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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% ------------------------------------------------------------------------------------- %
% - myChemistry - mychemistry.sty ----------------------------------------------------- %
% - Creating reaction schemes with LaTeX and ChemFig ---------------------------------- %
% ------------------------------------------------------------------------------------- %
% - Clemens Niederberger -------------------------------------------------------------- %
% - 2011/03/01 ------------------------------------------------------------------------ %
% ------------------------------------------------------------------------------------- %
% - http://www.niederberger-berlin.net/2011/02/latex-mychemistry/ --------------------- %
% - kontakt@niederberger-berlin.net --------------------------------------------------- %
% ------------------------------------------------------------------------------------- %
% - If you have any ideas, questions, suggestions or bugs to report, please feel free - %
% - to contact me. -------------------------------------------------------------------- %
% ------------------------------------------------------------------------------------- %
% - Licence CC BY-NC-SA 3.0 ----------------------------------------------------------- %
% -   http://creativecommons.org/licenses/by-nc-sa/3.0/                               - %
% - You are free:                                                                     - %
% -   to Share: to copy, distribute and transmit the work                             - %
% -   to Remix: to adapt the work                                                     - %
% - Under the following conditions:                                                   - %
% -   Attribution: You must attribute the work in the manner specified by the author  - %
% -     or licensor (but not in any way that suggests that they endorse you or your   - %
% -     use of the work).                                                             - %
% -   Noncommercial: You may not use this work for commercial purposes.               - %
% -   Share Alike: If you alter, transform, or build upon this work, you may          - %
% -     distribute the resulting work only under the same or similar license to       - %
% -     this one.                                                                     - %
% -                                                                                   - %
% - This work consists of the files mychemistry.sty, mychemistry_de.tex and           - %
% - mychemistry_en.tex                                                                - %
% ------------------------------------------------------------------------------------- %
% - 02/24/2011 version 1.0                                                            - %
% ------------------------------------------------------------------------------------- %
% - 03/01/2011 version 1.1                                                            - %
% -   package option `english' added                                                  - %
% -   package key `placement' added                                                   - %
% -   rxnscheme key `placement' added                                                 - %
% -   package key `shade=boolean' changed into package option `shade'                 - %
% -   package option `nochemexec' added                                               - %
% ------------------------------------------------------------------------------------- %
% - TODO                                                                              - %
% -   correct branch alignment                                                        - %
% -   correct arrow argument behaviour                                                - %
% -   make the arrow type {-|>} look nicer                                            - %
% ------------------------------------------------------------------------------------- %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\def\@mc@version{v1.1}
\def\@mc@date@de{01. M\"arz 2011}
\def\@mc@date@en{March 01. 2011}
\ProvidesPackage{mychemistry}[2011/03/01]
\typeout{myChemistry \@mc@version}
\typeout{2011/03/01 Clemens Niederberger}
