% \iffalse meta-comment
%% File: aliphat.dtx
%
% Copyright 1993,1996,1998,2001,2002,2004,2005,2009,2010,2013 by Shinsaku Fujita
%
% This file is part of XyMTeX system.
% -------------------------------------
%
% This file is a successor to:
%
% aliphat.sty
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}
% \typeout{ -- Released December 1, 1993 by Shinsaku Fujita}
% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.
%
% This file is a part of the macro package ``XyMTeX'' which has been
% designed for typesetting chemical structural formulas.
%
% This file is to be contained in the ``xymtex'' directory which is
% an input directory for TeX. It is a LaTeX optional style file and
% should be used only within LaTeX, because several macros of the file
% are based on LaTeX commands.
%
% For the review of XyMTeX, see
% (1) Shinsaku Fujita, ``Typesetting structural formulas with the text
% formatter TeX/LaTeX'', Computers and Chemistry, in press.
% The following book deals with an application of TeX/LaTeX to
% preparation of manuscripts of chemical fields:
% (2) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists''
% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].
%
% This work may be distributed and/or modified under the
% conditions of the LaTeX Project Public License, either version 1.3
% of this license or (at your option) any later version.
% The latest version of this license is in
% http://www.latex-project.org/lppl.txt
% and version 1.3 or later is part of all distributions of LaTeX
% version 2005/12/01 or later.
%
% This work has the LPPL maintenance status `maintained'.
% The Current Maintainer of this work is Shinsaku Fujita.
%
% This work consists of the files aliphat.dtx and aliphat.ins
% and the derived file aliphat.sty.
%
% Please report any bugs, comments, suggestions, etc. to:
% (Old Address) Shinsaku Fujita,
% Ashigara Research Laboratories, Fuji Photo Film Co., Ltd.,
% Minami-Ashigara, Kanagawa-ken, 250-01, Japan.
% (Present Address) Shinsaku Fujita
% Shonan Institute of Chemoinformatics and
% Mathematical Chemistry
% fujita-sicimc@nifmail.jp
%
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{December 01, 1993}
% \def\versi@nno{ver1.00}
% \def\copyrighth@lder{SF}% Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{August 16, 1996}
% \def\versi@nno{ver1.01}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{October 31, 1998}
% \def\versi@nno{ver1.02}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{December 25, 1998}
% \def\versi@nno{ver2.00}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{June 20, 2001}
% \def\versi@nno{ver2.01}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{April 30, 2002}
% \def\versi@nno{ver3.00}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{May 30, 2002}
% \def\versi@nno{ver4.00}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{August 30, 2004}
% \def\versi@nno{ver4.01}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{December 20, 2004}
% \def\versi@nno{ver4.02}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{July 20, 2005}
% \def\versi@nno{ver4.03}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{November 07, 2009}
% \def\versi@nno{ver4.05}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{October 01, 2010}
% \def\versi@nno{ver5.00}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% \def\j@urnalname{aliphat}
% \def\versi@ndate{April 02, 2013}
% \def\versi@nno{ver5.01b}
% \def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%
% \fi
%
% \CheckSum{6477}
%% \CharacterTable
%% {Upper-case \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
%% Lower-case \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
%% Digits \0\1\2\3\4\5\6\7\8\9
%% Exclamation \! Double quote \" Hash (number) \#
%% Dollar \$ Percent \% Ampersand \&
%% Acute accent \' Left paren \( Right paren \)
%% Asterisk \* Plus \+ Comma \,
%% Minus \- Point \. Solidus \/
%% Colon \: Semicolon \; Less than \<
%% Equals \= Greater than \> Question mark \?
%% Commercial at \@ Left bracket \[ Backslash \\
%% Right bracket \] Circumflex \^ Underscore \_
%% Grave accent \` Left brace \{ Vertical bar \|
%% Right brace \} Tilde \~}
%
% \setcounter{StandardModuleDepth}{1}
%
% \StopEventually{}
% \MakeShortVerb{\|}
%
% \iffalse
% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}
% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}
% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}
% \changes{v2.01}{2001/06/20}{Size reduction and clipping information}
% \changes{v2.01}{2001/06/21}{The command \cs{dotorline} is added.}
% \changes{v3.00}{2002/04/30}{sfpicture environment, etc.}
% \changes{v4.00}{2002/05/30}{PostScript output and ShiftPicEnv}
% \changes{v4.01}{2004/08/30}{Variable size of a central atom}
% \changes{v4.02}{2004/12/20}{Tetrhedral units with wedges bonds}
% \changes{v4.02a}{2004/12/27}{Bug fix: \cs{square} to \cs{squarecomplex}}
% \changes{v4.03}{2004/07/20}{Wave bonds}
% \changes{v4.05}{2009/11/07}{Bug fix: \cs{@tetrahedral} to \cs{@@tetrahedral}}
% \changes{v5.00}{2010/10/01}{Bond Coloring and the LaTeX Project Public License;
% \cs{square} renamed into \cs{squareplanar}}
% \changes{v5.01b}{2013/04/02}{Bug fix: \cs{Nothbond}, \cs{Southbond}, etc}
% \changes{v5.01}{2013/07/30}{Bug fix: \cs{yltetrahedralposition}, etc}
% \fi
%
% \iffalse
%<*driver>
\NeedsTeXFormat{pLaTeX2e}
% \fi
\ProvidesFile{aliphat.dtx}[2013/07/30 v5.01 XyMTeX{} package file]
% \iffalse
\documentclass{ltxdoc}
\GetFileInfo{aliphat.dtx}
%
% %%XyMTeX Logo: Definition 2%%%
\def\UPSILON{\char'7}
\def\XyM{X\kern-.30em\smash{%
\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
\def\XyMTeX{\XyM\kern-.1em\TeX}
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\title{Aliphatic compounds by {\sffamily aliphat.sty}
(\fileversion) of \XyMTeX{}}
\author{Shinsaku Fujita \\
Shonan Institute of Chemoinformatics and Mathematical Chemistry, \\
Kanagawa, 258-0019, Japan
% Department of Chemistry and Materials Technology, \\
% Kyoto Institute of Technology, \\
% Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan
% % (old address)
% % Ashigara Research Laboratories,
% % Fuji Photo Film Co., Ltd., \\
% % Minami-Ashigara, Kanagawa, 250-01 Japan
}
\date{\filedate}
%
\begin{document}
\maketitle
\DocInput{aliphat.dtx}
\end{document}
%</driver>
% \fi
%
% \section{Introduction}\label{aliphat:intro}
%
% \subsection{Options for {\sffamily docstrip}}
%
% \DeleteShortVerb{\|}
% \begin{center}
% \begin{tabular}{|l|l|}
% \hline
% \emph{option} & \emph{function}\\ \hline
% aliphat & aliphat.sty \\
% driver & driver for this dtx file \\
% \hline
% \end{tabular}
% \end{center}
% \MakeShortVerb{\|}
%
% \subsection{Version Information}
%
% \begin{macrocode}
%<*aliphat>
\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 5.01}
\typeout{ -- Released July 20, 2013 by Shinsaku Fujita}
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\def\j@urnalname{aliphat}
\def\versi@ndate{July 20, 2013}
\def\versi@nno{ver5.01}
\def\copyrighth@lder{SF} % Shinsaku Fujita
% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
\space[\copyrighth@lder]}
% \end{macrocode}
%
% \section{List of commands for aliphat.sty}
%
% \begin{verbatim}
% *********************************
% * aliphat.sty: list of commands *
% *********************************
%
% <Conventions for bond-setting>
%
% \Northbond
% \Eastbond
% \Southbond
% \Westbond
% \NEBond
% \NEbond
% \SEBond
% \SEbond
% \NWBond
% \NWbond
% \SWBond
% \SWbond
%
% \NEBOND
% \NWBOND
% \SEBOND
% \SWBOND
%
% <Macros for position adjustment>
% \ylrtrigonalposition
% \ylRtrigonalposition
% \ylltrigonalposition
% \ylLtrigonalposition
% \ylutrigonalposition
% \ylUtrigonalposition
% \yldtrigonalposition
% \ylDtrigonalposition
%
% \yltethedralposition
% \ylsquareposition
%
% \ylethylenepositiona
% \ylethylenepositionb
% \ylethylenevpositiona
% \ylethylenevpositionb
%
% <Macros for tetravalent atoms>
%
% \tetrahedral \@tetrahedral
% \square ---> \squarplanar \@square ---> \@squareplanar
%
% <Macros for trivalent atoms>
%
% \rtrigonal \@rtrigonal
% \Rtrigonal \@Rtrigonal
% \ltrigonal \@ltrigonal
% \Ltrigonal \@Ltrigonal
% \utrigonal \@utrigonal
% \Utrigonal \@Utrigonal
% \dtrigonal \@dtrigonal
% \Dtrigonal \@Dtrigonal
%
% <Macros for two-carbon compounds>
%
% \ethylene \@ethylene
% \ethyleneh
% \Ethylene \@Ethylene
% \Ethyleneh
% \ethylenev \@ethylenev
% \Ethylenev \@Ethylenev
%
% <Macros for stereo-projection>
%
% \tetrastereo \@tetrastereo
% \dtetrastereo \@dtetrastereo
% \ethanestereo \@ethanestereo
%
% <Macros for tetrahedral units with wedged bonds>
%
% \rtetrahedralS \RtetrahedralS
% \ltetrahedralS \LtetrahedralS
% \utetrahedralS \UtetrahedralS
% \dtetrahedralS \DtetrahedralS
% \htetrahedralS
%
% <Macros for trigonal bipyramidal intermediates>
%
% \utrigpyramid \dtrigpyramid
% \end{verbatim}
%
% \section{Input of basic macros}
%
% To assure the compatibility to \LaTeX{}2.09 (the native mode),
% the commands added by \LaTeXe{} have not been used in the resulting sty
% files ({\sf aliphat.sty} for the present case). Hence, the combination
% of |\input| and |\@ifundefined| is used to crossload sty
% files ({\sf chemstr.sty} for the present case) in place of the
% |\RequirePackage| command of \LaTeXe{}.
%
% \changes{v4.01}{2004/8/30}{Adding \cs{ifno@centeratom}}
% \begin{macrocode}
% *************************
% * input of basic macros *
% *************************
\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
\unitlength=0.1pt
\newif\ifno@centeratom \no@centeratomfalse
% \end{macrocode}
%
% \section{Macros for bond-setting}
%
% Single, double and triple bonds of aliphatic compounds are represented
% by horizontal, vertical or sloped lines,
% which can be drawn by such commands as |\Eastbond|,
% |\Northbond| and |\SEbond|.
