path: root/Master/texmf-dist/source/latex/chemscheme/chemscheme.dtx

% \iffalse meta-comment
%
% Copyright (C) 2007 by
%    Joseph Wright <joseph.wright@morningstar2.co.uk>
%
% 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 2003/12/01 or later.
%
% This work has the LPPL maintenance status ``maintained.''
%
% The current maintainer of this work is Joseph Wright.
%
% This work consists of the source file chemscheme.dtx and
%                                       scheme.cdx
%                 and the derived files chemscheme.ins,
%                                       chemscheme.sty,
%                                       chemscheme.pdf,
%                                       scheme-one.eps and
%                                       scheme-two.eps
%
% Unpacking:
%    (a) If chemscheme.ins is present:
%           tex chemscheme.ins
%    (b) Without chemscheme.ins:
%           tex chemscheme.dtx
%    (c) If you use LaTeX to generate files:
%           latex \let\install=y\input{chemscheme.dtx}
%
% Documentation:
%    (a) Without write18 enabled:
%          latex chemscheme.dtx
%          (Comment out "inactive" line in driver where indicated)
%          latex chemscheme.dtx
%          dvips -o chemscheme-pics.ps chemscheme.dvi
%          ps2pdf chemscheme-pics.ps
%          bibtex8 --wolfgang chemscheme.aux
%          makeindex -s gind.ist chemscheme.idx
%          makeindex -s gglo.ist -o chemscheme.gls  chemscheme.glo
%          pdflatex chemscheme.dtx
%          makeindex -s gind.ist chemscheme.idx
%          makeindex -s gglo.ist -o chemscheme.gls  chemscheme.glo
%          pdflatex chemscheme.dtx
%    (b) With write18 enabled:
%          latex chemscheme.dtx
%          (Comment out "inactive" line in driver where indicated)
%          latex chemscheme.dtx
%          pdflatex chemscheme.dtx
%          bibtex8 --wolfgang chemscheme.aux
%          pdflatex chemscheme.dtx
%          pdflatex chemscheme.dtx
%
% Installation:
%     Copy chemscheme.sty to a location searched by TeX, and
%     if required by your TeX installation, run the appropriate
%     command to build a hash of files (texhash, mpm --update-db,
%     etc.)
%
% Note:
%     The jawltxdoc.sty file is not needed for installation,
%     only for building the documentation.  It may be deleted.
%
%<*ignore>
% This is all taken verbatim from Heiko Oberdiek's packages
\begingroup
  \def\x{LaTeX2e}%
\expandafter\endgroup
\ifcase 0\ifx\install y1\fi\expandafter
         \ifx\csname processbatchFile\endcsname\relax\else1\fi
         \ifx\fmtname\x\else 1\fi\relax
\else\csname fi\endcsname
%</ignore>
%<*install>
\input docstrip.tex
\keepsilent
\askforoverwritefalse
\preamble
 ----------------------------------------------------------------
 The chemscheme package --- Support for chemical schemes
 Maintained by Joseph Wright
 E-mail: joseph.wright@morningstar2.co.uk
 Released under the LaTeX Project Public License v1.3 or later
 See http://www.latex-project.org/lppl.txt
 ----------------------------------------------------------------

\endpreamble
\Msg{Generating chemscheme files:}
\usedir{tex/latex/contib/chemscheme}
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          \file{\jobname.sty}{\from{\jobname.dtx}{package}}
          \file{jawltxdoc.sty}{\from{\jobname.dtx}{jawltxdoc}}
}
\nopreamble\nopostamble
\usedir{doc/latex/chemscheme}
\generate{\file{scheme-one.eps}{\from{chemscheme.dtx}{scheme}}
          \file{scheme-two.eps}{\from{chemscheme.dtx}{scheme,labels}}
          \file{chemscheme.bib}{\from{chemscheme.dtx}{bib}}
}
\endbatchfile
%</install>
%<*ignore>
\fi
% Will Robertson's trick
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\immediate\write18{makeindex -s gglo.ist -o \jobname.gls  \jobname.glo}
\immediate\write18{dvips -o \jobname-pics.ps \jobname.dvi}
\immediate\write18{ps2pdf \jobname-pics.ps}
%</ignore>
%<*driver>
\PassOptionsToClass{a4paper}{article}
\documentclass{ltxdoc}
\EnableCrossrefs
\CodelineIndex
\RecordChanges
%\OnlyDescription
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% together in |jawltxdoc|.