\typeout{}
\RequirePackage{ifthen,calc,float}
\RequirePackage{xkeyval}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Optionen, auch an chemexec weitergeben
\newcommand{\@mc@exec@color}{black}
\newcommand{\@mc@exec@shade}{false}
\newif\if@usecolor\@usecolorfalse
% wenn key color, dann Farbe weitergeben und Option shade=true
\define@key[MC]{mychemistry.sty}%
  {color}{
    \@usecolortrue
    \renewcommand{\@mc@exec@color}{#1}
    \renewcommand{\@mc@exec@shade}{true}
  }
% sonst nicht:
\DeclareOptionX[MC]{nocolor}{
  \@usecolortrue
  \renewcommand{\@mc@exec@color}{black}
  \renewcommand{\@mc@exec@shade}{false}
}
% shade separat (de-)aktivieren
\DeclareOptionX[MC]{shade}{%
  \renewcommand{\@mc@exec@shade}{true}
}
% chemexec abschalten
\newcommand{\@mc@exec@true}{true}
\DeclareOptionX[MC]{nochemexec}{%
  \renewcommand{\@mc@exec@true}{false}
}
% englische Version von chemexec, englische Variante von myChemistry
\newcommand{\@mc@exec@english}{}
\newcommand{\@mc@rs@name}{Reaktionsschema}
\DeclareOptionX[MC]{english}{
  \renewcommand{\@mc@exec@english}{,english}
  \renewcommand{\@mc@rs@name}{Reaction scheme}
}
\newcommand{\@mc@rs@placement}{H}
\newcommand{\@mc@rs@currentplacement}{\@mc@rs@placement}
\define@key[MC]{mychemistry.sty}{placement}{
  \renewcommand{\@mc@rs@placement}{#1}
}
\ProcessOptionsX[MC]
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% chemcompounds laden, falls verfügbar
\IfFileExists{chemcompounds.sty}{%
  \@ifpackageloaded{chemcompounds}{}{
    \RequirePackage{chemcompounds}
  }
}{
  \typeout{`chemcompounds' is not installed.}
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% chemfig laden, falls verfügbar
\IfFileExists{chemfig.sty}{%
  \@ifpackageloaded{chemfig}{}{
    \RequirePackage{chemfig}
  }
  \usetikzlibrary{arrows,positioning,decorations.pathmorphing,shapes,calc,matrix,chains,scopes}
}{% sonst Fehlermeldung
  \PackageError{mychemistry}{`ChemFig' is not installed! `mychemistry' can't work without it!}
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% chemexec laden, falls verfügbar, falls nicht, dann wenigstens mhchem laden
\IfFileExists{chemexec.sty}{% mit den Default-Optionen color=black, shade=false,exercise,exersize=large
  \ifthenelse{\equal{\@mc@exec@true}{true}}{
    \@ifpackageloaded{chemexec}{}{
      \RequirePackage[color=\@mc@exec@color,shade=\@mc@exec@shade,exercise,exersize=large\@mc@exec@english]{chemexec}
    }
  }{}
}{
  \typeout{`chemexec' ist not installed.}
  \IfFileExists{mhchem.sty}{
    \@ifpackageloaded{mhchem}{}{
      \RequirePackage[version=3]{mhchem}
    }
  }{
    \typeout{`mhchem' ist not installed.}
  }
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% ochem laden, falls verfügbar
%\IfFileExists{ochem.sty}{%
%  \@ifpackageloaded{ochem}{}{
%    \RequirePackage{ochem}
%  }
%}{
%  \typeout{`ochem' is not installed.}
%}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% NEUE BEFEHLE:                                                                         %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\providecommand{\mCversion}{\@mc@version}
\providecommand{\mCdate}[1]{
  \ifthenelse{\equal{#1}{de}}{\@mc@date@de}{}
  \ifthenelse{\equal{#1}{en}}{\@mc@date@en}{}
}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% PFEILE ------------------------------------------------------------------------------ %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% interne Befehle, Voreinstellungen --------------------------------------------------- %
\newcommand{\@arrow@above}{above}                % oben
\newcommand{\@arrow@currentabove}{\@arrow@above} %
\newcommand{\@arrow@below}{below}                % unten
\newcommand{\@arrow@currentbelow}{\@arrow@below} %
\newcommand{\@arrow@direction}{right}            % Richtung
\newcommand{\@arrow@currentdirection}{\@arrow@direction}
\newcommand{\@arrow@currentlength}{\@arrow@length}
\newcommand{\@arrow@yshift}{0}                   % Verschieben der Beschriftung
\newcommand{\@arrow@xshift}{0}                   %
\newcommand{\@arrow@type}{->}                    % Pfeiltyp
\newcommand{\@arrow@currenttype}{\@arrow@type}   %
\newcommand{\@arrow@start@up}{0,0.05}            % Verschiebung für Glgw-Pfeil
\newcommand{\@arrow@start@down}{0,-0.05}         %
\newcommand{\@arrow@placement}{on chain=going \@arrow@currentdirection} % wohin?