% \changes{v1.02}{1998/10/20}{Adding \cs{NEBOND}, \cs{SEBOND}, \cs{NWBOND},
% and \cs{SWBOND}}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v2.01}{2001/06/21}{The command \cs{dotorline} is added.}
% \changes{v4.00}{2002/06/13}{Bug fix: Northbond etc. A and B inversed}
% \changes{v4.01}{2004/8/30}{Variable bond length.}
% \changes{v5.01}{2013/04/02}{Bug fix}
%
% \begin{macro}{\Northbond}
% \begin{macrocode}
% ********************************
% * Conventions for bond-setting *
% ********************************
\def\Northbond{%
\@ifnextchar[{\N@rthbond}{\N@rthbond[]}}
\def\N@rthbond[#1]{%
\yl@xdiff=40
\yl@ydiff=-15
\def\@tempXX{#1}%
\ifx\@tempXX\empty
\@tempcnta=100\relax
\@tempcntb=100\relax
\else
\@tempcnta=#1\relax
\@tempcntb=#1\relax
\fi
\ifno@centeratom
\advance\@tempcnta by52\relax
\advance\@tempcntb by52\relax
\fi
\edef\@tempcntavaluea{\the\@tempcnta}%
\@tempcnta=\@tempcntb
\ifno@centeratom\else%%added2013/4/2
\advance\@tempcnta by52\relax
\fi
\edef\@tempcntavalueb{\the\@tempcnta}%
\@tempcnta=\@tempcntb
\ifno@centeratom
\advance\@tempcnta by15\relax%%67-52=15added2013/4/2
\else
\advance\@tempcnta by67\relax
\fi
\edef\@tempcntavaluec{\the\@tempcnta}%
%\begin{sfpicture}(100,200)(0,0)
\begin{sfpicture}(0,0)(0,0)
\ifno@centeratom%
\if\@tmpb D\relax%
% \Multiput@Direct(-13,0)(26,0){2}{\line(0,1){\@tempcntavaluea}}% double bond up
\Multiput@Direct(-13,0)(26,0){2}{\Put@Line(0,0)(0,1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(-20,0)(20,0){3}{\line(0,1){\@tempcntavaluea}}% triple bond up
\Multiput@Direct(-20,0)(20,0){3}{\Put@Line(0,0)(0,1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(-8,0)(0,1){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(0,0)(0,1){\@tempcntavaluea}/(0,0)(0,\@tempcntavalueb)%
\else\if\@tmpb S%
\Put@Line(0,0)(0,1){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(0,0)(0,1){\@tempcntavaluea}%
}%
\else \Put@Line(0,0)(0,1){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\else%
\if\@tmpb D\relax%
% \Multiput@Direct(-13,52)(26,0){2}{\line(0,1){\@tempcntavaluea}}% double bond up
\Multiput@Direct(-13,52)(26,0){2}{\Put@Line(0,0)(0,1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(-20,52)(20,0){3}{\line(0,1){\@tempcntavaluea}}% triple bond up
\Multiput@Direct(-20,52)(20,0){3}{\Put@Line(0,0)(0,1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(-8,52)(0,1){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(0,52)(0,1){\@tempcntavaluea}/(0,52)(0,\@tempcntavalueb)%
\else\if\@tmpb S%
\Put@Line(0,52)(0,1){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(0,52)(0,1){\@tempcntavaluea}%
}%
\else \Put@Line(0,52)(0,1){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\fi%
\putlratom{-40}{\@tempcntavaluec}{\@memberb}%==1 upper substituent
\end{sfpicture}}%End of Northbond
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v4.01}{2004/8/30}{Variable bond length.}
% \changes{v5.01}{2013/04/02}{Bug fix}
%
% \begin{macro}{\Eastbond}
% \begin{macrocode}
\def\Eastbond{%
\@ifnextchar[{\E@stbond}{\E@stbond[]}}
\def\E@stbond[#1]{%
\yl@xdiff=-10
\yl@ydiff=33
\edef\@tempXX{#1}%
\ifx\@tempXX\empty
\@tempcnta=140\relax
\@tempcntb=140\relax
\else
\@tempcnta=#1\relax
\@tempcntb=#1\relax
\fi
\ifno@centeratom%
\advance\@tempcnta by50\relax
\advance\@tempcntb by50\relax
\fi
\edef\@tempcntavaluea{\the\@tempcnta}%
\@tempcnta=\@tempcntb
\ifno@centeratom\else%%added 2013/4/2
\advance\@tempcnta by63\relax
\fi
\edef\@tempcntavalueb{\the\@tempcnta}%
\@tempcnta=\@tempcntb
\ifno@centeratom
\advance\@tempcnta by13\relax%%63-50=13added 2013/4/2
\else
\advance\@tempcnta by50\relax
\fi
\edef\@tempcntavaluec{\the\@tempcnta}%
%\begin{sfpicture}(200,200)(0,0)
\begin{sfpicture}(0,0)(0,0)
\ifno@centeratom%
\if\@tmpb D\relax%
% \Multiput@Direct(0,-13)(0,26){2}{\line(1,0){\@tempcntavaluea}}% double bond right
\Multiput@Direct(0,-13)(0,26){2}{\Put@Line(0,0)(1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(0,-20)(0,20){3}{\line(1,0){\@tempcntavaluea}}% double bond right
\Multiput@Direct(0,-20)(0,20){3}{\Put@Line(0,0)(1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(0,0)(1,0){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(0,0)(1,0){\@tempcntavaluea}/(0,0)(\@tempcntavaluec,0)%
\else\if\@tmpb S%
\Put@Line(0,0)(1,0){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(0,0)(1,0){\@tempcntavaluea}%
}%
\else \Put@Line(0,0)(1,0){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\else%
\if\@tmpb D\relax%
% \Multiput@Direct(50,-13)(0,26){2}{\line(1,0){\@tempcntavaluea}}% double bond right
\Multiput@Direct(50,-13)(0,26){2}{\Put@Line(0,0)(1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(50,-20)(0,20){3}{\line(1,0){\@tempcntavaluea}}% double bond right
\Multiput@Direct(50,-20)(0,20){3}{\Put@Line(0,0)(1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(50,0)(1,0){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(50,0)(1,0){\@tempcntavaluea}/(50,0)(\@tempcntavaluec,0)%
\else\if\@tmpb S%
\Put@Line(50,0)(1,0){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(50,0)(1,0){\@tempcntavaluea}%
}%
\else \Put@Line(50,0)(1,0){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\fi%
\putratom{\@tempcntavalueb}{-33}{\@memberb}%==2 right substituent
\end{sfpicture}}%End of Eastbond
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v4.01}{2004/8/30}{Variable bond length.}
% \changes{v5.01}{2013/04/02}{Bug fix}
%
% \begin{macro}{\Southbond}
% \begin{macrocode}
\def\Southbond{%
\@ifnextchar[{\S@uthbond}{\S@uthbond[]}}
\def\S@uthbond[#1]{%
\yl@xdiff=40
\yl@ydiff=95
\def\@tempXX{#1}%
\ifx\@tempXX\empty
\@tempcnta=100\relax
\@tempcntb=100\relax
\else
\@tempcnta=#1\relax
\@tempcntb=#1\relax
\fi
\ifno@centeratom
\advance\@tempcnta by48\relax
\advance\@tempcntb by48\relax
\fi
\edef\@tempcntavaluea{\the\@tempcnta}%
\@tempcnta=-\@tempcntb
\ifno@centeratom\else%%added2013/4/2
\advance\@tempcnta by-48\relax
\fi
\edef\@tempcntavalueb{\the\@tempcnta}%
\@tempcnta=-\@tempcntb
\ifno@centeratom
\advance\@tempcnta by-90\relax%%143-48=98 (-8) added2013/4/2
\else
\advance\@tempcnta by-143\relax
\fi
\edef\@tempcntavaluec{\the\@tempcnta}%
%\begin{sfpicture}(100,300)(0,0)
\begin{sfpicture}(0,0)(0,0)
\ifno@centeratom%
\if\@tmpb D\relax%
% \Multiput@Direct(-13,0)(26,0){2}{\line(0,-1){\@tempcntavaluea}}% double bond down
\Multiput@Direct(-13,0)(26,0){2}{\Put@Line(0,0)(0,-1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(-20,0)(20,0){3}{\line(0,-1){\@tempcntavaluea}}% double bond down
\Multiput@Direct(-20,0)(20,0){3}{\Put@Line(0,0)(0,-1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(-8,0)(0,-1){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(0,0)(0,-1){\@tempcntavaluea}/(0,0)(0,\@tempcntavalueb)%
\else\if\@tmpb S%
\Put@Line(0,-0)(0,-1){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(0,-0)(0,-1){\@tempcntavaluea}%
}%
\else \Put@Line(0,0)(0,-1){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\else%
\if\@tmpb D\relax%
% \Multiput@Direct(-13,-48)(26,0){2}{\line(0,-1){\@tempcntavaluea}}% double bond down
\Multiput@Direct(-13,-48)(26,0){2}{\Put@Line(0,0)(0,-1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(-20,-48)(20,0){3}{\line(0,-1){\@tempcntavaluea}}% double bond down
\Multiput@Direct(-20,-48)(20,0){3}{\Put@Line(0,0)(0,-1){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(-8,-48)(0,-1){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
\dotorline(0,-48)(0,-1){\@tempcntavaluea}/(0,-48)(0,\@tempcntavalueb)%
\else\if\@tmpb S%
\Put@Line(0,-48)(0,-1){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(0,-48)(0,-1){\@tempcntavaluea}%
}%
\else \Put@Line(0,-48)(0,-1){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\fi%
\putlratom{-40}{\@tempcntavaluec}{\@memberb}%==3 down substituent
\end{sfpicture}}%End of Southbond
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v4.01}{2004/8/30}{Variable bond length.}
% \changes{v5.01}{2013/04/02}{Bug fix}
%
% \begin{macro}{\Westbond}
% \begin{macrocode}
\def\Westbond{%
\@ifnextchar[{\W@stbond}{\W@stbond[]}}
\def\W@stbond[#1]{%
\yl@xdiff=10
\yl@ydiff=33
\def\@tempXX{#1}%
\ifx\@tempXX\empty
\@tempcnta=140\relax
\@tempcntb=140\relax
\else
\@tempcnta=#1\relax
\@tempcntb=#1\relax
\fi
\ifno@centeratom
\advance\@tempcnta by50\relax
\advance\@tempcntb by50\relax
\fi
\edef\@tempcntavaluea{\the\@tempcnta}%
\@tempcnta=-\@tempcntb
\ifno@centeratom\else%%added 2013/4/2
\advance\@tempcnta by-63\relax
\fi
\edef\@tempcntavalueb{\the\@tempcnta}%
\@tempcnta=\@tempcntb
\ifno@centeratom
\advance\@tempcnta by-13\relax%%63-50=13 added 2013/4/2
\else%
\advance\@tempcnta by50\relax
\fi
\edef\@tempcntavaluec{\the\@tempcnta}%
%\begin{sfpicture}(100,300)(0,0)
\begin{sfpicture}(0,0)(0,0)
\ifno@centeratom%
\if\@tmpb D\relax%
% \Multiput@Direct(0,-13)(0,26){2}{\line(-1,0){\@tempcntavaluea}}% double bond left
\Multiput@Direct(0,-13)(0,26){2}{\Put@Line(0,0)(-1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(0,-20)(0,20){3}{\line(-1,0){\@tempcntavaluea}}% double bond left
\Multiput@Direct(0,-20)(0,20){3}{\Put@Line(0,0)(-1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(0,0)(-1,0){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
%% \dotorline(0,0)(-1,0){\@tempcntavaluea}/(\@tempcntavalueb,0)(-40,0)%
\dotorline(0,0)(-1,0){\@tempcntavaluea}/(0,0)(\@tempcntavalueb,0)%2013/04/02
\else\if\@tmpb S%
\Put@Line(0,0)(-1,0){\@tempcntavaluea}%
\else\if\@tmpb U% undefine
{%
\WaveBonds%
\Put@Line(0,0)(-1,0){\@tempcntavaluea}%
}%
\else \Put@Line(0,0)(-1,0){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\else%
\if\@tmpb D\relax%
% \Multiput@Direct(-50,-13)(0,26){2}{\line(-1,0){\@tempcntavaluea}}% double bond left
\Multiput@Direct(-50,-13)(0,26){2}{\Put@Line(0,0)(-1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb T\relax%
% \Multiput@Direct(-50,-20)(0,20){3}{\line(-1,0){\@tempcntavaluea}}% double bond left
\Multiput@Direct(-50,-20)(0,20){3}{\Put@Line(0,0)(-1,0){\@tempcntavaluea}}%2010/10/01
\else\if\@tmpb B%(B) beta <-- alpha 2002/6/13
{\thicklines\Put@Line(-50,0)(-1,0){\@tempcntavaluea}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha <-- beta 2002/6/13
%% \dotorline(-50,0)(-1,0){\@tempcntavaluea}/(\@tempcntavalueb,0)(-40,0)%
% \dotorline(-50,0)(-1,0){\@tempcntavaluea}/(0,0)(\@tempcntavalueb,0)%%2013/04/02
\dotorline(-50,0)(-1,0){\@tempcntavaluea}/(-40,0)(\@tempcntavalueb,0)%%2013/06/16
\else\if\@tmpb S%
\Put@Line(-50,0)(-1,0){\@tempcntavaluea}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-50,0)(-1,0){\@tempcntavaluea}%
}%
\else \Put@Line(-50,0)(-1,0){\@tempcntavaluea}%
\fi\fi\fi\fi\fi\fi%
\fi%
\putlatom{\@tempcntavalueb}{-33}{\@memberb}%==4 left substituent