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% A bit of one-off trickery for this package
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\usepackage[final%
% Comment out the next line when using PDFLaTeX after the initial
% LaTeX run!
%  ,inactive%
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\begin{document}
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\end{document}
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%
% \changes{v1.0}{2007/07/21}{Initial public release}
% \changes{v1.1}{2007/08/05}{Added float centring code}
% \changes{v1.2}{2007/08/18}{Removed \texttt{chapter} option}
% \changes{v1.2}{2007/08/18}{Improved emulation of standard float
%   types}
%\changes{v1.2a}{2007/09/19}{License changed from GPL to LPPL}
%\changes{v1.2a}{2007/09/19}{Documentation for PDF use added}
%\changes{v1.3}{2007/10/04}{Improved French and German
%  \texttt{babel} support}
%
%\DoNotIndex{}
%
% \title{\texttt{chemscheme} --- Support for chemical schemes%
%   \thanks{This file describes version \fileversion, last revised
%           \filedate.}}
% \author{Joseph Wright%
%   \thanks{E-mail: joseph.wright@morningstar2.co.uk}}
% \date{Released \filedate}
%
% \maketitle
%
%\begin{abstract}
% The |chemscheme| package consists of two parts, both related to
% chemical schemes.  The package adds a |scheme| float type to the
% LaTeX default types |figure| and |table|. The |scheme| float type
% acts in the same way as those defined by the LaTeX kernel,  but is
% intended for chemical schemes.  The package also provides a method
% for adding automatic chemical numbering to schemes.
%\end{abstract}
%
%\begin{multicols}{2}
%\tableofcontents
%\end{multicols}
%
%\section{Introduction}
% By default, LaTeX defines two float types, |figure| and |table|.
% Synthetic chemists make heavy use of schemes, which need a |scheme|
% float type.  This is provided by |chemscheme|, in a manner
% consistent with the kernel floats.
%
% Synthetic chemists also number compounds for ease of reference.
% There are a number of LaTeX packages which cover this area, most
% notably |bpchem| and |chemcompounds|.  However, adding numbers
% automatically to schemes is not covered by any existing package.
% The |chemscheme| package seeks to rectify this.
%\floatcontentscentre
%
%\section{Floating schemes}
%\subsection{Basic use}
%\DescribeEnv{scheme}
% The package provides a new float type, scheme, accessed in the
% usual way.
%\begin{LaTeXexample}[\typesetfloatexample]
% \begin{scheme}[ht]
%   \includegraphics{scheme-one}
%   \caption{A scheme with no compound numbers.}
% \end{scheme}
%\end{LaTeXexample}
% The |scheme| float is designed to behave in the same way as the
% standard LaTeX float environments |figure| and |table|.  Thus
% schemes will be placed at the top of a page, where possible. As
% shown in the example, the use of positional modifiers is allowed.
% Labelling and referencing schemes also follows the LaTeX
% conventions.  |chemscheme| works hard to emulate the document class
% in use, and so the exact behaviour will depend on whether the
% standard classes, \textsc{koma-script} or |memoir| are being used.
%
% \DescribeMacro{\listofschemes}
% \DescribeMacro{\listschemename}
% To match the \cmd{\listoffigures} and \cmd{\listoftables} macros
% provided by the LaTeX kernel, |chemscheme| provides a
% \cmd{\listofschemes} command.  This works in the same way as the
% kernel commands, with the default text stored in the macro
% \cmd{\listschemename}.  Users upgrading from version 1.1 should
% note the change of macro name (from \cmd{\listscheme}).  This
% is to bring |chemscheme| into line with the LaTeX kernel
% naming convention.  Also notice that \cmd{\listofschemes} no longer
% accepts an optional argument.  The standard output is illustrated
% below.