\newcommand{\@arrow@currentplacement}{\@arrow@placement}
\newcommand{\@arrow@cross@base@x}{}              % Befehle für durchgestrichenen Pfeil
\newcommand{\@arrow@cross@base@y}{}              %
\newcommand{\@arrow@cross@angle}{}               %
\newcommand{\@arrow@cross@length}{}              %
\newcommand{\@arrow@cross@draw}{}                %

% Laengenfaktor ----------------------------------------------------------------------- %
\newcommand{\@arrow@length}{1.0}                 % Längenfaktor
\newcommand{\@arrow@length@factor}{1.0}          % Default-Faktor
\newcommand{\@arrow@end}{\@arrow@length@factor\@arrow@length@default,0} % Pfeilende
\define@key{arrow}{length}[\@arrow@length]{%     %
    \renewcommand{\@arrow@currentlength}{#1}}%   %
\newlength{\@arrow@length@default}               %
\setlength{\@arrow@length@default}{5em}          % Default-Laenge
\newcommand{\arrowlength}[1]{\setlength{\@arrow@length@default}{#1}}

% Anker ------------------------------------------------------------------------------- %
\newcommand{\@arrow@name}{}                      % Anker
\newcommand{\@arrow@currentname}{\@arrow@name}   %
\define@key{arrow}{name}[\@arrow@name]{%         %
    \renewcommand{\@arrow@currentname}{#1}}%     %

% Richtung ---------------------------------------------------------------------------- %
% Vorbefehl: Quadratwurzel berechnen
\newdimen\eins
\newlength\zwei
\newdimen\wert
\newlength\squareroot % Wert der Wurzelberechnung, in pt
\newcommand{\wurzel}[1]{% Wurzelberechnung, Naeherung nach Heron (sechs Iterationen)
\setlength\zwei{#1} %x
\wert=\zwei %x
\eins=\zwei %a
% erste Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a
% zweite Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a
% dritte Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a
% vierte Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a
% fuenfte Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a
% sechste Iteration:
\setlength\zwei{1pt*\ratio{\wert}{\eins}} %b=x/a
\advance\eins by \zwei %a+b
\divide\eins by 2 %(a+b)2 = a

\setlength\squareroot{\eins}
}
\newlength{\@arrow@shift@value}                  % Shift: Verschieben der Beschriftung,
\newcommand{\@arrow@shift}[1]{\wurzel{#1pt}      % abhängig von der Pfeilausrichtung
  \setlength{\@arrow@shift@value}{\squareroot*40}}

\define@key{arrow}{direction}[\@arrow@direction]{%
    \renewcommand{\@arrow@currentdirection}{#1}  %
    \ifthenelse{\equal{#1}{right}}{% nach rechts, Einstellungen:
     \renewcommand{\@arrow@end}{\@arrow@length@factor\@arrow@length@default,0}
     \renewcommand{\@arrow@currentabove}{above}
     \renewcommand{\@arrow@currentbelow}{below}
     \renewcommand{\@arrow@xshift}{0}
     \renewcommand{\@arrow@yshift}{1.2em}
     \renewcommand{\@arrow@start@up}{0,0.03}
     \renewcommand{\@arrow@start@down}{0,-0.03}
     \renewcommand{\@arrow@cross@base@x}{.15em}
     \renewcommand{\@arrow@cross@base@y}{0}
     \renewcommand{\@arrow@cross@angle}{60}
     \renewcommand{\@arrow@cross@length}{.5em}
    }{
     \ifthenelse{\equal{#1}{above right}}{% nach oben rechts, Einstellungen:
      \renewcommand{\@arrow@end}{\@arrow@length@factor\@arrow@length@default,\@arrow@length@factor\@arrow@length@default}