\end{sfpicture}}%End of Westbond
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NEBond}
% \begin{macrocode}
\def\NEBond{%degree 120
\yl@xdiff=-9
\yl@ydiff=13
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(33,48)(5,3){121}%
\Put@Line(47,26)(5,3){121}%northeast double bond
\else\if\@tmpb T\relax%
\Put@Line(31,52)(5,3){121}%
\Put@Line(40,37)(5,3){121}%
\Put@Line(49,22)(5,3){121}%northeast triple bond
% \else\if\@tmpb A%(A) alpha
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(40,47)(5,3){121}}% single bond (alpha)
% \else\if\@tmpb B%(B) beta
\else\if\@tmpb A%(A) alpha
\dotorline(40,47)(5,3){121}/(40,47)(161,120)%
\else\if\@tmpb S%
\Put@Line(40,47)(5,3){121}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(40,47)(5,3){121}%
}%
\else \Put@Line(40,47)(5,3){121}%
\fi\fi\fi\fi\fi\fi%
\putratom{170}{107}{\@memberb}%==2 (northeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NEbond}
% \begin{macrocode}
\def\NEbond{%degree 90
\yl@xdiff=-5
\yl@ydiff=10
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(31,46)(1,1){100}%
\Put@Line(49,28)(1,1){100}%northeast double bond
\else\if\@tmpb T\relax%
\Put@Line(27,50)(1,1){100}%
\Put@Line(40,37)(1,1){100}%
\Put@Line(53,24)(1,1){100}%northeast triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(40,47)(1,1){100}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(40,47)(1,1){100}/(40,47)(140,147)%
\else\if\@tmpb S%
\Put@Line(40,47)(1,1){100}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(40,47)(1,1){100}%
}%
\else \Put@Line(40,47)(1,1){100}%
\fi\fi\fi\fi\fi\fi%
\putratom{145}{137}{\@memberb}%==2 (northeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SEBond}
% \begin{macrocode}
\def\SEBond{%degree 120
\yl@xdiff=-9
\yl@ydiff=67
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(33,-48)(5,-3){121}%
\Put@Line(47,-26)(5,-3){121}%southeast double bond
\else\if\@tmpb T\relax%
\Put@Line(31,-52)(5,-3){121}%
\Put@Line(40,-37)(5,-3){121}%
\Put@Line(49,-22)(5,-3){121}%southeast triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(40,-47)(5,-3){121}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(40,-47)(5,-3){121}/(40,-47)(161,-120)%
\else\if\@tmpb S%
\Put@Line(40,-47)(5,-3){121}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(40,-47)(5,-3){121}%
}%
\else \Put@Line(40,-47)(5,-3){121}%
\fi\fi\fi\fi\fi\fi%
\putratom{170}{-187}{\@memberb}%==2 (southeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SEbond}
% \begin{macrocode}
\def\SEbond{%degree 90
\yl@xdiff=-5
\yl@ydiff=56
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(31,-46)(1,-1){100}%
\Put@Line(49,-28)(1,-1){100}%southeast double bond
\else\if\@tmpb T\relax%
\Put@Line(27,-50)(1,-1){100}%
\Put@Line(40,-37)(1,-1){100}%
\Put@Line(53,-24)(1,-1){100}%southeast triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(53,-47)(1,-1){100}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(40,-47)(1,-1){100}/(40,-47)(140,-147)%
\else\if\@tmpb S%
\Put@Line(40,-47)(1,-1){100}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(40,-47)(1,-1){100}%
}%
\else \Put@Line(40,-47)(1,-1){100}%
\fi\fi\fi\fi\fi\fi%
\putratom{145}{-203}{\@memberb}%==3 (southeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NWBbond}
% \begin{macrocode}
\def\NWBond{%
\begin{sfpicture}(100,300)(0,0)
\yl@xdiff=9
\yl@ydiff=13
\if\@tmpb D\relax%
\Put@Line(-59,48)(-5,3){121}%
\Put@Line(-73,26)(-5,3){121}%northwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-57,52)(-5,3){121}%
\Put@Line(-66,37)(-5,3){121}%
\Put@Line(-75,22)(-5,3){121}%northwest triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(-66,47)(-5,3){121}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-66,47)(-5,3){121}/(-66,47)(-187,120)%
\else\if\@tmpb S%
\Put@Line(-66,47)(-5,3){121}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-66,47)(-5,3){121}%
}%
\else \Put@Line(-66,47)(-5,3){121}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-196}{107}{\@memberb}%==2 (northwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NWbond}
% \begin{macrocode}
\def\NWbond{%
\begin{sfpicture}(100,300)(0,0)
\yl@xdiff=13
\yl@ydiff=10
\if\@tmpb D\relax%
\Put@Line(-41,46)(-1,1){100}%
\Put@Line(-59,28)(-1,1){100}%northwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-37,50)(-1,1){100}%
\Put@Line(-50,37)(-1,1){100}%
\Put@Line(-63,24)(-1,1){100}%northwest triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(-50,47)(-1,1){100}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-50,47)(-1,1){100}/(-50,47)(-137,147)%
\else\if\@tmpb S%
\Put@Line(-50,47)(-1,1){100}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-50,47)(-1,1){100}%
}%
\else \Put@Line(-50,47)(-1,1){100}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-163}{137}{\@memberb}%==2 (northwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SWBond}
% \begin{macrocode}
\def\SWBond{%
\yl@xdiff=9
\yl@ydiff=67
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(-59,-48)(-5,-3){121}%
\Put@Line(-73,-26)(-5,-3){121}%southwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-57,-52)(-5,-3){121}%
\Put@Line(-66,-37)(-5,-3){121}%
\else\if\@tmpb B%(B) beta
\Put@Line(-75,-22)(-5,-3){121}%southwest triple bond
{\thicklines\Put@Line(-66,-47)(-5,-3){121}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-66,-47)(-5,-3){121}/(-66,-47)(-187,-120)%
\else\if\@tmpb S%
\Put@Line(-66,-47)(-5,-3){121}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-66,-47)(-5,-3){121}%
}%
\else \Put@Line(-66,-47)(-5,-3){121}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-196}{-187}{\@memberb}%==2 (southwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SWbond}
% \begin{macrocode}
\def\SWbond{%
\yl@xdiff=13
\yl@ydiff=56
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(-41,-46)(-1,-1){100}%
\Put@Line(-59,-28)(-1,-1){100}%southwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-37,-50)(-1,-1){100}%
\Put@Line(-50,-37)(-1,-1){100}%
\Put@Line(-63,-24)(-1,-1){100}%southwest triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(-50,-47)(-1,-1){100}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-50,-47)(-1,-1){100}/(-50,-47)(-137,-147)%
\else\if\@tmpb S%
\Put@Line(-50,-47)(-1,-1){100}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-50,-47)(-1,-1){100}%
}%
\else \Put@Line(-50,-47)(-1,-1){100}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-163}{-203}{\@memberb}%==3 (southwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{New command: \cs{NEBOND}}
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NEBOND}
% \begin{macrocode}
\def\NEBOND{%degree 120
\yl@xdiff=-1
\yl@ydiff=-10
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(48,33)(3,5){72}%
\Put@Line(26,47)(3,5){72}%northeast double bond
\else\if\@tmpb T\relax%
\Put@Line(52,31)(3,5){72}%
\Put@Line(37,40)(3,5){72}%
\Put@Line(22,49)(3,5){72}%northeast triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(40,47)(3,5){72}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(47,40)(3,5){72}/(47,40)(120,161)%
\else\if\@tmpb S%
\Put@Line(47,40)(3,5){72}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(47,40)(3,5){72}%
}%
\else \Put@Line(47,40)(3,5){72}%
\fi\fi\fi\fi\fi\fi%
\putratom{120}{170}{\@memberb}%==2 (northeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{New command: \cs{SEBOND}}
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SEBOND}
% \begin{macrocode}
\def\SEBOND{%degree 120
\yl@xdiff=-1
\yl@ydiff=70
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(48,-33)(3,-5){72}%
\Put@Line(26,-47)(3,-5){72}%southeast double bond
\else\if\@tmpb T\relax%
\Put@Line(52,-31)(3,-5){72}%
\Put@Line(37,-40)(3,-5){72}%
\Put@Line(22,-49)(3,-5){72}%southeast triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(47,-40)(3,-5){72}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(47,-40)(3,-5){72}/(47,-40)(120,-161)%
\else\if\@tmpb S%
\Put@Line(47,-40)(3,-5){72}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(47,-40)(3,-5){72}%
}%
\else \Put@Line(47,-40)(3,-5){72}%
\fi\fi\fi\fi\fi\fi%
\putratom{120}{-230}{\@memberb}%==2 (southeast substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{New command: \cs{NWBOND}}
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\NWBOND}
% \begin{macrocode}
\def\NWBOND{%
\yl@xdiff=1
\yl@ydiff=-10
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(-48,33)(-3,5){72}%
\Put@Line(-26,47)(-3,5){72}%northwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-52,31)(-3,5){72}%
\Put@Line(-37,40)(-3,5){72}%
\Put@Line(-22,49)(-3,5){72}%northwest triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(-40,47)(-3,5){72}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-47,40)(-3,5){72}/(-47,40)(-120,161)%
\else\if\@tmpb S%
\Put@Line(-47,40)(-3,5){72}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-47,40)(-3,5){72}%
}%
\else \Put@Line(-47,40)(-3,5){72}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-120}{170}{\@memberb}%==2 (northwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v1.02}{1998/10/20}{New command: \cs{SWBOND}}
% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\SWBOND}
% \begin{macrocode}
\def\SWBOND{%
\yl@xdiff=1
\yl@ydiff=70
\begin{sfpicture}(100,300)(0,0)
\if\@tmpb D\relax%
\Put@Line(-48,-33)(-3,-5){72}%
\Put@Line(-26,-47)(-3,-5){72}%southwest double bond
\else\if\@tmpb T\relax%
\Put@Line(-52,-31)(-3,-5){72}%
\Put@Line(-37,-40)(-3,-5){72}%
\Put@Line(-22,-49)(-3,-5){72}%southwest triple bond
\else\if\@tmpb B%(B) beta
{\thicklines\Put@Line(-47,-40)(-3,-5){72}}% single bond (alpha)
\else\if\@tmpb A%(A) alpha
\dotorline(-47,-40)(-3,-5){72}/(-47,-40)(-120,-161)%
\else\if\@tmpb S%
\Put@Line(-47,-40)(-3,-5){72}%
\else\if\@tmpb U% undefined
{%
\WaveBonds%
\Put@Line(-47,-40)(-3,-5){72}%
}%
\else \Put@Line(-47,-40)(-3,-5){72}%
\fi\fi\fi\fi\fi\fi%
\putlatom{-120}{-230}{\@memberb}%==2 (southwest substituent)
\end{sfpicture}}%
% \end{macrocode}
% \end{macro}
%
% \section{Tetrahedral unit}
%
% The macro |\tetrahedral| typesets a compound of tetravalency.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% ********************
% * tetrahedral unit *
% ********************
%
% 1
%
% |
% 2 -- 0 -- 4 0 <== the original point
% |
%
% 3
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \tetrahedral[AUXLIST]{SUBSLIST}<L1,L2,L3,L4>
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
%
% The arguments |Ln| (n = 1, 2, 3, 4) represents the bond length
% of the bond 0--n (n = 1, 2, 3, 4). This is used to realize variable
% bond lengths. The vacant for the |Ln| depicts a bond of the standard
% bond length.
% \changes{v4.01}{2004/8/30}{Variable bond length.}
%
%
% \begin{verbatim}
% e.g.