%\begin{LaTeXexample}[\typesetcodeandexample]
% \listofschemes
%\end{LaTeXexample}
%
%\subsection{Altering the defaults}
%
% For users of the standard class files or the \textsc{koma-script}
% bundle, the |float| package is used to create the new float type.
% Thus the usual |float| commands can be used to modify the behaviour
% as desired. Users of |memoir| will have slightly different commands
% available, as |memoir| implements its own new float mechanism,
% which is used in that case.  Anything that you can do for a
% standard float, you should be able to to do for a scheme, and it
% should behave in the same way as a figure or a table.  Please
% let the package maintainer know of any bugs in this support.
%
% \DescribeMacro{\schemename}
% \cmd{\schemename} contains the text used in scheme captions (by
%  default \schemename).  This is used in the same manner as
% \cmd{\figurename} or \cmd{\tablename} to set up the text used in
% scheme captions.
%\begin{LaTeXexample}[\typesetfloatexample]
% \renewcommand*{\schemename}{Illustration}
% \begin{scheme}[ht]
%   \includegraphics{scheme-one}
%   \caption{A scheme that is not a Scheme!}
% \end{scheme}
%\end{LaTeXexample}
% ^^A The name is reset to normal after the example
%\renewcommand*{\schemename}{Scheme}
%
%\subsection{\texttt{babel} support}
% Schemes are provided with some support for |babel|.  Currently, in
% addition to English, |chemscheme| provides alternatives for
% \cmd{\schemename} and \cmd{\listschemename} in French and German.
% Users of other languages are encouraged to supply suitable
% translations for inclusion in future versions of |chemscheme|.
%
%\section{Horizontal positioning of all floats}
%\DescribeMacro{\floatcontentscentre}
%\DescribeMacro{\floatcontentscenter}
%\DescribeMacro{\floatcontentsleft}
%\DescribeMacro{\floatcontentsright}
% The LaTeX default is to position all float contents flush-left.
% There is no ``hook'' provided to alter this.  The |chemscheme|
% packages therefore provides commands to align all float contents
% automatically.  As the macro names make clear,
% \cmd{\floatcontentscentre} will make all floats centred (for users
% speaking U.S.~English, the alternative spelling
% \cmd{\floatcontentscenter} is also available).  The default
% behaviour is restored using the command \cmd{\floatcontentsleft}.
% Finally, \cmd{\floatcontentsright} is provided  for use if needed.
% Notice that the float positioning commands should be given
% \emph{outside} floating environments, and apply to all subsequent
% floats.
%\begin{LaTeXexample}[\typesetfloatexample]
% \floatcontentsleft
% \begin{scheme}[ht]
%   \includegraphics{scheme-one}
%   \caption{A flush-left scheme.}
% \end{scheme}
% \floatcontentsright
% \begin{scheme}[ht]
%   \includegraphics{scheme-one}
%   \caption{A flush-right scheme.}
% \end{scheme}
% \floatcontentscentre
%\end{LaTeXexample}
%
% It is important to note that the positioning mechanism used here
% relies on a low-level hack of the LaTeX kernel.  This has been
% tested with the standard LaTeX classes, the \textsf{memoir} class
% and the \textsc{koma-script} bundled.  Other document classes may
% not give the desired behaviour.
%
%\section{Reference numbers in graphics}
%\subsection{Background}
% There are a number of packages available on \textsc{ctan} for
% tracking compound reference numbers.  The two with the most up to
% date and comprehensive features are |bpchem| and |chemcompounds|.
% Both allow in-text numbering to be handled automatically.  However,
% neither will allow the use of these numbers directly in schemes,
% figures, \emph{etc.}  Both leave it to the user to manually
% adapt schemes to match any changes in numbering.
%
% The |chemscheme| package provides a mechanism for rectifying this
% issue.  The package makes use of the |psfrag| package, which means
% that it can only directly produce DVI output (using LaTeX).
% However, direct PDF output using PDFLaTeX is possible: see
% Section~\ref{subsec:pdf}.
%
%\DescribeMacro{\chemschemeref}
%\DescribeMacro{\chemschemerefsub}
% Users upgrading from v.2 should note that ``chem'' has been removed
% from the start of most macro names.  The main referencing commands
% \cmd{\chemschemeref} and \cmd{\chemschemerefsub} are retained for
% backward compatibility.