      \renewcommand{\@arrow@currentabove}{above left}
      \renewcommand{\@arrow@currentbelow}{below right}
      \renewcommand{\@arrow@xshift}{\the\@arrow@shift@value}
      \renewcommand{\@arrow@yshift}{\the\@arrow@shift@value}
      \renewcommand{\@arrow@start@up}{0.02,-0.02}
      \renewcommand{\@arrow@start@down}{-0.02,0.02}
      \renewcommand{\@arrow@cross@base@x}{.1em}
      \renewcommand{\@arrow@cross@base@y}{.1em}
      \renewcommand{\@arrow@cross@angle}{-15}
      \renewcommand{\@arrow@cross@length}{.7em}
     }{
     \ifthenelse{\equal{#1}{above}}{% nach oben, Einstellungen:
      \renewcommand{\@arrow@end}{0,\@arrow@length@factor\@arrow@length@default}
      \renewcommand{\@arrow@currentabove}{left}
      \renewcommand{\@arrow@currentbelow}{right}
      \renewcommand{\@arrow@xshift}{1.2em}
      \renewcommand{\@arrow@yshift}{0}
      \renewcommand{\@arrow@start@up}{0.03,0}
      \renewcommand{\@arrow@start@down}{-0.03,0}
      \renewcommand{\@arrow@cross@base@x}{0}
      \renewcommand{\@arrow@cross@base@y}{.15em}
      \renewcommand{\@arrow@cross@angle}{30}
      \renewcommand{\@arrow@cross@length}{.5em}
      }{
       \ifthenelse{\equal{#1}{above left}}{% nach oben links, Einstellungen:
        \renewcommand{\@arrow@end}{-\@arrow@length@factor\@arrow@length@default,\@arrow@length@factor\@arrow@length@default}
        \renewcommand{\@arrow@currentabove}{above right}
        \renewcommand{\@arrow@currentbelow}{below left}
        \renewcommand{\@arrow@xshift}{-\the\@arrow@shift@value}
        \renewcommand{\@arrow@yshift}{\the\@arrow@shift@value}
        \renewcommand{\@arrow@start@up}{-0.02,-0.02}
        \renewcommand{\@arrow@start@down}{0.02,0.02}
        \renewcommand{\@arrow@cross@base@x}{-.1em}
        \renewcommand{\@arrow@cross@base@y}{.1em}
        \renewcommand{\@arrow@cross@angle}{15}
        \renewcommand{\@arrow@cross@length}{.7em}
       }{
       \ifthenelse{\equal{#1}{left}}{% nach links, Einstellungen:
        \renewcommand{\@arrow@end}{-\@arrow@length@factor\@arrow@length@default,0}
        \renewcommand{\@arrow@currentabove}{above}
        \renewcommand{\@arrow@currentbelow}{below}
        \renewcommand{\@arrow@xshift}{0}
        \renewcommand{\@arrow@yshift}{1.2em}
        \renewcommand{\@arrow@start@up}{0,0.03}
        \renewcommand{\@arrow@start@down}{0,-0.03}
        \renewcommand{\@arrow@cross@base@x}{.15em}
        \renewcommand{\@arrow@cross@base@y}{0}
        \renewcommand{\@arrow@cross@angle}{60}
        \renewcommand{\@arrow@cross@length}{.5em}
       }{
        \ifthenelse{\equal{#1}{below left}}{% nach unten links, Einstellungen:
         \renewcommand{\@arrow@end}{-\@arrow@length@factor\@arrow@length@default,-\@arrow@length@factor\@arrow@length@default}
         \renewcommand{\@arrow@currentabove}{above left}
         \renewcommand{\@arrow@currentbelow}{below right}
         \renewcommand{\@arrow@xshift}{\the\@arrow@shift@value}
         \renewcommand{\@arrow@yshift}{\the\@arrow@shift@value}
         \renewcommand{\@arrow@start@up}{-0.02,0.02}
         \renewcommand{\@arrow@start@down}{0.02,-0.02}
         \renewcommand{\@arrow@cross@base@x}{.1em}