%
% \tetrahedral{1==Cl;2==F}
% \tetrahedral{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{yltetrahedralposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \changes{v4.01}{2004/8/30}{Variable sized central atoms}
% \changes{v4.05}{2009/11/07}{bug fix: @tetrahedral to @@tetrahedral}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\tetrahedral}
% \begin{macro}{\@tetrahedral}
% \begin{macrocode}
\def\tetrahedral{\@ifnextchar[{\@tetrahedral[r}{\@tetrahedral[r]}}
\def\@tetrahedral#1]#2{%
\@ifnextchar<{\@@tetrahedral#1]{#2}}{\@@tetrahedral#1]{#2}<,,,>}}%bug @ added 2009/11/07
\def\@@tetrahedral#1]#2<#3,#4,#5,#6>{%
\@reset@ylsw%
\West@bondfalse
\East@bondfalse
\centralatomcheck{#2}%
\yltetrahedralposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){tetrahedral}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{47}{50}{\scriptsize\@@tmpb}}\fi}%
%%%%%%%%%%%%%%%%%%%%%%
%setting central atom%
%%%%%%%%%%%%%%%%%%%%%%
\@tempdima=0pt
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa%central atom
\setbox9=\hbox{\@memberb}%
\ifdim\wd9<0.72em
\@tempdima=0.72em
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%
\else
\ifWest@bond
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb}}}%central atom
%%%\global\West@bondfalse
\else
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\@memberb\hss}}}%central atom
\fi\fi
\else%%no action
\fi%end of ifcase%
\fi\fi}%
%%%%%%%%%%%%%%%%%%%%%%
%%setting four bonds%%
%%%%%%%%%%%%%%%%%%%%%%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\or
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Northbond[#3]}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Northbond[#3]}%
\else
\setBScolor{\Put@Direct(0,0){\Northbond[#3]}}%
%\Put@Direct(0,0){\Northbond[#3]}%
\fi
\or{%
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Westbond[#4]}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Westbond[#4]}%
\else
\setBScolor{\Put@Direct(0,0){\Westbond[#4]}}%
%\Put@Direct(0,0){\Westbond[#4]}%
\fi
}%
\or
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Southbond[#5]}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\Southbond[#5]}%
\else
\setBScolor{\Put@Direct(0,0){\Southbond[#5]}}%
%\Put@Direct(0,0){\Southbond[#5]}%
\fi
\or{%
\ifno@centeratom%
\setBScolor{\Put@Direct(0,0){\Eastbond[#6]}}%
%\Put@Direct(0,0){\Eastbond[#6]}%
\else%
%\advance\@tempdima by-0.72em
%\Put@Direct(0,0){\kern\@tempdima\Eastbond[#6]}%
\setBScolor{\Put@Direct(0,0){\kern\@tempdima\kern-0.72em\Eastbond[#6]}}%
%\Put@Direct(0,0){\kern\@tempdima\kern-0.72em\Eastbond[#6]}%
\fi}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\West@bondfalse
\East@bondfalse
}%end of macro tetrahedral
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \changes{v4.01}{2004/8/30}{Newly added macro:
% \cs{centralatomcheck}}
%
% \begin{macro}{\centralatomcheck}
% \begin{macrocode}
\def\centralatomcheck#1{%
\no@centeratomtrue%
\@forsemicol\member:=#1\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifcase\@tmpa\relax%
\no@centeratomfalse%
\else%no action
\fi\fi%
}}
% \end{macrocode}
% \end{macro}
%
% The command |\yltetrahedralposition| is used in
% |\tetrahedral| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{yltetrahedralposition}}
% \changes{v4.01}{2004/8/30}{Newly added switches:
% \cs{ifEast@bond} and \cs{ifWest@bond}}
% \changes{v5.01}{2013/7/30}{Bug fix}
%
% \begin{macro}{\yltetrahedralposition}
% \begin{macrocode}
\newif\ifEast@bond
\newif\ifWest@bond
\def\yltetrahedralposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\reset@@yl%%2013/07/30bug fix
\West@bondfalse
\East@bondfalse
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw%
\ifcase\@tmpa%
\or%
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 1
\else%
\gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
\fi%
\or%
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%
\else%
\gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%
\fi%
\East@bondtrue%W subst. on 1
\or%
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%S subst. on 1
\else%
\gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
\fi%
\or%
\ifno@centeratom%
% \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%??????
\gdef\@ylii{-72}\gdef\@yli{0}\global\@ylswtrue%??????
\else%
\gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%
\fi%
\West@bondtrue%E subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \section{Divalenth unit}
%
% The command |\divalenth| produces a length-variable divalent unit.
% \changes{v2.00}{1998/12/14}{New command: \cs{divalenth}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{verbatim}
% ******************
% * Divalenth unit *
% ******************
%
%
%
% 1 -- (group) -- 2 0 <== the original point
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |GROUP|.
%
% \begin{verbatim}
% \divalenth{GROUP}{SUBSLIST}
% \end{verbatim}
%
% The arugument |GROUP| designates a character strings representing
% a divalent group. The locant number is fixed to be zero.
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
%
% \begin{macro}{\divalenth}
% \begin{macrocode}
\def\divalenth#1#2{%
\@reset@ylsw%
\yldivalenthposition{#1}{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,400)(-300,-200){\divalenth}%2002/4/30 by S. Fujita
(300,200)%
{\expandafter\@m@mb@r#1;\relax
\putratom{-30}{-33}{\@memberb}}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\or\setBScolor{\Put@Direct(0,0){\Westbond}}%
%\Put@Direct(0,0){\Westbond}%
\or\setBScolor{\Put@Direct(\the\@tempcnta,0){\Eastbond}}%
%\Put@Direct(\the\@tempcnta,0){\Eastbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro tetrahedral
% \end{macrocode}
% \end{macro}
%
% The command |\yldivalenthposition| is used in
% |\tetrahedral| to adjust a substitution position.
% \changes{v2.00}{1998/12/14}{Newly added command:
% \cs{yldivalenthposition}}
%
% \begin{macro}{\yldivalenthposition}
% \begin{macrocode}
\def\yldivalenthposition#1#2{%
{\expandafter\@m@mb@r#1;\relax
\setbox0=\hbox{\@memberb}%
\@tempcnta=\wd0
\@tempcntb=\unitlength
\divide\@tempcnta by\@tempcntb
\global\advance\@tempcnta by-62%
\@tempcntb=\@tempcnta \global\advance\@tempcntb by50\relax
}%
\@@ylswfalse%
\@forsemicol\member:=#2\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{50}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\or \edef\@ylii{-\the\@tempcntb}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \section{Trigonal unit}
% \subsection{Right-hand trigonal unit (narrow type)}
%
% The macro |\rtrigonal| typesets a compound of trivalency.
% The following numbering is adopted in this macro.
% The two right-hand bonds form an angle of 90$^{\circ}$ (narrow type),
% while the left-hand bond is typeset horizontally.
%
% \begin{verbatim}
% *************************
% * trigonal unit (right) *
% *************************
%
% 3
% /
% /
% 1 --- 0 90 0 <== the original point
% `
% `
% 2
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \rtrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \rtrigonal{1==Cl;2==F}
% \rtrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
%
% \changes{v1.02}{1998/10/31}{Adding \cs{ylrtrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\rtrigonal}
% \begin{macro}{\@rtrigonal}
% \begin{macrocode}
\def\rtrigonal{\@ifnextchar[{\@rtrigonal[r}{\@rtrigonal[r]}}
\def\@rtrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\West@bondfalse
\East@bondfalse
\ylrtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){rtrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Westbond}}%
%\Put@Direct(0,0){\Westbond}%
\or\setBScolor{\Put@Direct(0,0){\SEbond}}%
%\Put@Direct(0,0){\SEbond}%
\or\setBScolor{\Put@Direct(0,0){\NEbond}}%
%\Put@Direct(0,0){\NEbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro rtrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylrtrigonalposition| is used in
% |\rtrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylrtrigonalposition}}
%
% \begin{macro}{\ylrtrigonalposition}
% \begin{macrocode}
\def\ylrtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Right-hand trigonal unit (broad type)}
%
% The macro |\Rtrigonal| typesets a compound of trivalency.
% The following numbering is adopted in this macro.
% The two right-hand bonds form an angle of 120$^{\circ}$ (broad type),
% while the left-hand bond is typeset horizontally.
% \changes{v1.02}{1998/10/20}{New command: \cs{Rtrigonal}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{verbatim}
% *************************
% * trigonal unit (right) *
% *************************
%
% 3
% /
% /
% 1 --- 0 120 0 <== the original point
% `
% `
% 2
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \rtrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \rtrigonal{1==Cl;2==F}
% \rtrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
%
% \changes{v1.02}{1998/10/31}{Adding \cs{ylRtrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
%
% \begin{macro}{\Rtrigonal}
% \begin{macro}{\@Rtrigonal}
% \begin{macrocode}
\def\Rtrigonal{\@ifnextchar[{\@Rtrigonal[r}{\@Rtrigonal[r]}}
\def\@Rtrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\West@bondfalse
\East@bondfalse
\ylRtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){Rtrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Westbond}}%
%\Put@Direct(0,0){\Westbond}%
\or\setBScolor{\Put@Direct(0,0){\SEBOND}}%
%\Put@Direct(0,0){\SEBOND}%
\or\setBScolor{\Put@Direct(0,0){\NEBOND}}%
%\Put@Direct(0,0){\NEBOND}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro Rtrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylRtrigonalposition| is used in
% |\Rtrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylRtrigonalposition}}
%
% \begin{macro}{\ylRtrigonalposition}
% \begin{macrocode}
\def\ylRtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
\or \gdef\@ylii{-47}\gdef\@yli{40}\global\@ylswtrue% SE subst. on 1
\or \gdef\@ylii{-47}\gdef\@yli{-40}\global\@ylswtrue% NE subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Left-hand trigonal unit (narrow type)}
%
% The macro |\ltrigonal| typesets a compound of trivalency.
% The following numbering is adopted in this macro.
% The two left-hand bonds form an angle of 90$^{\circ}$ (narrow type),
% while the right-hand bond is typeset horizontally.
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{verbatim}
% ************************
% * trigonal unit (left) *
% ************************
%
% 2
% `
% `
% 90 0 --- 1 0 <== the original point
% /
% /
% 3
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \ltrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \ltrigonal{1==Cl;2==F}
% \ltrigonal{0==C;1==Cl;2==F;3==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylltrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v4.01}{2004/8/30}{Variable sized central atoms}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\ltrigonal}
% \begin{macro}{\@ltrigonal}
% \begin{macrocode}
\def\ltrigonal{\@ifnextchar[{\@ltrigonal[r}{\@ltrigonal[r]}}
\def\@ltrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\West@bondfalse
\East@bondfalse
\ylltrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){ltrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@tempdima=0pt
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\setbox9=\hbox{\@memberb}%
\ifdim\wd9<0.72em
\@tempdima=0.72em
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%central atom
\else
\ifWest@bond
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb}}}%central atom
\else
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\@memberb\hss}}}%central atom
\fi\fi
\else%%no action
\fi%end of ifcase
\fi\fi}%
%%%%%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\or{%
\advance\@tempdima by-0.72em
\setBScolor{\Put@Direct(0,0){\kern\@tempdima\Eastbond}}}%
%\Put@Direct(0,0){\kern\@tempdima\Eastbond}}%
\or{%
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\NWbond}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\NWbond}%
\else
\setBScolor{\Put@Direct(0,0){\NWbond}}%
%\Put@Direct(0,0){\NWbond}%
\fi
}%
\or{%
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\SWbond}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\SWbond}%
\else
\setBScolor{\Put@Direct(0,0){\SWbond}}%
%\Put@Direct(0,0){\SWbond}%
\fi
}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\West@bondfalse
\East@bondfalse
\endgroup}%end of macro ltrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylltrigonalposition| is used in
% |\ltrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylltrigonalposition}}
% \changes{v4.01}{2004/8/30}{Newly added switch:
% \cs{ifWest@bond}}
%
% \begin{macro}{\ylltrigonalposition}
% \begin{macrocode}
\def\ylltrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% E subst. on 1
\West@bondtrue%
\or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Left-hand trigonal unit (broad type)}
%
% The macro |\Ltrigonal| typesets a compound of trivalency.
% The following numbering is adopted in this macro.
% The two left-hand bonds form an angle of 120$^{\circ}$ (broad type),
% while the right-hand bond is typeset horizontally.