%
%\subsection{Usage}
% Getting automated numbers into schemes is a two step procedure. In
% the first step, schemes (or other graphics) should be prepared as
% normal and saved as encapsulated postscript (EPS) files The most
% popular chemistry drawing package, \textsc{ChemDraw}, is able to do
% this from the \texttt{Save As \ldots} dialog.
%\DescribeMacro{\schemerefmarker}
% The positions where the auto-labels should be have to be marked in
% the EPS file. The marker should consist of an ``indicator'' that
% the text is to be replaced, followed by a reference number or
% letter.  For automated substitution, the ``indicator'' text should
% be the same in all graphics; the value it is stored in
% \cmd{\schemerefmarker}, and has default value
% \textsf{\schemerefmarker}.  Thus the graphics should contain labels
% \textsf{\schemerefmarker1}, \textsf{\schemerefmarker2}, \emph{etc}.
% A suitable unmodified graphic is shown in in the next example.
%\begin{LaTeXexample}[\typesetfloatexample]
% \begin{scheme}[ht]
%   \includegraphics{scheme-two}
%   \caption{A scheme with temporary compound numbers.}
% \end{scheme}
%\end{LaTeXexample}
% The value of \cmd{\schemerefmarker} may be altered as normal,
% so for example to use \textsf{XXX} as the indicator for
% replacement in all graphics, you would execute:
%\begin{LaTeXexample}[\typesetcodeonly]
% \renewcommand*{\chemeschemerefmarker}{XXX}
%\end{LaTeXexample}
%
%\DescribeMacro{\schemeref}
% In the second step, the command \cmd{\schemeref} is used to
% indicate the mapping of the temporary markers to the
% automatically-managed numbering. The syntax of the command is
% \cmd{\chemschemeref}\oarg{temp-marker}\marg{label}, where
% \meta{temp-marker} is the marker used in the graphic, and
% \meta{label} is the name assigned to the compound by the user. By
% default, |chemscheme| will assume that \meta{temp-marker} consists
% of the marker plus a number, beginning at 1 and incrementing by 1
% for each additional structure inside one float. Each replacement
% requires a separate \cmd{\chemschemeref}, all of which should
% appear before the relevant \cmd{\includegraphics} command.
%
% An example will make usage clearer. In the example used in this
% document, the starting material is given label |IMesHCl| and the
% product is called |IMes|.  As is shown in the next example, in the
% EPS file these are labelled \textsf{TMP1} and \textsf{TMP2},
% respectively. The automated package defaults are used.
%\begin{LaTeXexample}[\typesetfloatexample]
% \begin{scheme}[ht]
%   \schemeref{IMesHCl}
%   \schemeref{IMes}
%   \includegraphics{scheme-two}
%   \caption{A scheme with automated compound numbers.}
% \end{scheme}
%\end{LaTeXexample}
% With user-specified information on the text to be replaced, the
% entire text to be matched must be given.\footnote{In this example,
% this is redundant as the automated system will work fine.}
%\begin{LaTeXexample}[\typesetfloatexample]
% \begin{scheme}[ht]
%   \schemeref[TMP1]{IMesHCl}
%   \schemeref[TMP2]{IMes}
%   \includegraphics{scheme-two}
%   \caption{A scheme with explicitly numbered temporary labels.}
% \end{scheme}
%\end{LaTeXexample}
% Notice that the new label is centred on the middle of the temporary
% marker, with the same baseline.  This should allow the user to
% obtain good alignment of labels and structures.
%
%\DescribeMacro{\schemerefsub}
% As described in Section~\ref{packages}, |chemscheme| supports
% |bpchem|, which allows tracking of sub-labels (\textbf{1a},
% \textbf{1b}, \emph{etc.}).  To allow use of these in schemes, the
% \cmd{\schemerefsub} command is provided.  This takes an additional
% argument \marg{sub-label}, which is used to generate the
% appropriate text.  When used with |chemcompounds|, this command
% will gobble its arguments and issue a warning; no substitution will
% take place.