         \renewcommand{\@arrow@cross@base@y}{.1em}
         \renewcommand{\@arrow@cross@angle}{-15}
         \renewcommand{\@arrow@cross@length}{.7em}
        }{
         \ifthenelse{\equal{#1}{below}}{% nach unten, Einstellungen:
          \renewcommand{\@arrow@end}{0,-\@arrow@length@factor\@arrow@length@default}
          \renewcommand{\@arrow@currentabove}{left}
          \renewcommand{\@arrow@currentbelow}{right}
          \renewcommand{\@arrow@xshift}{1.2em}
          \renewcommand{\@arrow@yshift}{0}
          \renewcommand{\@arrow@start@up}{0.03,0}
          \renewcommand{\@arrow@start@down}{-0.03,0}
          \renewcommand{\@arrow@cross@base@x}{0}
          \renewcommand{\@arrow@cross@base@y}{.15em}
          \renewcommand{\@arrow@cross@angle}{30}
          \renewcommand{\@arrow@cross@length}{.5em}
         }{
          \ifthenelse{\equal{#1}{below right}}{% nach unten rechts, Einstellungen:
           \renewcommand{\@arrow@end}{\@arrow@length@factor\@arrow@length@default,-\@arrow@length@factor\@arrow@length@default}
           \renewcommand{\@arrow@currentabove}{above right}
           \renewcommand{\@arrow@currentbelow}{below left}
           \renewcommand{\@arrow@xshift}{-\the\@arrow@shift@value}
           \renewcommand{\@arrow@yshift}{\the\@arrow@shift@value}
           \renewcommand{\@arrow@start@up}{0.02,0.02}
           \renewcommand{\@arrow@start@down}{-0.02,-0.02}
           \renewcommand{\@arrow@cross@base@x}{-.1em}
           \renewcommand{\@arrow@cross@base@y}{.1em}
           \renewcommand{\@arrow@cross@angle}{15}
           \renewcommand{\@arrow@cross@length}{.7em}
          }{
           \PackageError{mychemistry}{Unknown arrow direction}% oder Fehler
          }
         }
        }
       }
      }
     }
    }
   }
}

% Pfeiltyp ---------------------------------------------------------------------------- %
\newcommand{\@arrow@drawing}{}
\define@key{arrow}{type}[\@arrow@type]{%
  \renewcommand{\@arrow@currenttype}{#1}
  \ifthenelse{\equal{#1}{->}}{
  \renewcommand{\@arrow@drawing}{\tikz\draw[->,thick,text height=0] (0,0) -- ++(\@arrow@end);}
  }{
    \ifthenelse{\equal{#1}{<->}}{
    \renewcommand{\@arrow@drawing}{\tikz\draw[<->,thick,text height=0] (0,0) -- ++(\@arrow@end);}
    }{
      \ifthenelse{\equal{#1}{<-}}{
      \renewcommand{\@arrow@drawing}{\tikz\draw[<-,thick,text height=0] (0,0) -- ++(\@arrow@end);}
      }{
        \ifthenelse{\equal{#1}{<=>}}{
        \renewcommand{\@arrow@drawing}{\tikz{\draw[-left to,thick,text height=0] (\@arrow@start@up) -- ++(\@arrow@end);\draw[left to-,thick,text height=0] (\@arrow@start@down) -- ++(\@arrow@end);}}
        }{
          \ifthenelse{\equal{#1}{-|>}}{
          \renewcommand{\@arrow@cross@draw}{\draw[thick] ($(@cross.base) + (\@arrow@cross@base@x,\@arrow@cross@base@y) + (\@arrow@cross@angle:\@arrow@cross@length)$) -- ($(@cross.base) + (\@arrow@cross@base@x,\@arrow@cross@base@y) + (\@arrow@cross@angle-180:\@arrow@cross@length)$);\draw[thick] ($(@cross.base) + (-\@arrow@cross@base@x,-\@arrow@cross@base@y) + (\@arrow@cross@angle:\@arrow@cross@length)$) -- ($(@cross.base) + (-\@arrow@cross@base@x,-\@arrow@cross@base@y) + (\@arrow@cross@angle-180:\@arrow@cross@length)$);}