% \changes{v1.02}{1998/10/20}{New command: \cs{Ltrigonal}}
%
% \begin{verbatim}
% ************************
% * trigonal unit (left) *
% ************************
%
% 2
% `
% `
% 120 0 --- 1 0 <== the original point
% /
% /
% 3
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \Ltrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \Ltrigonal{1==Cl;2==F}
% \Ltrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylLtrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v4.01}{2004/8/30}{Variable sized central atoms}
% \changes{v4.01}{2004/8/30}{Newly added switch:
% \cs{ifWest@bond}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\Ltrigonal}
% \begin{macro}{\@Ltrigonal}
% \begin{macrocode}
\def\Ltrigonal{\@ifnextchar[{\@Ltrigonal[r}{\@Ltrigonal[r]}}
\def\@Ltrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\West@bondfalse
\East@bondfalse
\ylLtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){Ltrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@tempdima=0pt
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\setbox9=\hbox{\@memberb}%
\ifdim\wd9<0.72em
\@tempdima=0.72em
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%central atom
\else
\ifWest@bond
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb}}}%central atom
%%%%\global\West@bondfalse
\else
\@tempdima=\wd9
{\putlratom{-40}{-33}{\hbox to.72em{\@memberb\hss}}}%central atom
\fi\fi
\else%%no action
\fi%end of ifcase
\fi\fi}%
%%%%%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
\or{%
\advance\@tempdima by-0.72em
\setBScolor{\Put@Direct(0,0){\kern\@tempdima\Eastbond}}}%
%\Put@Direct(0,0){\kern\@tempdima\Eastbond}}%
\or{%
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\NWBOND}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\NWBOND}%
\else
\setBScolor{\Put@Direct(0,0){\NWBOND}}%
%\Put@Direct(0,0){\NWBOND}%
\fi
}%
\or{%
\ifWest@bond
\setBScolor{\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\SWBOND}}%
%\Put@Direct(0,0){\kern-\@tempdima\kern0.72em\SWBOND}%
\else
\setBScolor{\Put@Direct(0,0){\SWBOND}}%
%\Put@Direct(0,0){\SWBOND}%
\fi
}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\West@bondfalse
\East@bondfalse
\endgroup}%end of macro Ltrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylLtrigonalposition| is used in
% |\Ltrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylLtrigonalposition}}
%
% \begin{macro}{\ylLtrigonalposition}
% \begin{macrocode}
\def\ylLtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% E subst. on 1
\West@bondtrue%
\or \gdef\@ylii{47}\gdef\@yli{-40}\global\@ylswtrue% NWB subst. on 1
\or \gdef\@ylii{47}\gdef\@yli{40}\global\@ylswtrue% SWB subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Upward trigonal unit (narrow type)}
%
% The macro |\utrigonal| typesets a compound of trivalency.
% The two upward bonds form an angle of 90$^{\circ}$ (narrow type),
% while the downward bond is typeset vertically.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% **********************
% * trigonal unit (up) *
% **********************
%
% The following numbering is adopted in this macro.
%
% 3 . 2
% ` 90 /
% ` /
% 0 0 <== the original point
% |
% |
% 1
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \utrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \utrigonal{1==Cl;2==F}
% \utrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\utrigonal}
% \begin{macro}{\@utrigonal}
% \begin{macrocode}
\def\utrigonal{\@ifnextchar[{\@utrigonal[r}{\@utrigonal[r]}}
\def\@utrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%2013/04/01 added
\ylutrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){utrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
{\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Southbond}}%
%\Put@Direct(0,0){\Southbond}%
\or\setBScolor{\Put@Direct(0,0){\NEbond}}%
%\Put@Direct(0,0){\NEbond}%
\or\setBScolor{\Put@Direct(0,0){\NWbond}}%
%\Put@Direct(0,0){\NWbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro utrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylutrigonalposition| is used in
% |\utrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylutrigonalposition}}
%
% \begin{macro}{\ylutrigonalposition}
% \begin{macrocode}
\def\ylutrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Upward trigonal unit (broad type)}
%
% The macro |\Utrigonal| typesets a compound of trivalency.
% The two upward bonds form an angle of 120$^{\circ}$ (broad type),
% while the downward bond is typeset vertically.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% **********************
% * trigonal unit (up) *
% **********************
%
% 3 2
% ` 120 /
% ` /
% 0 0 <== the original point
% |
% |
% 1
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \Utrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \Utrigonal{1==Cl;2==F}
% \Utrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\Utrigonal}
% \begin{macro}{\@Utrigonal}
% \begin{macrocode}
\def\Utrigonal{\@ifnextchar[{\@Utrigonal[r}{\@Utrigonal[r]}}
\def\@Utrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\ylUtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){Utrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
{\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Southbond}}%
%\Put@Direct(0,0){\Southbond}%
\or\setBScolor{\Put@Direct(0,0){\NEBond}}%
%\Put@Direct(0,0){\NEBond}%
\or\setBScolor{\Put@Direct(0,0){\NWBond}}%
%\Put@Direct(0,0){\NWBond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro Utrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylUtrigonalposition| is used in
% |\Utrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylUtrigonalposition}}
%
% \begin{macro}{\ylUtrigonalposition}
% \begin{macrocode}
\def\ylUtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NEB subst. on 1
\or \gdef\@ylii{66}\gdef\@yli{-47}\global\@ylswtrue% NWB subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Downward trigonal unit (narrow type)}
%
% The macro |\dtrigonal| typesets a compound of trivalency.
% The upward bond is typeset vertically.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% ************************
% * trigonal unit (down) *
% ************************
%
% The following numbering is adopted in this macro.
%
% 1
% |
% |
% 0 0 <== the original point
% / `
% / 90 `
% 2 3
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \dtrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \dtrigonal{1==Cl;2==F}
% \dtrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{yldtrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\dtrigonal}
% \begin{macro}{\@dtrigonal}
% \begin{macrocode}
\def\dtrigonal{\@ifnextchar[{\@dtrigonal[r}{\@dtrigonal[r]}}
\def\@dtrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\yldtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){dtrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
{\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Northbond}}%
%\Put@Direct(0,0){\Northbond}%
\or\setBScolor{\Put@Direct(0,0){\SEbond}}%
%\Put@Direct(0,0){\SEbond}%
\or\setBScolor{\Put@Direct(0,0){\SWbond}}%
%\Put@Direct(0,0){\SWbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro dtrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\yldtrigonalposition| is used in
% |\dtrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{yldtrigonalposition}}
%
% \begin{macro}{\yldtrigonalposition}
% \begin{macrocode}
\def\yldtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Downward trigonal unit (broad type)}
%
% The macro |\Dtrigonal| typesets a compound of trivalency.
% The upward bond is typeset vertically.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% ************************
% * trigonal unit (down) *
% ************************
%
% The following numbering is adopted in this macro.
%
% 1
% |
% |
% 0 0 <== the original point
% / `
% / 120 `
% 2 3
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \Dtrigonal[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 3
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \Dtrigonal{1==Cl;2==F}
% \Dtrigonal{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylDtrigonalposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\Dtrigonal}
% \begin{macro}{\@Dtrigonal}
% \begin{macrocode}
\def\Dtrigonal{\@ifnextchar[{\@Dtrigonal[r}{\@Dtrigonal[r]}}
\def\@Dtrigonal#1]#2{%
\begingroup
\@reset@ylsw%
\ylDtrigonalposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){Dtrigonal}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa
{\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\Northbond}}%
%\Put@Direct(0,0){\Northbond}%
\or\setBScolor{\Put@Direct(0,0){\SEBond}}%
%\Put@Direct(0,0){\SEBond}%
\or\setBScolor{\Put@Direct(0,0){\SWBond}}%
%\Put@Direct(0,0){\SWBond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
\endgroup}%end of macro Dtrigonal
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylDtrigonalposition| is used in
% |\Dtrigonal| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylDtrigonalposition}}
%
% \begin{macro}{\ylDtrigonalposition}
% \begin{macrocode}
\def\ylDtrigonalposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SEB subst. on 1
\or \gdef\@ylii{66}\gdef\@yli{47}\global\@ylswtrue% SWB subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \section{Ethylene derivative}
% \subsection{Horizontal ethylene unit (narrow type)}
%
% The macro |\ethylene| typesets ethylene derivatives.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% *****************
% * ethylene unit *
% *****************
%
% 1 4
% ` /
% ` /
% 90 (1)===(2) 90 (1) <== the original point
% / `
% / `
% 2 3
% \end{verbatim}
%
% \begin{verbatim}
% \ethylene[BONDLIST]{ATOMLIST}{SUBSLIST}
% \end{verbatim}
%
% The arugument |BONDLIST| designates the bond between atom (1) and
% atom (2) as well as charges on these centeral atoms.
%
% \begin{verbatim}
% BONDLIST: list of inner bonds and charges
%
% {n+} : + charge (or another one chararacter) on n-atom
% d : inner double bond (between (1) and (2))
% t : inner triple bond (between (1) and (2))
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
% \end{verbatim}
%
% The arugument |ATOMLIST| designates the list of central atoms.
%
% \begin{verbatim}
% ATOMLIST: list of central atoms
% n : atom for n-position (e.g. 1==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \ethylene{}{1==Cl;2==F}
% \ethylene{}{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona},
% \cs{ylethylenepositionb},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\ethylene}
% \begin{macro}{\@ethylene}
% \begin{macrocode}
\def\ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}}
\def\@ethylene[#1]#2#3{%
\@reset@ylsw%
\ylethylenepositiona{#3}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\else
\ylethylenepositionb{#3}%
\fi
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{-230}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(800,600)(-300,-300){ethylene}%2002/4/30 by S. Fujita
(300,300)%
{\def\aaa{#1}\ifx\aaa\empty%
% \Multiput@Direct(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond
\Multiput@Direct(42,-13)(0,25){2}{\Put@Line(0,0)(1,0){140}}\fi%2010/10/01
}%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}%
\else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}%
\else\if\@@tmpa d\relax%
% {\Multiput@Direct(42,-13)(0,25){2}{\line(1,0){140}}}% double bond
{\Multiput@Direct(42,-13)(0,25){2}{\Put@Line(0,0)(1,0){140}}}%2010/10/01
\else\if\@@tmpa t\relax%
% {\Multiput@Direct(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right
{\Multiput@Direct(42,-20)(0,20){3}{\Put@Line(0,0)(1,0){140}}}%2010/10/01
\fi\fi\fi\fi}%
{\def\aaa{#2}%
\ifx\aaa\empty%
\putratom{-40}{-33}{C}%central atom
\putratom{190}{-33}{C}%central atom
\else%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa%
\or\putratom{-40}{-33}{\@memberb}%central atom
\or\putratom{190}{-33}{\@memberb}%central atom
\fi\fi}%end of ifcase
\fi%
}%
\@forsemicol\member:=#3\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa%
\or\setBScolor{\Put@Direct(0,0){\NWbond}}%
%\Put@Direct(0,0){\NWbond}%
\or\setBScolor{\Put@Direct(0,0){\SWbond}}%
%\Put@Direct(0,0){\SWbond}%
\or\setBScolor{\Put@Direct(230,0){\SEbond}}%
%\Put@Direct(230,0){\SEbond}%
\or\setBScolor{\Put@Direct(230,0){\NEbond}}%
%\Put@Direct(230,0){\NEbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro ethylene
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \begin{macro}{\ethyleneh}
% \begin{macrocode}
\let\ethyleneh=\ethylene
% \end{macrocode}
% \end{macro}
%
% The commands |\ylethylenepositiona| and |\ylethylenepositiona|
% are used in |\ethylene| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylethylenepositiona} and \cs{ylethylenepositionb}}
%
% \begin{macro}{\ylethylenepositiona}
% \begin{macro}{\ylethylenepositionb}
% \begin{macrocode}
\def\ylethylenepositiona#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
\def\ylethylenepositionb#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or%omit
\or%omit
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \subsection{Horizontal ethylene unit (broad type)}
%
% The macro |\Ethylene| typesets ethylene derivatives.
