+\verb|\ch{B^{123}}| \ch{B^{123} +}\\
+\verb|\ch{B3^3}| \ch{B3^3 +}\\
+\verb|\ch{B^33}| \ch{B^33 +}\\
+\verb|\ch{B123^{23}}| \ch{B123^{23} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{123}^{23} +}\\
+\verb|\ch{B^{23}123}| \ch{B^{23}123 +}\\
+\verb|\ch{B^{23}_{123}}| \ch{B^{23}_{123} +}\\
+\verb|\ch{B123^{23}}| \ch{B23^{123} +}\\
+\verb|\ch{B_{123}^{23}}| \ch{B_{23}^{123} +}\\
+\verb|\ch{B^{123}23}| \ch{B^{123}23 +}\\
+\verb|\ch{B^{123}_{23}}| \ch{B^{123}_{23} +} \\
+\verb|\ch{H2O}| \ch{H2O} \\
+\verb|\ch{H2SO4}| \ch{H2SO4} \\
+\verb|\ch{Na+}| \ch{Na+} \\
+\verb|\ch{NH4+}| \ch{NH4+} \\
+\verb|\ch{SO4^2-}| \ch{SO4^2-}
+
+ \ch{A^{x-}} \\
+ \ch{A^x-} \\
+ \ch{A^{x}-} \\
+ \ch{A^{$x-$}} \\
+ \ch{RNO2^{-.}} \\
+ \ch{^31H} \\
+ \ch{^{14}6C} \\
+ \ch{^{58}_{26}Fe} \\
+ \ch{NO^*} \\
+ \ch{SO4^2-} \ch{Ca^2+ SO4^2-}
+
+\chemsetup[option]{circled=all}
+ \ch{H+ + OH- <=> H2O}
+
+\chemsetup{option/circled=formal,chemformula/charge-hshift=.5ex}
+\ch{H^2} \ch[charge-vshift=.2ex]{H^2} H$^2$
+
+\[ \ch{SO4^2-} K = \frac{[\ch{Na+}]^2[\ch{SO4^2-}]}{[\ch{Na2SO4}]} \]
+
+\( K = \frac{\bigl[\ch{Na+}\bigr]^2\bigl[\ch{SO4^2-}\bigr]}{\bigl[\ch{Na2SO4}\bigr]} \)
+
+$ A^{\ch{SO4^2-}}$
+\end{document}
\ No newline at end of file
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros-codehelper.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros-codehelper.tex
index b55a80f5659..5c9ecaf919b 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros-codehelper.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros-codehelper.tex
@@ -5,7 +5,7 @@
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2012/03/03                                                              - %
+% - 2012/03/12                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -100,6 +100,7 @@
           b,
           ba,
           bottomrule,
+          cancel,
           cd,
           cdot,
           ce,
@@ -387,6 +388,7 @@
           b,
           ba,
           bottomrule,
+          cancel,
           cd,
           cdot,
           ce,
@@ -576,17 +578,27 @@
     \endquote
   }
 
-\NewDocumentCommand \paket { sm }
+\makeatletter
+\NewDocumentCommand \paket { som }
   {
-    \textsf { #2 }
-    \cs_if_exist:cF { paket @ #2 }
+    \textsf { #3 }
+    \cs_if_exist:cF { paket @ #3 }
       {
-        \cs_new_nopar:cpn { paket @ #2 } { }
+        \cs_new_nopar:cpn { paket @ #3 } { }
         \IfBooleanF { #1 }
-          { \footnote { CTAN: ~ \href { http://www.ctan.org/pkg/#2/ } { #2 } } }
+          {
+            \footnote
+              {
+                CTAN: ~
+                \IfNoValueTF { #2 }
+                  { \hyper@linkurl { #3 } { http://www.ctan.org/pkg/#3/} }
+                  { \hyper@linkurl { #3 } { http://www.ctan.org/pkg/#2/} }
+              }
+          }
       }
-    \index { #2 @ \textsf { #2 } }
+    \index { #3 @ \textsf { #3 } }
   }
+\makeatother
 