          \renewcommand{\@arrow@drawing}{\tikz{\draw[->,thick,text height=0] (0,0) -- node[pos=.5](@cross){} ++(\@arrow@end);\@arrow@cross@draw}}
          }{
           \PackageError{mychemistry}{Unknown arrow type}% oder Fehler
          }
        }
      }
    }
  }
}%

% Pfeil zeichnen ---------------------------------------------------------------------- %
\newcommand{\@arrow}[3][]{
 \renewcommand{\@arrow@length@factor}{\@arrow@currentlength}
 \@arrow@shift{\@arrow@length@factor}
 \draw node[on chain=going \@arrow@currentdirection](\@arrow@currentname) {\@arrow@drawing};
 \begin{scope}[start branch]
   \node[on chain=going \@arrow@currentabove, yshift=-\@arrow@yshift, xshift=\@arrow@xshift]{#2};
 \end{scope}
 \begin{scope}[start branch]
   \node[on chain=going \@arrow@currentbelow, yshift=\@arrow@yshift, xshift=-\@arrow@xshift] {#3};
 \end{scope}
}

% Voreinstellungen:
\presetkeys%
  {arrow}
  {direction=\@arrow@direction,length=\@arrow@length,type=\@arrow@type}
  {}

% Eigentlicher Befehl:
\providecommand{\arrow}[3][]{
 \setkeys{arrow}{#1}
 \@arrow{#2}{#3}
}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% MERGE ------------------------------------------------------------------------------- %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\newcommand{\@merge@direction}{below}
\newcommand{\@merge@to}{}
\newcommand{\@merge@from@one}{}
\newcommand{\@merge@from@two}{}
\newcommand{\@merge}[3]{
  \renewcommand{\@merge@to}{#1}
  \renewcommand{\@merge@from@one}{#2}
  \renewcommand{\@merge@from@two}{#3}
}
% Basisbefehle ------------------------------------------------------------------------ %
\newcommand{\@merge@right}{
 \draw[stealth-,thick] ($(\@merge@to.west)+(-1em,0)$) -- ($(\@merge@to.west)+(-4em,0)$) node(crossing) {};
 \draw[thick] ($(\@merge@from@one.east)+(1em,0)$) -| (crossing.base);
 \draw[thick] ($(\@merge@from@two.east)+(1em,0)$) -| (crossing.base);
}
\newcommand{\@merge@above}{
 \draw[stealth-,thick] ($(\@merge@to.south)+(0,-1em)$) -- ($(\@merge@to.south)+(0,-4em)$) node(crossing) {};
 \draw[thick] (crossing.base) -| ($(\@merge@from@one.north)+(0,1em)$);
 \draw[thick] (crossing.base) -| ($(\@merge@from@two.north)+(0,1em)$);
}
\newcommand{\@merge@left}{
 \draw[stealth-,thick] ($(\@merge@to.east)+(1em,0)$) -- ($(\@merge@to.east)+(4em,0)$) node(crossing) {};
 \draw[thick] ($(\@merge@from@one.west)+(-1em,0)$) -| (crossing.base);
 \draw[thick] ($(\@merge@from@two.west)+(-1em,0)$) -| (crossing.base);;
}
\newcommand{\@merge@below}[3]{
 \draw[stealth-,thick] ($(\@merge@to.north)+(0,1em)$) -- ($(\@merge@to.north)+(0,4em)$) node(crossing) {};
 \draw[thick] (crossing.base) -| ($(\@merge@from@one.south)+(0,-1em)$);
 \draw[thick] (crossing.base) -| ($(\@merge@from@two.south)+(0,-1em)$);
}
% key zur Auswahl --------------------------------------------------------------------- %
\define@choicekey{merge}{direction}[\val\nr]{right,above,left,below}[below]{
  \ifcase\nr\relax
    \@merge@right
  \or
    \@merge@above
  \or
    \@merge@left
  \or
    \@merge@below
  \fi
}
% Voreinstellung ---------------------------------------------------------------------- %
\presetkeys%
  {merge}
  {direction=below}
  {}