% The following numbering is adopted in this macro.
% \changes{v1.02}{1998/10/20}{New command: \cs{Ethylene}}
%
% \begin{verbatim}
% *****************
% * ethylene unit *
% *****************
%
% 1 4
% ` /
% ` /
% 120 (1)===(2) 120 (1) <== the original point
% / `
% / `
% 2 3
% \end{verbatim}
%
% \begin{verbatim}
% \Ethylene[BONDLIST]{ATOMLIST}{SUBSLIST}
% \end{verbatim}
%
% The arugument |BONDLIST| designates the bond between atom (1) and
% atom (2) as well as charges on these centeral atoms.
%
% \begin{verbatim}
% BONDLIST: list of inner bonds and charges
%
% {n+} : + charge (or another one chararacter) on n-atom
% d : inner double bond (between (1) and (2))
% t : inner triple bond (between (1) and (2))
% \end{verbatim}
%
% The arugument |SUBLIST| designates a set of substitutients.
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
% \end{verbatim}
%
% The arugument |ATOMLIST| designates the list of central atoms.
%
% \begin{verbatim}
% ATOMLIST: list of central atoms
% n : atom for n-position (e.g. 1==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \Ethylene{}{1==Cl;2==F}
% \Ethylene{}{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona},
% \cs{ylethylenepositionb},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\Ethylene}
% \begin{macro}{\@Ethylene}
% \begin{macrocode}
\def\Ethylene{\@ifnextchar[{\@Ethylene}{\@Ethylene[]}}%bug \@ethylene --> \@Ethylene
\def\@Ethylene[#1]#2#3{%
\@reset@ylsw%
\ylethylenepositiona{#3}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\else
\ylethylenepositionb{#3}%
\fi
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{-230}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(800,600)(-300,-300){Ethylene}%2002/4/30 by S. Fujita
(300,300)%
{\def\aaa{#1}\ifx\aaa\empty%
% \Multiput@Direct(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond
\Multiput@Direct(42,-13)(0,25){2}{\Put@Line(0,0)(1,0){140}}\fi%2010/10/01
}%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}%
\else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}%
\else\if\@@tmpa d\relax%
% {\Multiput@Direct(42,-13)(0,25){2}{\line(1,0){140}}}% double bond
{\Multiput@Direct(42,-13)(0,25){2}{\Put@Line(0,0)(1,0){140}}}%2010/10/01
\else\if\@@tmpa t\relax%
% {\Multiput@Direct(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right
{\Multiput@Direct(42,-20)(0,20){3}{\Put@Line(0,0)(1,0){140}}}%2010/10/01
\fi\fi\fi\fi}%
{\def\aaa{#2}%
\ifx\aaa\empty%
\putratom{-40}{-33}{C}%central atom
\putratom{190}{-33}{C}%central atom
\else%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa%
\or\putratom{-40}{-33}{\@memberb}%central atom
\or\putratom{190}{-33}{\@memberb}%central atom
\fi\fi}%end of ifcase
\fi%
}%
\@forsemicol\member:=#3\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa%
\or\setBScolor{\Put@Direct(0,0){\NWBOND}}%
%\Put@Direct(0,0){\NWBOND}%
\or\setBScolor{\Put@Direct(0,0){\SWBOND}}%
%\Put@Direct(0,0){\SWBOND}%
\or\setBScolor{\Put@Direct(230,0){\SEBOND}}%
%\Put@Direct(230,0){\SEBOND}%
\or\Put@Direct(230,0){\NEBOND}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro Ethylene
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \begin{macro}{\Ethyleneh}
% \begin{macrocode}
\let\Ethyleneh=\Ethylene
% \end{macrocode}
% \end{macro}
%
% \subsection{Vertical ethylene unit (narrow type)}
%
% The macro |\ethylenev| typesets ethylene derivatives in a
% vatical manner.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% ****************************
% * ethylene unit (vertical) *
% ****************************
%
% The following numbering is adopted in this macro.
%
% 4 3
% ` 90 /
% ` /
% (2)
% ||
% ||
% (1) <== the original point
% / `
% / 90 `
% 1 2
%
% \end{verbatim}
%
% \begin{verbatim}
% \ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST}
% \end{verbatim}
%
% \begin{verbatim}
% BONDLIST: list of inner bonds and charges
%
% {n+} : + charge (or another one chararacter) on n-atom
% d : inner double bond (between (1) and (2))
% t : inner triple bond (between (1) and (2))
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
% \end{verbatim}
%
% \begin{verbatim}
% ATOMLIST: list of central atoms
% n : atom for n-position (e.g. 1==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \ethylenev{1==Cl;2==F}
% \ethylenev{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona},
% \cs{ylethylenevpositionb},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\ethylenev}
% \begin{macro}{\@ethylenev}
% \begin{macrocode}
\def\ethylenev{\@ifnextchar[{\@ethylenev}{\@ethylenev[]}}
\def\@ethylenev[#1]#2#3{%
\@reset@ylsw%
\ylethylenevpositiona{#3}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\else
\ylethylenevpositionb{#3}%
\fi
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{-230}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,800)(-300,-300){ethylenev}%2002/4/30 by S. Fujita
(300,300)%
\def\aaa{#1}\ifx\aaa\empty%
\Put@Line(-20,47)(0,1){140}% vertical
\Put@Line(6,47)(0,1){140}\fi% double bond
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb}
\else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb}
\else\if\@@tmpa d\relax%
\Put@Line(-13,47)(0,1){140}% vertical
\Put@Line(13,47)(0,1){140}% double bond
\else\if\@@tmpa t\relax%
\Put@Line(-20,47)(0,1){140}% vertical
\Put@Line(-0,47)(0,1){140}% triple bond
\Put@Line(20,47)(0,1){140}%
\fi\fi\fi\fi}%
\def\aaa{#2}%
\ifx\aaa\empty%
\putratom{-40}{-33}{C}%central atom
\putratom{-40}{197}{C}%central atom
\else%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa%
\or\putratom{-40}{-33}{\@memberb}%central atom
\or\putratom{-40}{197}{\@memberb}%central atom
\fi\fi}%end of ifcase
\fi%
\@forsemicol\member:=#3\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa%
\or\setBScolor{\Put@Direct(0,0){\SWbond}}%
%\Put@Direct(0,0){\SWbond}%
\or\setBScolor{\Put@Direct(0,0){\SEbond}}%
%\Put@Direct(0,0){\SEbond}%
\or\setBScolor{\Put@Direct(0,230){\NEbond}}%
%\Put@Direct(0,230){\NEbond}%
\or\setBScolor{\Put@Direct(0,230){\NWbond}}%
%\Put@Direct(0,230){\NWbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro ethylenev
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The commands |\ylethylenevpositiona| and |\ylethylenevpositiona|
% are used in |\ethylenev| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command:
% \cs{ylethylenevpositiona} and \cs{ylethylenevpositionb}}
%
% \begin{macro}{\ylethylenepositiona}
% \begin{macro}{\ylethylenepositionb}
% \begin{macrocode}
\def\ylethylenevpositiona#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
\def\ylethylenevpositionb#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or%omit
\or%omit
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \subsection{Vertical ethylene unit (broad type)}
%
% The macro |\Ethylenev| typesets ethylene derivatives in a
% vatical manner.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% ****************************
% * ethylene unit (vertical) *
% ****************************
%
% 4 3
% ` 120 /
% ` /
% (2)
% ||
% ||
% (1) <== the original point
% / `
% / 120 `
% 1 2
% \end{verbatim}
%
% \begin{verbatim}
% \Ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST}
% \end{verbatim}
%
% \begin{verbatim}
% BONDLIST: list of inner bonds and charges
%
% {n+} : + charge (or another one chararacter) on n-atom
% d : inner double bond (between (1) and (2))
% t : inner triple bond (between (1) and (2))
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
% \end{verbatim}
%
% \begin{verbatim}
% ATOMLIST: list of central atoms
% n : atom for n-position (e.g. 1==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \Ethylenev{1==Cl;2==F}
% \Ethylenev{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona},
% \cs{ylethylenevpositionb},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\Ethylenev}
% \begin{macro}{\@Ethylenev}
% \begin{macrocode}
\def\Ethylenev{\@ifnextchar[{\@Ethylenev}{\@Ethylenev[]}}
\def\@Ethylenev[#1]#2#3{%
\@reset@ylsw%
\ylethylenevpositiona{#3}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\else
\ylethylenevpositionb{#3}%
\fi
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{-230}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,800)(-300,-300){Ethylenev}%2002/4/30 by S. Fujita
(300,300)%
\def\aaa{#1}\ifx\aaa\empty%
\Put@Line(-20,47)(0,1){140}% vertical
\Put@Line(6,47)(0,1){140}\fi% double bond
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb}
\else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb}
\else\if\@@tmpa d\relax%
\Put@Line(-13,47)(0,1){140}% vertical
\Put@Line(13,47)(0,1){140}% double bond
\else\if\@@tmpa t\relax%
\Put@Line(-20,47)(0,1){140}% vertical
\Put@Line(-0,47)(0,1){140}% triple bond
\Put@Line(20,47)(0,1){140}%
\fi\fi\fi\fi}%
\def\aaa{#2}%
\ifx\aaa\empty%
\putratom{-40}{-33}{C}%central atom
\putratom{-40}{197}{C}%central atom
\else%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa%
\or\putratom{-40}{-33}{\@memberb}%central atom
\or\putratom{-40}{197}{\@memberb}%central atom
\fi\fi}%end of ifcase
\fi%
\@forsemicol\member:=#3\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa%
\or\setBScolor{\Put@Direct(0,0){\SWBond}}%
%\Put@Direct(0,0){\SWBond}%
\or\setBScolor{\Put@Direct(0,0){\SEBond}}%
%\Put@Direct(0,0){\SEBond}%
\or\setBScolor{\Put@Direct(0,230){\NEBond}}%
%\Put@Direct(0,230){\NEBond}%
\or\setBScolor{\Put@Direct(0,230){\NWBond}}%
%\Put@Direct(0,230){\NWBond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro Ethylenev
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \section{Square unit}
%
% The macro |\square| typesets a compound of tetravalency.
% The following numbering is adopted in this macro.
%
% Because |\square| is defined in the present LaTeX2e,
% the command |\squarecomplex| is newly defined.
%
% \changes{v4.02a}{2004/12/27}{Bug fix: \cs{square} to \cs{squarecomplex}}
%
% The command |\square| is renamed to be |\squareplanar|. The code is entirely replaced.
%
% \changes{v4.05}{2009/11/08}{Bug fix: \cs{square} to \cs{squareplanar}}
%
% \begin{verbatim}
% ***************
% * square unit *
% ***************
%
% The following numbering is adopted in this macro.
%
% 4 1
% ` /
% ` /
% (0) <== the original point
% / `
% / `
% 3 2
%
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \squareplanar[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+}: + charge (or another one chararacter) on the center
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% nT : triple bond at n-atom
% nD : double bond at n-atom
% n or nS : single bond at n-atom
% nA : alpha single bond at n-atom
% nB : beta single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \squareplanar{0==C;1==Cl;2==F}
% \squareplanar{0==C;1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v1.02}{1998/10/31}{Adding \cs{ylsquareposition},
% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii},
% \cs{yl@xdiff} and \cs{yl@ydiff}}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\squareplanar}
% \begin{macro}{\@squareplanar}
% \begin{macrocode}
\def\squareplanar{\@ifnextchar[{\@squareplanar[r}{\@squareplanar[r]}}
\def\@squareplanar#1]#2{%
\@reset@ylsw%
\ylsquareposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){square}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{37}{0}{\scriptsize\@@tmpb}}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\Put@Direct(0,0){\NEbond}}%
%\Put@Direct(0,0){\NEbond}%
\or\setBScolor{\Put@Direct(0,0){\SEbond}}%
%\Put@Direct(0,0){\SEbond}%
\or\setBScolor{\Put@Direct(0,0){\SWbond}}%
%\Put@Direct(0,0){\SWbond}%
\or\setBScolor{\Put@Direct(0,0){\NWbond}}%
%\Put@Direct(0,0){\NWbond}%
\fi%end of ifcase
\fi\fi}%
\end{ShiftPicEnvB}%
}%end of macro squareplanar
\let\squarecomplex=\squareplanar
\let\square=\squarplanar%combatible to the old version (<4.04)
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The commands |\ylsquarepositiona| and |\ylsquarepositiona|
% are used in |\square| to adjust a substitution position.