%
%\DescribeMacro{\schemerefformat}
% The format of chemical references is controlled by the underlying
% package, |bpchem| or |chemcompounds|.  However, it is useful to be
% able to specify additional formatting for schemes.  By default,
% |chemscheme| formats all reference numbers in a sans serif font.
% This is controlled by \cmd{\schemerefformat}.
%\begin{LaTeXexample}[\typesetfloatexample]
% % This needs the color or xcolor package loaded
% \renewcommand*{\schemerefformat}
%   {\color{magenta}\textit}
% \begin{scheme}[ht]
%   \schemeref{IMesHCl}
%   \schemeref{IMes}
%   \includegraphics{scheme-two}
%   \caption{A scheme with altered label formatting.}
% \end{scheme}
%\end{LaTeXexample}
% The additional formatting applied within schemes may be altered by
% redefining \cmd{\schemerefformat}.  By careful choice of the
% font commands given here, good visual matching should be obtained
% between the automatically-generated labels and other text in the
% scheme.  In this document, the \textsc{ChemDraw} source uses 10
% point Arial, with the LaTeX sans serif font provided by the
% |helvet| package, loaded scaled to 95\percent, \emph{i.e.}:
%\begin{LaTeXexample}[\typesetcodeonly]
% \usepackage[scaled=0.95]{helvet}
%\end{LaTeXexample}
% The \textsc{ChemDraw} file used to generate the example schemes
% is included with the package as |chemscheme.cdx|.
%
%\subsection{\texttt{chemscheme} and PDFLaTeX\label{subsec:pdf}}
% The automatic substitution of numbers in graphics relies on the the
% |psfrag| package.  This works with \textsc{PostScript} files, and
% cannot therefore be used with PDFLaTeX.  However, all is not lost
% as the |pst-pdf| package provides a method for including
% \textsc{PostScript} files in a PDFLaTeX run.  However, this is not
% automatic and some effort is needed by the user.\footnote{The rest
% of this section is based closely on an example by Stefan Pinnow.}
% The example below shows a example for using PDFLaTeX with
% |chemscheme|.\footnote{This example is saved as
% \texttt{example.tex} when this documentation is compiled.}
% ^^A This example is saved for the user as ``example.tex''
%\edef\LaTeXexamplefile{example.tex}
%\begin{LaTeXexample}[\typesetcodeonly]
% \documentclass{article}
% \usepackage[T1]{fontenc}
% \usepackage{graphicx,chemscheme}
% % Remove inactive after the first LaTeX run
% \usepackage[inactive,final]{pst-pdf}
% \begin{document}
% \floatcontentscentre
% An example file for PDFLaTeX use.
% \begin{scheme}
%   \schemeref{IMesHCl}
%   \schemeref{IMes}
%   \includegraphics{scheme-two}
%   \caption{A scheme with automated compound numbers.}
%   \label{sc:scheme-one}
% \end{scheme}
% \end{document}
%\end{LaTeXexample}
%\edef\LaTeXexamplefile{\jobname.tmp}
%
% First you need to run the file through LaTeX, so your package can
% make the replacements in the picture. Then you need another run
% through LaTeX with the |inactive| option |pst-pdf| removed so that
% the modified pictures are extracted.\footnote{You can simply do the
% first LaTeX run without loading \texttt{pst-pdf} at all, if you
% prefer.}  Do not worry that you end up with a very odd looking DVI!
% Then you have to convert the extracted pictures to PDF by the
% following commands
%\begin{verbatim}
%  dvips -o \jobname-pics.ps \jobname.dvi
%  ps2pdf \jobname-pics.ps
%\end{verbatim}
% This converts the modified graphics into PDF format. After this,
% you can use PDFLaTeX as normal for your schemes. Notice that you
% will have to repeat the process if you need to modify the schemes
% or numbering in any way.