% eigentlicher Befehl ----------------------------------------------------------------- %
\newcommand{\merge}[4][]{
  \@merge{#2}{#3}{#4}
  \setkeys{merge}{#1}
}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% REAKTIONSSCHEMA --------------------------------------------------------------------- %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% ------------------------------------------------------------------------------------- %
% Schema ------------------------------------------------------------------------------ %
% ------------------------------------------------------------------------------------- %
\newcommand{\@mc@rs@scale}{1.0}                  % Default-Skalierung
\newcommand{\@mc@rs@currentscale}{\@mc@rs@scale} %
\newcommand{\setschemename}[1]{\renewcommand{\@mc@rs@name}{#1}}
\newcommand{\@mc@rs@caption}{}                   % Beschriftung
\newcommand{\@mc@rs@label}{}                     % Label
\newcommand{\@mc@rs@currentlabel}{\@mc@rs@label} %
\define@key{rxnscheme}{label}{%                  %
  \ifthenelse{\equal{#1}{}}{}{                   %
    \renewcommand{\@mc@rs@currentlabel}{#1}      %
  }                                              %
}                                                %
\define@key{rxnscheme}{scale}[1.0]{              %
  \renewcommand{\@mc@rs@currentscale}{#1}        %
}                                                %
\define@key{rxnscheme}{name}{                    %
  \renewcommand{\@mc@rs@name}{#1}                %
}
\define@key{rxnscheme}{placement}{
  \renewcommand{\@mc@rs@currentplacement}{#1}
}
% Voreinstellungen:
\presetkeys%
  {rxnscheme}
  {scale=\@mc@rs@scale,label=\@mc@rs@label}
  {}
% Gleitumgebung
\floatstyle{ruled}
\newfloat{rxnfloat}{\@mc@rs@currentplacement}{rxnscheme}
\floatname{rxnfloat}{\@mc@rs@name}               % Name ändern
% eigentliche Umgebung:
\newenvironment{rxnscheme}[2][]{%
  \setkeys{rxnscheme}{#1}
  \renewcommand\@mc@rs@caption{#2}
  \begin{rxnfloat}
  \centering\@mc@atomsize\@mc@bondlength\@mc@bondshape
  \begin{tikzpicture}[every picture/.style={scale=\@mc@rs@currentscale},start chain,node distance = 1em]
}{%
  \end{tikzpicture}%
  \caption{\@mc@rs@caption}
  \ifthenelse{\equal{\@mc@rs@currentlabel}{}}{}{\label{\@mc@rs@currentlabel}}
  \end{rxnfloat}
}

% ------------------------------------------------------------------------------------- %
% einfache Reaktion ------------------------------------------------------------------- %
% ------------------------------------------------------------------------------------- %
\newcommand{\@mc@reaction@scale}{1.0}
\newenvironment{rxn}[1][1.0]{%
  \begin{center}
  \@mc@bondlength\@mc@bondshape\@mc@atomsize\renewcommand{\@mc@reaction@scale}{#1}
  \begin{tikzpicture}[every picture/.style={scale=\@mc@reaction@scale},start chain,node distance = 1em]
}{%
  \end{tikzpicture}%
  \end{center}
}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% REAKTANDEN -------------------------------------------------------------------------- %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Standardreaktand -------------------------------------------------------------------- %
\newcommand{\@mc@reactand}[3][]{\draw node[on chain=going #1](#3) {#2};}