 % #1: module #2: key #3: value
 \NewDocumentCommand \key { somg }
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.pdf
index b58d5e1337f..97531961b36 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.tex
index f5e3052eb48..2e32e0cf1b4 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_de.tex
@@ -5,7 +5,7 @@
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2012/03/03                                                              - %
+% - 2012/03/14                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -35,12 +35,12 @@
 % > makeindex -sl index_de.ist chemmacros_doc_de.idx
 % > xelatex chemmacros_doc_de
 %
-\documentclass[DIV11,idx=totoc,toc=bib]{scrartcl}
+\documentclass[DIV11,toc=index,toc=bib]{scrartcl}
 \usepackage{fontspec,xltxtra}
 \usepackage{polyglossia}
   \setmainlanguage{german}
 \usepackage[normalem]{ulem}
-\usepackage{chemfig,chemstyle,upgreek,multicol,makeidx,booktabs,csquotes}
+\usepackage{chemfig,chemstyle,upgreek,textgreek,multicol,makeidx,booktabs,csquotes,cancel}
 \usepackage[german]{chemmacros}
 \usepackage[version=3]{mhchem}
 \usepackage[para]{footmisc}
@@ -103,6 +103,7 @@
               bookmarksopen      = true,
               bookmarksopenlevel = 1,
               bookmarksnumbered  = true,
+              bookmarksdepth     = paragraph,
               pdfauthor          = {Clemens Niederberger},
               pdftitle           = {chemmacros bundle - deutsche Dokumentation},
               pdfsubject         = {macros and commands for chemists},
@@ -226,6 +227,7 @@ Sowohl \chemformula als auch \ghsystem haben keine eigenen Paketoptionen. Wenn S
  \item \key[option]{bpchem}{\uline{true}/false} Diese Option lädt \paket{bpchem} und passt das Layout von \cmd{NMR} den \paket{bpchem}-Befehlen \lstinline+\HNMR+ und \lstinline+\CNMR+ an. Default = \texttt{false}
  \item \key[option]{circled}{\uline{formal}/all/none} \chemmacros unterscheidet zwischen zwei Typen von Ladungen\footnote{Vielen Dank an Christoph Schäfer, der mich darauf aufmerksam machte, dass v1.1 die Ladungen zu nachlässig behandelte!}: reale ($+/-$) und formale (\fplus/\fminus) Ladungen. Die Option \texttt{formal} unterscheidet zwischen ihnen, \texttt{none} stellt alle ohne Umkreisung dar, \texttt{all} umkreist alle. Default = \texttt{formal}
  \item \key[option]{circletype}{\uline{chem}/math} Diese Option schaltet zwischen zwei Darstellungsmöglichkeiten für formale Ladungen hin und her: \cmd{fplus} \fplus\ und \lstinline+$\oplus$+ $\oplus$. Default = \texttt{chem}
+  \item \key[option]{cmversion}{1/2/bundle} Diese Option stellt die Definition einiger Befehle wieder her, so dass Dokumente, die mit v1.* gesetzt wurden, Korrekt kompilieren. Default = \texttt{bundle}. Eigentlich sind \texttt{2} und \texttt{bundle} Aliase. Diese Option kann nur in der Präambel gesetzt werden. Notiz: Das ist nur die umbenannte ehemalige Option \key{version}.
  \item \key[option]{detect-bold}{\uline{true}/false} \emph{Diese Option ist veraltet und wird nicht mehr unterstützt!} 
  \item \key[option]{EZ}{\uline{chemmacros}/cool} \emph{Diese Option ist veraltet und wird nicht mehr unterstützt!}
  \item \key[option]{german}{\uline{true}/false} Diese Option ändert die Befehle \cmd{pKa}, \cmd{sld} und \cmd{lqd}. Default = \texttt{false}. Diese Option hat den Alias \key[option]{ngerman}.
@@ -236,7 +238,7 @@ Sowohl \chemformula als auch \ghsystem haben keine eigenen Paketoptionen. Wenn S
   \item \key[option]{strict}{\uline{true}/false} Die Einstellung \key{strict}{true} wird alle Warnungen in Fehlermeldungen ändern. Default = \texttt{false}
  \item \key[option]{synchronize}{\uline{true}/false} Mit der Einstellung \texttt{true} wird \chemmacros die Schrifteinstellungen von \chemformula übernehmen, falls \chemformula als Methode gewählt wurde. Default = \texttt{false}. Um diese Option zu demonstrieren, wurde dieses Dokument mit \key{synchronize}{true} und der \chemformula Einstellung \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+ gesetzt.
  \item \key[option]{upgreek}{none/textgreek/\uline{upgreek}} Diese Option bestimmt, wie die Buchstaben \ch{Chemalpha} und seine Verwandten dargestellt werden. Siehe Seite \pageref{key:upgreek} für weitere Informationen. Diese Option kann nur in der Präambel gesetzt werden. Default = \texttt{upgreek}
- \item \key[option]{version}{1/2/bundle} Diese Option stellt die Definition einiger Befehle wieder her, so dass Dokumente, die mit v1.* gesetzt wurden, Korrekt kompilieren. Default = \texttt{bundle}. Eigentlich sind \texttt{2} und \texttt{bundle} Aliase. Diese Option kann nur in der Präambel gesetzt werden.
+ \item \key[option]{version} Diese Option macht gar nichts und existiert nur wegen Kompatibilität für ältere Dokumente. Die Funktionalität wird nun durch die Option \key{cmversion} bereitgestellt. Die Umbenennung war nötig damit \chemmacros auch mit \paket[koma-script]{KOMA-Script} und dessen Option \texttt{version} funktioniert.
  \item \key[option]{xspace}{\uline{true}/false} Mit dieser Option werden die meisten Makros mit einem \lstinline+\xspace+ definiert. Default = \texttt{true}
 \end{description}
 \secidx*{Paketoptionen}
@@ -642,12 +644,12 @@ Die Verwenden von \key[ox]{explicit-sign} wird immer das Vorzeichen der Oxidatio
 \end{beispiel}
 