%
%\subsection{Managing chemical numbering\label{packages}}
% The |chemscheme| package can use one of two packages for management
% of chemical numbering: |bpchem| and |chemcompounds|. As of v1.3,
% |chemcompounds| is the default package for managing reference
% numbers.\footnote{The change from \texttt{bpchem} is due to issues
% with \texttt{hyperref} support.  The method used by \texttt{bpchem}
% to generate compound labels means that they are made into
% hyperlinks by \texttt{hyperref}, and therefore end up coloured when
% using the \texttt{colorlinks} option.  This is unlikely to be the
% desired effect, and \texttt{chemcompounds} does not behave in this
% way.} Both packages have advantages: |bpchem| allows the tracking
% of sub-references (very common in organic chemistry), whilst
% |chemcompounds| has a very well thought-out interface.  It is
% technically feasible to support both simultaneously, but this is
% unlikely to have wide application. For this reason, |chemscheme|
% loads only one package (depending on the user option given), and
% uses this package to provide numbering management. Both |bpchem|
% and |chemcompounds| provide a variety of methods for defining
% chemical labels.
%
%\section{Generating chemical schemes}
%
%\subsection{Overview}
% There are a number of ways of generating the graphical content of
% schemes.  The choice of method will depend on what is available to
% the user, and how complex the schemes desired are. In this section,
% an overview of several approaches is given.\footnote{Thanks to
% Norwid-R.\ Behrnd for suggesting this section and giving a number
% of useful examples and tips.}  The package author, who is a
% research worker in a university, favours using \textsc{ChemDraw} as
% it is regarded by many synthetic chemists as the best tool for this
% job.  However, this is clearly overkill for users requiring a
% single diagram on a one-off basis. \textsc{ChemDraw} is also a
% commercial package running only under Windows and the MacOS. The
% following is necessarily somewhat brief and selective.  For a
% thorough overview of graphics in LaTeX, see Goossens \emph{et
% al.}~\cite{Goossens2007}.
%
%\subsection{Macro-based methods}
% At the most basic, a chemical scheme is simply a collection of
% lines and symbols, as with any vector diagram.  Hence, it is
% possible to construct schemes directly using packages such as
% PSTricks or |pgf|/|tikz|.  This is a complex method, and cannot be
% recommended for anyone except the very experienced and brave.
%
% At a more practical level, there are two packages available which
% allow typesetting of chemical structures in (La)TeX, using
% specialised commands: XyMTeX and ppchTeX.  Recent versions of the
% XyMTeX package have not been made available on \textsc{ctan}, and
% the version held there is therefore considered to be obsolete.  On
% the other hand, the ppchTeX system, developed originally for
% ConTeXt, is available. Both systems suffer from the lack of
% chemical logic in the input: it is very hard to tell from the code
% what is being represented. Drawing items such as ``curly arrows'',
% or making subtle alterations to positioning, is very challenging in
% purely macro-based systems.  For these reasons, it is usually much
% more sensible to examine the available graphical methods.
%
%\subsection{Graphical methods}
% Moving to graphical systems, there is no reason that
% general-purpose vector drawing packages cannot be used for schemes.
% There are obviously several commercial (\textsc{CorelDraw},
% \textsc{Adobe Illustrator}, \emph{etc.}) and freeware (for example
% the \textsc{gimp}) drawing packages that can be used in this way.
% Simply rings and lines can easily be constructed, although in
% general-purpose programs the user has to watch that all bonds
% are the same length.
%
% For producing a large number of complex schemes, the particular
% abilities of dedicated software become a necessity. As well as the
% already-mentioned \textsc{ChemDraw}, programs such as \textsc{ISIS
% Draw} and \textsc{ChemSketch} are available free for personal
% use;\footnote{``Free'' as in without charge, not as in open
% source.} these programs are all Windows specific.  In the
% open-source arena, there are a number of packages such as
% \textsc{XDrawChem} and \textsc{BKchem}, which offer cross-platform
% functionality.  The differences between the various packages are in
% the ease of use, and ability to generate well-formattd output (for
% example, aligning structures).
%
% One which deserves mention for the TeX user is TpX.  This is a
% general purpose Windows graphics program specifically aimed at
% producing TeX-friendly output (such as PSTricks and |tikz| code)
% from a graphical interface. TpX can accept clipboard data from
% other programs, so can be used to produce EPS files from programs
% which do not have native export facilities (such as \textsc{ISIS
% Draw}).