\providecommand{\reactand}[3][right]{\@mc@reactand[#1]{#2}{#3}}

% Mesomerie --------------------------------------------------------------------------- %
\newcommand{\@mc@mesomeric}[3][]{\draw node[on chain=going #1,left delimiter={[},right delimiter={]}](#3) {#2};}
\providecommand{\mesomeric}[3][right]{\@mc@mesomeric[#1]{\begin{tikzpicture}[start branch]#2\end{tikzpicture}}{#3}}
\providecommand{\marrow}[1][right]{\arrow[type=<->,length=.5,direction=#1]{}{}}
\providecommand{\dummy}[1][]{\draw node[on chain,xshift=-1em](#1) {};}

% Uebergangszustand ------------------------------------------------------------------- %
\newcommand\@mc@transition@name{}
\newcommand{\@mc@transition}[3][]{
  \ifthenelse{\equal{#3}{}}{\renewcommand\@mc@transition@name{a}}{\renewcommand\@mc@transition@name{#3}}
  \draw node[on chain=going #1,left delimiter={[},right delimiter={]}](\@mc@transition@name) {#2} node at ($(\@mc@transition@name.north east)+(.25,0)$) {$\ddagger$};
}
\providecommand{\transition}[3][right]{\@mc@transition[#1]{\begin{tikzpicture}[start branch]#2\end{tikzpicture}}{#3}}

% Abzweigung -------------------------------------------------------------------------- %
\newcommand{\@mc@branch}[3][]{\node[#1] (#3) {#2};}
\providecommand{\branch}[3][on chain=going right]{\@mc@branch[#1]{\begin{tikzpicture}[start branch]#2\end{tikzpicture}}{#3}}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Sonstiges --------------------------------------------------------------------------- %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Elektronenverschiebungspfeile ------------------------------------------------------- %
\providecommand{\elmove}[5][->,red,shorten <=3pt,shorten >=1pt]{\chemmove{\draw[#1](#2).. controls +(#3) and +(#5)..(#4);}}
% Bindungslänge ----------------------------------------------------------------------- %
\newcommand{\@mc@bondlength}{\setatomsep{1.8em}}
\providecommand{\bondlength}[1]{
  \ifthenelse{\equal{#1}{}}{
    \renewcommand{\@mc@bondlength}{\setatomsep{1.8em}}
  }{
    \renewcommand{\@mc@bondlength}{\setatomsep{#1}}
  }
}
% Keilbindungen ----------------------------------------------------------------------- %
\newcommand{\@mc@bondshape@one}{3pt}
\newcommand{\@mc@bondshape@two}{.5pt}
\newcommand{\@mc@bondshape@three}{1pt}
\providecommand{\bondshape}[3]{
  \ifthenelse{\equal{#1}{}}{
    \renewcommand{\@mc@bondshape@one}{3pt}
  }{
    \renewcommand{\@mc@bondshape@one}{#1}
  }
  \ifthenelse{\equal{#2}{}}{
    \renewcommand{\@mc@bondshape@two}{.5pt}
  }{
    \renewcommand{\@mc@bondshape@two}{#2}
  }
  \ifthenelse{\equal{#3}{}}{
    \renewcommand{\@mc@bondshape@three}{1pt}
  }{
    \renewcommand{\@mc@bondshape@three}{#3}
  }
}
\newcommand{\@mc@bondshape}{\setcrambond{\@mc@bondshape@one}{\@mc@bondshape@two}{\@mc@bondshape@three}}
% Atomgröße --------------------------------------------------------------------------- %
\newcommand{\@mc@atomsize}{\small}
\providecommand{\atomsize}[1]{
  \ifthenelse{\equal{#1}{}}{
    \renewcommand{\@mc@atomsize}{\small}
  }{
    \renewcommand{\@mc@atomsize}{#1}
  }
}
% ------------------------------------------------------------------------------------- %