% \changes{v1.02}{1998/10/20}{Newly added command: \cs{ylsquareposition}}
% \changes{v5.01}{2013/07/30}{Bug fix}
%
% \begin{macro}{\ylsquareposition}
% \begin{macrocode}
\def\ylsquareposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\reset@@yl%%2013/07/30bug fix
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa
\or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
\or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
\or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \section{Ball-stick models}
% \subsection{Tetrahedral unit of stereo type}
%
% The macro |\tetrastereo| typesets a tetrahedral unit in a
% ball-stick fashion.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% *****************************
% * tetrahedral unit (stereo) *
% *****************************
%
% The following numbering is adopted in this macro.
%
% 1
%
% |
% 2 -- 0 -- 4 0 <== the original point
% |
%
% 3
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \tetrastereo[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% n : single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \tetrastereo{1==Cl;2==F}
% \tetrastereo{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\tetrastereo}
% \begin{macro}{\@tetrastero}
% \begin{macrocode}
\def\tetrastereo{\@ifnextchar[{\@tetrastereo[r}{\@tetrastereo[r]}}
\def\@tetrastereo#1]#2{%
\begin{sfpicture}(600,600)(-300,-300)
\OrigptOutput(300,300){tetrastereo}
\Put@oCircle(0,0){200}%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
\or%
\setBScolor{\Put@Line(0,100)(0,1){70}}% behind
% \Put@Line(0,100)(0,1){70}% behind
\putlratom{-30}{180}{\@memberb}% and up
\or%
{\thicklines%
\setBScolor{\Put@Line(-60,10)(-5,2){140}}% in front
% \Put@Line(-60,10)(-5,2){140}% in front
\putlatom{-205}{30}{\@memberb}}% and left
\or%
\setBScolor{\Put@Line(0,-100)(0,-1){90}}% behind and
% \Put@Line(0,-100)(0,-1){90}% behind and
\putlratom{-30}{-260}{\@memberb}% down
\or%
{\thicklines%
\setBScolor{\Put@Line(60,10)(5,2){140}}% in front
% \Put@Line(60,10)(5,2){140}% in front
\putratom{210}{30}{\@memberb}}% and right
\fi\fi}%end of ifcase
\end{sfpicture}}%end of macro tetrastereo
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \subsection{Tetrahedral unit of inverse stereo type}
%
% The macro |\dtetrastereo| typesets another tetrahedral unit in a
% ball-stick fashion.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% *****************************
% * tetrahedral unit (stereo) *
% *****************************
%
% The following numbering is adopted in this macro.
%
% 1
%
% |
% 2 -- 0 -- 4 0 <== the original point
% |
%
% 3
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \dtetrastereo[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% n : single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \dtetrastereo{1==Cl;2==F}
% \dtetrastereo{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\dtetrastereo}
% \begin{macro}{\@dtetrastereo}
% \begin{macrocode}
\def\dtetrastereo{\@ifnextchar[{\@dtetrastereo[r}{\@dtetrastereo[r]}}
\def\@dtetrastereo#1]#2{%
\begin{sfpicture}(600,600)(-300,-300)
\OrigptOutput(300,300){dtetrastereo}
\Put@oCircle(0,0){200}%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
\or%
\setBScolor{\Put@Line(0,100)(0,1){70}}% behind
% \Put@Line(0,100)(0,1){70}% behind
\putlratom{-30}{180}{\@memberb}% and up
\or%
\setBScolor{\Put@Line(-94,-10)(-5,-2){108}}% in back
% \Put@Line(-94,-10)(-5,-2){108}% in back
\putlatom{-205}{-110}{\@memberb}% and left
\or%
{\thicklines%
\setBScolor{\Put@Line(0,-50)(0,-1){150}}% behind and
% \Put@Line(0,-50)(0,-1){150}% behind and
\putlratom{-30}{-260}{\@memberb}}% down
\or%
\setBScolor{\Put@Line(94,-10)(5,-2){108}}% in back
% \Put@Line(94,-10)(5,-2){108}% in back
\putratom{210}{-110}{\@memberb}% and right
\fi\fi}%end of ifcase
\end{sfpicture}}%end of macro dtetrastereo
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% \subsection{Ethane unit of stereo type}
%
% The macro |\ethanestereo| typesets an ethane molecule in a
% ball-stick fashion.
% The following numbering is adopted in this macro.
%
% \begin{verbatim}
% **************************
% * ethane unit (vertical) *
% **************************
%
% 5
% |
% 6 -- (2) -- 4
% |
% |
% 1 -- (1) -- 3 <== the original point
% |
% 2
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \ethanestereo[AUXLIST]{ATOMLIST}{SUBSLIST}
% \end{verbatim}
%
% \begin{verbatim}
% AUXLIST: list of charges
%
% {n+} : + charge (or another one chararacter) on n-atom
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 6
%
% n : single bond at n-atom
%
% \end{verbatim}
%
% \begin{verbatim}
% ATOMLIST: list of central atoms
%
% n : atom for n-position (e.g. 1==C)
%
% \end{verbatim}
%
% \begin{verbatim}
% e.g.
%
% \ethanestereo{1==Cl;2==F}
% \ethanestereo{1==C;2==C}{1==Cl;4==F;2==CH$_{3}$}
% \end{verbatim}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\ethanestereo}
% \begin{macro}{\@ethanestereo}
% \begin{macrocode}
\def\ethanestereo{\@ifnextchar[{\@ethanestereo}{\@ethanestereo[]}}
\def\@ethanestereo[#1]#2#3{%
\begin{sfpicture}(600,800)(-300,-300)
\OrigptOutput(300,300){ethanestereo}
\Put@oCircle(0,0){200}%
\Put@oCircle(0,270){200}%
\Put@Line(0,100)(0,1){70}% central bond
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 1\relax \putratom{87}{90}{\scriptsize\@@tmpb}
\else\if\@@tmpa 2\relax \putratom{87}{360}{\scriptsize\@@tmpb}
\fi\fi}%
\def\aaa{#2}%
\ifx\aaa\empty\else%
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa%
\or\putratom{-40}{-33}{\@memberb}%central atom
\or\putratom{-40}{237}{\@memberb}%central atom
\fi\fi}%end of ifcase
\fi%
\@forsemicol\member:=#3\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
\or%
\setBScolor{\Put@Line(-94,-10)(-5,-2){108}}% in back
% \Put@Line(-94,-10)(-5,-2){108}% in back
\putlatom{-205}{-110}{\@memberb}% and left
\or%
{\thicklines%
\setBScolor{\Put@Line(0,-50)(0,-1){150}}% behind and
% \Put@Line(0,-50)(0,-1){150}% behind and
\putlratom{-30}{-260}{\@memberb}}% down
\or%
\setBScolor{\Put@Line(94,-10)(5,-2){108}}% in back
% \Put@Line(94,-10)(5,-2){108}% in back
\putratom{210}{-110}{\@memberb}% and right
% %%%%%%%%
\or%
{\thicklines%
\setBScolor{\Put@Line(60,280)(5,2){140}}% in front
% \Put@Line(60,280)(5,2){140}% in front
\putratom{210}{300}{\@memberb}}% and right
\or%
\setBScolor{\Put@Line(0,370)(0,1){70}}% behind
% \Put@Line(0,370)(0,1){70}% behind
\putlratom{-30}{450}{\@memberb}% and up
\or%
{\thicklines%
\setBScolor{\Put@Line(-60,280)(-5,2){140}}% in front
% \Put@Line(-60,280)(-5,2){140}% in front
\putlatom{-205}{300}{\@memberb}}% and left
\fi\fi}%end of ifcase
\end{sfpicture}}%end of macro ethanestereo
%</aliphat>
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
%<*aliphat>
% \section{Wedged bonds for stereochemistry}
% \subsection{Various tetrahedral units with wedged bonds}
%
% The macros |\rtetrahedralS| etc. typesets tetrahedral units weith bold wedged
% bonds. The following modes of numbering are adopted in these macro.
%
% \begin{verbatim}
% **************************************
% * tetrahedral units with wedged bonds *
% **************************************
%
%
% 2
%
% /
% 1 -- 0 0 <== the original point
% | |
% 3 4
% 1,2,3,4 <== substituents
% \end{verbatim}
%
% This macro has an argument |SUBSLIST| as well as an optional
% argument |AUXLIST|.
%
% \begin{verbatim}
% \rtetrahedralS[AUXLIST]{SUBSLIST}
% \RtetrahedralS[AUXLIST]{SUBSLIST}
% \ltetrahedralS[AUXLIST]{SUBSLIST}
% \LtetrahedralS[AUXLIST]{SUBSLIST}
% \utetrahedralS[AUXLIST]{SUBSLIST}
% \UtetrahedralS[AUXLIST]{SUBSLIST}
% \dtetrahedralS[AUXLIST]{SUBSLIST}
% \DtetrahedralS[AUXLIST]{SUBSLIST}
% \htetrahedralS[AUXLIST]{SUBSLIST}
% \end{verbatim}
%
% The arugument |AUXLIST| designates an character on the central
% atom of the formula drawn by this macro. It can be used a plus
% or minus charge on the center.