 \begin{beispiel}
- Vergleichen Sie \ox{-1,\ch{O2^2-}} mit \ch{"\ox{-1,O}" 2^2-}
+ Vergleichen Sie \ox{-1,\ch{O2^2-}} mit \ch{"\ox{-1,O}" {}2^2-}
 \end{beispiel}
 
 Manchmal muss man formale Oxidationszahlen wie \num{.5} oder $\frac{1}{3}$ verwenden:
 \begin{beispiel}
- \ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" 3+}
+ \ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" {}3+}
 \end{beispiel}
 
 Der Bruch verwendet den \lstinline+\sfrac+-Befehl des \paket{xfrac}-Pakets. Zu diesem Zweck wurde die Instanz \lstinline+chemmacros-ox-frac+ definiert.
@@ -1285,7 +1287,7 @@ Manche Optionen können ohne Wert verwendet werden. Dann wird der \uline{unterst
  bpchem              & option   & \uline{true}/false       & false                 & Seite \pageref{key:option_bpchem} \\
  circled             & option   & formal/\uline{all}/none  & formal                & Seite \pageref{key:option_circled} \\
  circletype          & option   & chem/math                & chem                  & Seite \pageref{key:option_circletype} \\
-%  detect-bold         & option   & \uline{true}/false       & false                 & Seite \pageref{key:option_detect-bold} \\
+ cmversion           & option   & 1/2/bundle               & bundle                & Seite \pageref{key:option_version} \\
  german              & option   & \uline{true}/false       & false                 & Seite \pageref{key:option_german} \\
  ghs                 & option   & \uline{true}/false       & true                  & Seite \pageref{key:option_ghs} \\
  iupac               & option   & auto/restricted/strict   & auto                  & Seite \pageref{key:option_iupac} \\
@@ -1294,7 +1296,7 @@ Manche Optionen können ohne Wert verwendet werden. Dann wird der \uline{unterst
  strict              & option   & \uline{true}/false       & false                 & Seite \pageref{key:option_strict} \\
  synchronize         & option   & \uline{true}/false       & false                 & Seite \pageref{key:option_synchronize} \\
  upgreek             & option   & none/textgreek/\uline{upgreek} & upgreek         & Seite \pageref{key:option_upgreek} \\
- version             & option   & 1/2/bundle               & bundle                & Seite \pageref{key:option_version} \\
+ version             & option   &                          &                       & Seite \pageref{key:option_version} \\
  xspace              & option   & \uline{true}/false       & true                  & Seite \pageref{key:option_xspace} \\
  \multicolumn{5}{l}{\cmd{ba}, \cmd{Nu}:} \\
  elpair              & particle & \uline{dots}/dash/false  & false                 & Seite \pageref{key:particle_elpair} \\
@@ -1837,11 +1839,7 @@ Es gibt einige vordefinierte Koordinaten, die Sie verwenden können und sollten:
 \begin{beispiel}
  \DeclareChemArrow{.>}{\draw[-cf,dotted,red] (cf_arrow_start) -- (cf_arrow_end);}
  \DeclareChemArrow{n>}{\draw[-cf] (cf_arrow_start) .. controls ([yshift=3ex]cf_arrow_mid) .. (cf_arrow_end);}
- \DeclareChemArrow{==}{
-  \draw ([yshift=.2ex]cf_arrow_mid_start) -- ([yshift=.2ex]cf_arrow_mid_end);
-  \draw ([yshift=-.2ex]cf_arrow_mid_start) -- ([yshift=-.2ex]cf_arrow_mid_end);
- }
- \ch{A .> B} \ch{A .>[a][b] B} \ch{A n> B} \ch{A == B}
+ \ch{A .> B} \ch{A .>[a][b] B} \ch{A n> B}
 \end{beispiel}
 Wenn Sie einen existierenden Pfeil umdefinieren möchten, können Sie folgende zwei Befehle verwenden:
 \begin{description}
@@ -2013,6 +2011,18 @@ Dieser Abschnitt zeigt weitere Beispiele für die Verwendung von \chemformula, a
   H3C-CH2 "\Lewis{0.,\vphantom{H}}" + Cl2 &-> H3CCH2Cl + "\Lewis{0.,Cl}"             & &"\Enthalpy{-23.0}"
  \end{reactions*}
 \end{beispiel}
+
+Das folgende Beispiel zeigt, wie das kürzen von Formeln erreicht werden kann\footnote{Inspiriert durch eine Frage auf TeX.SE: \url{http://tex.stackexchange.com/q/30118/5049}}.
+\begin{beispiel}
+ % needs `cancel'
+ \begin{align*}
+  \centering
+  \ch{\cancel{HCOOH\aq} + H2O\lqd{}  &<=> H3O^+\aq{} + \cancel{HCOO^-\aq}} \\
+  \ch{\cancel{HCOO^-\aq} + H2O\lqd{} &<=> \cancel{HCOOH\aq} + OH^-\aq}\\[-1ex]
+  \cline{1-2}
+  \ch{H2O\lqd{} + H2O\lqd{} &<=> H3O^+\aq{} + OH^-\aq}    
+ \end{align*}
+\end{beispiel}
 \secidx*{CHEMFORMULA}
 