%
%\section{Known issues}
%
% The interaction of the different document classes, with options,
% plus the |babel| system means ensuring every possibility is covered
% is impossible.  Users are asked to report any problems with
% compatibility with other packages or emulation of the standard
% float types.  Additional |babel| stings are also welcome, as are
% improvements to those already provided.
%
% \StopEventually{\bibliographystyle{unsrt}\bibliography{chemscheme}}
%
% \iffalse
%<*package>
% \fi
%
% \section{Implementation}
%
% \subsection{Setup code}
%
% The initial code goes through the usual steps of identifying the
% package.
%    \begin{macrocode}
\NeedsTeXFormat{LaTeX2e}
\ProvidesPackage{chemscheme}%
  [2007/10/04 v1.3 Support for chemical schemes]
%    \end{macrocode}
%\changes{v1.3}{2007/10/04}{Load \texttt{caption} for
%  non-\texttt{memoir} classes}
% The |psfrag| package is required to carry out the inclusion of
% chemical numbers in graphics.  Robust patching of commands is
% provided by |elatex|. If the |memoir| package is not
% being used, the |float| package is used to provide support for
% new float types.  However, if |memoir| is in use, |float| is not
% loaded.  As |caption| makes things work very nicely too, we load
% that here if |memoir| is not in use.
%    \begin{macrocode}
\RequirePackage{psfrag,iflang}
\@ifclassloaded{memoir}{}
  {\RequirePackage{float,caption}}
%    \end{macrocode}
%\changes{v1.3}{2007/10/04}{Switch to using \texttt{chemcompounds}
%  by default}
% Option processing now takes place.  By default, |chemscheme| uses
% the |chemcompounds| package for managing chemical compound
% references.  The options reflect this.
%    \begin{macrocode}
\newif  \ifchemsch@bpchem    \chemsch@bpchemfalse
\DeclareOption{chemcompounds}{\chemsch@bpchemfalse}
\DeclareOption{bpchem}{\chemsch@bpchemtrue}
%    \end{macrocode}
% The |chapter| option is no longer used, so the user is told that it
% is ignored.  Hopefully nothing bad happens, and so an error is not
% appropriate.
%    \begin{macrocode}
\DeclareOption{chapter}%
  {\PackageInfo{chemscheme}%
  {Ignoring obsolete option `chapter'}}
\ProcessOptions
%    \end{macrocode}
%
%\subsection{Support for schemes}
%\begin{macro}{\schemename}
%\begin{macro}{\listschemename}
%\changes{v1.2}{2007/08/18}{Replaces \texttt{\textbackslash
% listschemes}}
% The default name for a scheme, and the default title for the list
% of schemes, are provided.  Both command names follow the
% kernel conventions for figures and tables.
%    \begin{macrocode}
\newcommand*{\schemename}{Scheme}
\newcommand*{\listschemename}{List of Schemes}
%    \end{macrocode}
%\end{macro}
%\end{macro}
%\begin{environment}{scheme}
% The \cmd{\newfloat} command is used to generate the new float type.
% The syntax depends on whether whether |float| or |memoir| is used
% for the definition.  Notice that the formation of the new float has
% to wait for the beginning of the document, as this has to occur
% after |hyperref| may be loaded.
%\changes{v1.2}{2007/08/18}{Added \texttt{chapter} option to
%  \texttt{memoir} \cs{newfloat} command}
%\changes{v1.2a}{2007/09/19}{Fixed error with \texttt{hyperref}}
%    \begin{macrocode}
\@ifclassloaded{memoir}{%
%    \end{macrocode}
% In the |memoir| case, floats are always defined numbered within
% chapters.
%    \begin{macrocode}
  \AtBeginDocument{%
    \newfloat[chapter]{scheme}{los}{\schemename}
%    \end{macrocode}
% The |memoir| kernel makes various changes to the formatting of
% the default float types after they are declared.  So the same is
% done here for schemes.  The \cmd{\addtodef} macro is defined by
% |memoir|.  Why all of this is done is not clear, but it is best
% to be on the safe side.