%
% \begin{verbatim}
% AUXLIST =
%
% {0+} : + charge (or another one chararacter) on the center
% \end{verbatim}
%
% \begin{verbatim}
% SUBSLIST: list of substituents
%
% for n = 1 to 4
%
% n : single bond at n-atom
%
% for 0 : cetral atom (e.g. 0==C)
% \end{verbatim}
% \changes{v5.00}{2010/10/01}{for bond coloring}
%
% \begin{macro}{\rtetrahedralS}
% \begin{macro}{\@rtetrahedralS}
% \begin{macrocode}
\def\rtetrahedralS{\@ifnextchar[{\@rtetrahedralS[r}{\@rtetrahedralS[r]}}
\def\@rtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylrtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){rtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondh}%1 (-1,0)
%\setatombondh%1 (-1,0)
\or\setBScolor{\setatombondF}%2 (3,5)
%\setatombondF%2 (3,5)
\or\setBScolor{\setatombonde}%3 (5,-3)
%\setatombonde%3 (5,-3)
\or\setBScolor{\setatombondE}%4 (3,-5)
%\setatombondE%4 (3,-5)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro rtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylrtetrahedralSposition| is used in
% |\rtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylrtetrahedralSposition}}
%
% \begin{macro}{\ylrtetrahedralSposition}
% \begin{macrocode}
\def\ylrtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{20}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-20}\gdef\@yli{47}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\ltetrahedralS}
% \begin{macro}{\@ltetrahedralS}
% \begin{macrocode}
\def\ltetrahedralS{\@ifnextchar[{\@ltetrahedralS[r}{\@ltetrahedralS[r]}}
\def\@ltetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylltetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){ltetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondb}%1 (1,0)
%\setatombondb%1 (1,0)
\or\setBScolor{\setatombondD}%2 (-3,5)
%\setatombondD%2 (-3,5)
\or\setBScolor{\setatombondg}%3 (-5,-3)
%\setatombondg%3 (-5,-3)
\or\setBScolor{\setatombondG}%4 (-3,-5)
%\setatombondG%4 (-3,-5)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro ltetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylltetrahedralSposition| is used in
% |\ltetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylltetrahedralSposition}}
%
% \begin{macro}{\ylltetrahedralSposition}
% \begin{macrocode}
\def\ylltetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{40}\gdef\@yli{-47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{20}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{47}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\dtetrahedralS}
% \begin{macro}{\@dtetrahedralS}
% \begin{macrocode}
\def\dtetrahedralS{\@ifnextchar[{\@dtetrahedralS[r}{\@dtetrahedralS[r]}}
\def\@dtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\yldtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){dtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombonda}%1 (0,1)
%\setatombonda%1 (0,1)
\or\setBScolor{\setatombonde}%5 (5,-3)
%\setatombonde%5 (5,-3)
\or\setBScolor{\setatombondg}%3 (-5,-3)
%\setatombondg%3 (-5,-3)
\or\setBScolor{\setatombondG}%4 (-3,-5)
%\setatombondG%4 (-3,-5)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro dtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\yldtetrahedralSposition| is used in
% |\dtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{yldtetrahedralSposition}}
%
% \begin{macro}{\yldtetrahedralSposition}
% \begin{macrocode}
\def\yldtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{-47}\global\@ylswtrue%N subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 2
\else
% \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 2
\gdef\@ylii{-42}\gdef\@yli{20}\global\@ylswtrue%W subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{20}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{47}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\DtetrahedralS}
% \begin{macro}{\@DtetrahedralS}
% \begin{macrocode}
\def\DtetrahedralS{\@ifnextchar[{\@DtetrahedralS[r}{\@DtetrahedralS[r]}}
\def\@DtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylDtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){DtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombonda}%1 (0,1)
%\setatombonda%1 (0,1)
\or\setBScolor{\setatombondg}%5 (-5,-3)
%\setatombondg%5 (-5,-3)
\or\setBScolor{\setatombonde}%3 (5,-3)
%\setatombonde%3 (5,-3)
\or\setBScolor{\setatombondE}%4 (3,-5)
%\setatombondE%4 (3,-5)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro DtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylDtetrahedralSposition| is used in
% |\DtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylDtetrahedralSposition}}
%
% \begin{macro}{\ylDtetrahedralSposition}
% \begin{macrocode}
\def\ylDtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{-47}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{40}\gdef\@yli{20}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{20}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-20}\gdef\@yli{47}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\utetrahedralS}
% \begin{macro}{\@utetrahedralS}
% \begin{macrocode}
\def\utetrahedralS{\@ifnextchar[{\@utetrahedralS[r}{\@utetrahedralS[r]}}
\def\@utetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylutetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){utetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondc}%8 (0,-1)
%\setatombondc%8 (0,-1)
\or\setBScolor{\setatombondf}%3 (5,3)
%\setatombondf%3 (5,3)
\or\setBScolor{\setatombondD}%1 (-3,5)
%\setatombondD%1 (-3,5)
\or\setBScolor{\setatombondd}%3 (-5,3)
%\setatombondd%3 (-5,3)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro utetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylutetrahedralSposition| is used in
% |\utetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylutetrahedralSposition}}
%
% \begin{macro}{\ylutetrahedralSposition}
% \begin{macrocode}
\def\ylutetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{47}\global\@ylswtrue%N subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 2
\else
\gdef\@ylii{-42}\gdef\@yli{-20}\global\@ylswtrue%W subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi%
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{-20}\global\@ylswtrue%SE subst. on 3
\fi
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\UtetrahedralS}
% \begin{macro}{\@UtetrahedralS}
% \begin{macrocode}
\def\UtetrahedralS{\@ifnextchar[{\@UtetrahedralS[r}{\@UtetrahedralS[r]}}
\def\@UtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylUtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){UtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondc}%1 (0,-1)
%\setatombondc%1 (0,-1)
\or\setBScolor{\setatombondd}%2 (-5,3)
%\setatombondd%2 (-5,3)
\or\setBScolor{\setatombondF}%3 (3,5)
%\setatombondF%3 (3,5)
\or\setBScolor{\setatombondf}%4 (5,3)
%\setatombondf%4 (5,3)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro UtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylUtetrahedralSposition| is used in
% |\UtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylUtetrahedralSposition}}
%
% \begin{macro}{\ylUtetrahedralSposition}
% \begin{macrocode}
\def\ylUtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{47}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{40}\gdef\@yli{-20}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-20}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi%
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{-20}\global\@ylswtrue%SE subst. on 3
\fi
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\htetrahedralS}
% \begin{macro}{\@htetrahedralS}
% \begin{macrocode}
\def\htetrahedralS{\@ifnextchar[{\@htetrahedralS[r}{\@htetrahedralS[r]}}
\def\@htetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylhtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){htetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondg}%5 (-5,-3)
%\setatombondg%5 (-5,-3)
\or\setBScolor{\setatombonde}%5 (5,-3)
%\setatombonde%5 (5,-3)
\or\setBScolor{\setatombondF}%1 (3,5)
%\setatombondF%1 (3,5)
\or\setBScolor{\setatombondD}%1 (-3,5)
%\setatombondD%1 (-3,5)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro htetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylhtetrahedralSposition| is used in
% |\htetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylhtetrahedralSposition}}
%
% \begin{macro}{\ylhtetrahedralSposition}
% \begin{macrocode}
\def\ylhtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{40}\gdef\@yli{30}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{-40}\gdef\@yli{30}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-20}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi%
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\RtetrahedralS}
% \begin{macro}{\@RtetrahedralS}
% \begin{macrocode}
\def\RtetrahedralS{\@ifnextchar[{\@RtetrahedralS[r}{\@RtetrahedralS[r]}}
\def\@RtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylRtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){RtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or
\setBScolor{\setatombondh}%1 (-1,0)
%\setatombondh%1 (-1,0)
\or\setBScolor{\setatombondE}%7 (3,-5)
%\setatombondE%7 (3,-5)
\or\setBScolor{\setatombondF}%2 (3,5)
%\setatombondF%2 (3,5)
\or\setBScolor{\setatombondf}%3 (5,3)
%\setatombondf%3 (5,3)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro RtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylRtetrahedralSposition| is used in
% |\RtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylRtetrahedralSposition}}
%
% \begin{macro}{\ylRtetrahedralSposition}
% \begin{macrocode}
\def\ylRtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-20}\gdef\@yli{-20}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\LtetrahedralS}
% \begin{macro}{\@LtetrahedralS}
% \begin{macrocode}
\def\LtetrahedralS{\@ifnextchar[{\@LtetrahedralS[r}{\@LtetrahedralS[r]}}
\def\@LtetrahedralS#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylLtetrahedralSposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){LtetrahedralS}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or
\setBScolor{\setatombondb}%1 (1,0)
%\setatombondb%1 (1,0)
\or\setBScolor{\setatombondG}%2 (-3,-5)
%\setatombondG%2 (-3,-5)
\or\setBScolor{\setatombondD}%3 (-3,5)
%\setatombondD%3 (-3,5)
\or\setBScolor{\setatombondd}%4 (-5,3)
%\setatombondd%4 (-5,3)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro LtetrahedralS
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\ylLtetrahedralSposition| is used in
% |\LtetrahedralS| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylLtetrahedralSposition}}
%
% \begin{macro}{\ylLtetrahedralSposition}
% \begin{macrocode}
\def\ylLtetrahedralSposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{40}\gdef\@yli{47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{-20}\global\@ylswtrue%SE subst. on 3
\fi%
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \subsection{Trigonal bipyramidal uits for transition states}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\utrigpyramid}
% \begin{macro}{\@utrigpyramid}
% \begin{macrocode}
\def\utrigpyramid{\@ifnextchar[{\@utrigpyramid[r}{\@utrigpyramid[r]}}
\def\@utrigpyramid#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\ylutrigpyramidposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){utrigpyramid}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombondc}%1 (0,-1)
%\setatombondc%1 (0,-1)
\or\setBScolor{\setatombondF}%2 (3,5)
%\setatombondF%2 (3,5)
\or\setBScolor{\setatombondD}%3 (-3,5)
%\setatombondD%3 (-3,5)
\or{\let\dotorline=\d@t@rline \setBScolor{\setatombondh}}%4 (-1,0)
%{\let\dotorline=\d@t@rline \setatombondh}%4 (-1,0)
\or{\let\dotorline=\d@t@rline \setBScolor{\setatombondb}}%5 (1,0)
%{\let\dotorline=\d@t@rline \setatombondb}%5 (1,0)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro utrigpyramid
% \end{macrocode}
% \end{macro}
% \end{macro}
%
% The command |\ylutrigpyramidposition| is used in
% |\utrigpyramid| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{ylutrigpyramidposition}}
%
% \begin{macro}{\ylutrigpyramidposition}
% \begin{macrocode}
\def\ylutrigpyramidposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{47}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{-20}\gdef\@yli{-47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{-47}\global\@ylswtrue%SE subst. on 3
\fi%
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\fi
\fi%end of ifcase
\fi\fi\fi}}%
% \end{macrocode}
% \end{macro}
%
% \changes{v5.00}{2010/10/01}{for bond coloring}
% \begin{macro}{\dtrigpyramid}
% \begin{macro}{\@dtrigpyramid}
% \begin{macrocode}
\def\dtrigpyramid{\@ifnextchar[{\@dtrigpyramid[r}{\@dtrigpyramid[r]}}
\def\@dtrigpyramid#1]#2{%
\begingroup
\@reset@ylsw%
\centralatomcheck{#2}%
\ifno@centeratom\relax\@clipfusefalse\else\@clipfusetrue\fi%
\yldtrigpyramidposition{#2}%
\if@ylsw \ifx\@@ylii\empty
\def\@@ylii{0}\def\@@yli{0}\fi
\fi
\begin{ShiftPicEnvB}(0,0)(-\yl@shiftii,-\yl@shifti)/%
(600,600)(-300,-300){dtrigpyramid}%2002/4/30 by S. Fujita
(300,300)%
\@tfor\member:=#1\do{%
\expandafter\twoch@@r\member{}{}%
\if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
%set of bond and atoms
\@forsemicol\member:=#2\do{%
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax%
\expandafter\threech@r\@membera{}{}%
\ifx\@memberb\@yl\else
\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
\or\setBScolor{\setatombonda}%1 (0,1)
%\setatombonda%1 (0,1)
\or\setBScolor{\setatombondE}%2 (3,-5)
%\setatombondE%2 (3,-5)
\or\setBScolor{\setatombondG}%3 (-3,-5)
%\setatombondG%3 (-3,-5)
\or{\let\dotorline=\d@t@rline \setBScolor{\setatombondh}}%4 (-1,0)
%{\let\dotorline=\d@t@rline \setatombondh}%4 (-1,0)
\or{\let\dotorline=\d@t@rline \setBScolor{\setatombondb}}%5 (1,0)
%{\let\dotorline=\d@t@rline \setatombondb}%5 (1,0)
\fi%end of ifcase
\fi\fi}%
%\@clipfusefalse%
\end{ShiftPicEnvB}%
\endgroup}%end of macro dtrigpyramid
% \end{macrocode}
% \end{macro}
% \end{macro}
%
%
% The command |\yldtrigpyramidposition| is used in
% |\dtrigpyramid| to adjust a substitution position.
% \changes{v4.02}{2004/12/20}{Newly added command:
% \cs{yldtrigpyramidposition}}
%
% \begin{macro}{\yldtrigpyramidposition}
% \begin{macrocode}
\def\yldtrigpyramidposition#1{%
\@@ylswfalse%%%\@reset@ylsw
\@forsemicol\member:=#1\do{%
\if@@ylsw\else
\ifx\member\empty\else
\expandafter\@m@mb@r\member;\relax
\expandafter\threech@r\@membera{}{}\relax
\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
\if@@ylsw
\ifcase\@tmpa\relax
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
\else
\gdef\@ylii{0}\gdef\@yli{-47}\global\@ylswtrue%W subst. on 1
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%N subst. on 2
\else
\gdef\@ylii{-20}\gdef\@yli{47}\global\@ylswtrue%N subst. on 2
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{20}\gdef\@yli{47}\global\@ylswtrue%SE subst. on 3
\fi%
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{40}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\fi
\or
\ifno@centeratom%
\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\else
\gdef\@ylii{-40}\gdef\@yli{0}\global\@ylswtrue%SE subst. on 3
\fi
\fi%end of ifcase
\fi\fi\fi}}%
%</aliphat>
% \end{macrocode}
% \end{macro}
%
% \Finale
%
\endinput