 \part{\texorpdfstring{\Ghsystem}{ghsystem}}\secidx{GHSYSTEM}
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.pdf
index c0cbfaa9826..3b11acc09a2 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_doc_en.pdf
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 56a2303fb32..09d57866e1a 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                                                    - %
-% - 2012/03/03                                                              - %
+% - 2012/03/14                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -40,7 +40,7 @@
 \usepackage{polyglossia}
   \setmainlanguage{english}
 \usepackage[normalem]{ulem}
-\usepackage{chemfig,chemstyle,upgreek,textgreek,multicol,makeidx,booktabs,csquotes}
+\usepackage{chemfig,chemstyle,upgreek,textgreek,multicol,makeidx,booktabs,csquotes,cancel}
 \usepackage{chemmacros}
 \usepackage[version=3]{mhchem}
 \usepackage[para]{footmisc}
@@ -72,7 +72,7 @@
 \addbibresource{\jobname.bib}
 \begin{filecontents}{\jobname.bib}
 @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 Franco Pavese and Martin Quack and Jürgan Stohner and Herbert L. Strauss and Michio Takami and Anders J Thor},
+  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 Franco Pavese and Martin Quack and Jürgan Stohner and Herbert L. Strauss and Michio Takami and Anders J Thor},
   title     = {“Quantities, Symbols and Units in Physical Chemistry”, \IUPAC Green Book},
   edition   = {3rd Edition. 2nd Printing},
   year      = {2008},
@@ -103,6 +103,7 @@
               bookmarksopen      = true,
               bookmarksopenlevel = 1,
               bookmarksnumbered  = true,
+              bookmarksdepth     = paragraph,
               pdfauthor          = {Clemens Niederberger},
               pdftitle           = {chemmacros bundle - English documentation},
               pdfsubject         = {macros and commands for chemists},
@@ -224,6 +225,7 @@ Both \chemformula and \ghsystem don't have package options of their own. If you
  \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]{cmversion}{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. Note: this is a new name for the now deprecated option \key{version}.
  \item \key[option]{detect-bold}{\uline{true}/false} \emph{This option is deprecated!}
  \item \key[option]{EZ}{\uline{chemmacros}/cool} \emph{This option is deprecated!}
  \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}.
@@ -234,7 +236,7 @@ Both \chemformula and \ghsystem don't have package options of their own. If you
  \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]{upgreek}{none/textgreek/\uline{upgreek}} This Options determines how the letters \ch{Chemalpha} and friends are typeset. See page \pageref{key:upgreek} for more information. This option can only be chosen in the preamble. (default = \texttt{upgreek})
- \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]{version} This option does nothing and only exists for backwards compatibility. The functionality is now provided by the option \key{cmversion}. The option has been renamed so \chemmacros is compatible with the global option \texttt{version} of \paket[koma-script]{KOMA-script}.
  \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}
@@ -345,7 +347,7 @@ Depending on the \key{method} you chose as option the \texttt{<definition>} will
 
 \section{Nomenclature, Stereo Descriptors, 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 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.
+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}
@@ -539,7 +541,7 @@ Easy representation of \pH, \pKa \ldots (the command \cmd{pKa} depends on the pa
 
 \achtung{The default appearance of the \p{}-commands has changed to follow \IUPAC recommendations.}
 \begin{myquote}[\IUPAC Green Book \cite[][p.\,103]{iupac:greenbook}]
- The operator \p{} […] shall be printed in Roman type.
+ The operator \p{} […] shall be printed in Roman type.
 \end{myquote}
 
 There is one option which changes the style the \p{} is typeset:
@@ -640,12 +642,12 @@ Using the \key[ox]{explicit-sign} key will always show the sign of the oxidation
 \end{beispiel}
 
 \begin{beispiel}
- Compare \ox{-1,\ch{O2^2-}} to \ch{"\ox{-1,O}" 2^2-}
+ Compare \ox{-1,\ch{O2^2-}} to \ch{"\ox{-1,O}" {}2^2-}
 \end{beispiel}
 
 Sometimes one might want to use formal oxidation numbers like \num{.5} or $\frac{1}{3}$:
 \begin{beispiel}
- \ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" 3+}
+ \ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" {}3+}
 \end{beispiel}
 
 The fraction uses the \lstinline+\sfrac+ command of the \paket{xfrac} package. For this purpose the instance \lstinline+chemmacros-ox-frac+ is defined.
@@ -1273,6 +1275,7 @@ Some keys can be set without value. Then the \uline{underlined} value is used.
  bpchem              & option   & \uline{true}/false       & false                 & page \pageref{key:option_bpchem} \\
  circled             & option   & formal/\uline{all}/none  & formal                & page \pageref{key:option_circled} \\
  circletype          & option   & chem/math                & chem                  & page \pageref{key:option_circletype} \\
+ version             & option   & 1/2/bundle               & bundle                & page \pageref{key:option_version} \\
  german              & option   & \uline{true}/false       & false                 & page \pageref{key:option_german} \\
  ghs                 & option   & \uline{true}/false       & true                  & page \pageref{key:option_ghs} \\
  iupac               & option   & auto/restricted/strict   & auto                  & page \pageref{key:option_iupac} \\
@@ -1281,7 +1284,7 @@ Some keys can be set without value. Then the \uline{underlined} value is used.
  strict              & option   & \uline{true}/false       & false                 & page \pageref{key:option_strict} \\
  synchronize         & option   & \uline{true}/false       & false                 & page \pageref{key:option_synchronize} \\
  upgreek             & option   & none/textgreek/\uline{upgreek} & upgreek         & page \pageref{key:option_upgreek} \\
- version             & option   & 1/2/bundle               & bundle                & page \pageref{key:option_version} \\
+ version             & option   &                          &                       & page \pageref{key:option_version} \\
  xspace              & option   & \uline{true}/false       & true                  & page \pageref{key:option_xspace} \\
  \multicolumn{5}{l}{\cmd{ba}, \cmd{Nu}:} \\
  elpair              & particle & \uline{dots}/dash/false  & false                 & page \pageref{key:particle_elpair} \\
@@ -1939,7 +1942,7 @@ The \cmd{ch} command can be used inside math equations. It recognizes \lstinline
 \secidx*{Math Environments}
 
 \section{Further Examples}
-This section just presents some examples of a possible usage.
+This section presents some examples of a possible usage.
 
 \begin{beispiel}
  \begin{reaction}[Synthese von Alkanen]
@@ -1977,6 +1980,18 @@ This section just presents some examples of a possible usage.
   H3C-CH2 "\Lewis{0.,\vphantom{H}}" + Cl2 &-> H3CCH2Cl + "\Lewis{0.,Cl}"             & &"\Enthalpy{-23.0}"
  \end{reactions*}
 \end{beispiel}
+
+The following example shows how the cancelling of compounds could be done\footnote{Inspired by a question on TeX.SE: \url{http://tex.stackexchange.com/q/30118/5049}}.
+\begin{beispiel}
+ % needs `cancel'
+ \begin{align*}
+  \centering
+  \ch{\cancel{HCOOH\aq} + H2O\lqd{}  &<=> H3O^+\aq{} + \cancel{HCOO^-\aq}} \\
+  \ch{\cancel{HCOO^-\aq} + H2O\lqd{} &<=> \cancel{HCOOH\aq} + OH^-\aq}\\[-1ex]
+  \cline{1-2}
+  \ch{H2O\lqd{} + H2O\lqd{} &<=> H3O^+\aq{} + OH^-\aq}    
+ \end{align*}
+\end{beispiel}
 \secidx*{CHEMFORMULA}
 
 \part{\texorpdfstring{\Ghsystem}{ghsystem}}\secidx{GHSYSTEM}