%    \begin{macrocode}
    \kill@lastcounter{losdepth}
    \renewcommand*{\thescheme}{\thechapter.\@arabic\c@scheme}
    \addtodef{\@smemfront}{}{\counterwithout{scheme}{chapter}}
    \addtodef{\@smemmain}{}{%
      \ifartopt\else
        \counterwithin{scheme}{chapter}
      \fi}
    \addtodef{\backmatter}{}{%
      \ifartopt\else
        \counterwithout{scheme}{chapter}%
        \setcounter{scheme}{0}%
      \fi}
    \ifartopt
      \counterwithout{scheme}{chapter}%
    \fi
  }
}{%
%    \end{macrocode}
%\changes{v1.3}{2007/10/04}{Fixed problem when \cs{chapter}
%  expands to \cs{relax}}
% When using |float|, the standard LaTeX class behaviour is emulated.
% Only some classes define chapters, so this has to be tested and
% accounted for when forming the |scheme| float.
%    \begin{macrocode}
  \AtBeginDocument{%
    \@ifundefined{chapter}{%
      \newfloat{scheme}{tbp}{los}%
    }{%
      \newfloat{scheme}{tbp}{los}[chapter]
%    \end{macrocode}
% In the standard classes which do define chapters, a bit of hacking
% occurs with the labelling of floats.  So the same is done for
% schemes.  \textsc{koma-script} doesn't do this, so a test is needed
% for that as well.
%    \begin{macrocode}
      \@ifundefined{KOMAScriptVersion}{%
        \renewcommand*{\thescheme}%
          {\ifnum\c@chapter>\z@ \thechapter.\fi \@arabic\c@scheme}
      }{}
%    \end{macrocode}
% To get the correct appearance for table of contents, the
% \cmd{\@chapter} macro is patched to recognise schemes.  A bit of
% shuffling is required, since \cmd{\g@addto@macro} cannot be used
% here.
%    \begin{macrocode}
      \let\chemsch@orig@chapter\@chapter
      \def\chemsch@chapter{%
        \addtocontents{los}{\protect\addvspace{10\p@}}%
          \chemsch@orig@chapter}
      \let\@chapter\chemsch@chapter
    }
  }
}
%    \end{macrocode}
%\end{environment}
%\begin{macro}{\listofschemes}
% To ensure that things are labelled correctly, the new float type is
% given an appropriate name.  Notice that |memoir| does this at the
% float-definition stage. In common with the standard float types, a
% \cmd{\listof} command is provided for schemes. Notice again the
% need for almost everything to take place after any potential
% loading of |hyperref|.
%    \begin{macrocode}
\@ifclassloaded{memoir}
  {\AtBeginDocument{%
    \newlistof{listofschemes}{los}{\listschemename}
%    \end{macrocode}
% Once again, various hacks are needed to get good emulation for
% |memoir|.
%    \begin{macrocode}
    \kill@lastcounter{losdepth}
    \newlistentry[chapter]{scheme}{los}{0}
    \cftsetindents{scheme}{0em}{2.3em}
    \addtodef{\insertchapterspace}{}%
      {\addtocontents{los}{\protect\addvspace{10pt}}}
    \@ifundefined{c@losdepth}%
      {\newcounter{losdepth}\setcounter{losdepth}{1}}{}%
    }
  }
%    \end{macrocode}
% For the standard document classes, things are a bit less complex.
% Notice that \cmd{\floatname} is needed to define the name of a
% scheme as ``Scheme.''
%    \begin{macrocode}
  {\floatname{scheme}{\schemename}
    \newcommand*{\listofschemes}{\listof{scheme}{\listschemename}}}
%    \end{macrocode}
% \end{macro}
%
%\subsection{Positioning float contents}
%\begin{macro}{\floatcontentscentre}
%\begin{macro}{\floatcontentscenter}
%\begin{macro}{\floatcontentsleft}
%\begin{macro}{\floatcontentsright}
% In order to centre the content of all floats, a method is needed
% to break into the mechanism.  None is provided by default,
% but it can be achieved by patching \cmd{\@floatboxreset}.
% User space switching commands are defined to turn centring on and
% off.
%    \begin{macrocode}
\newcommand*{\floatcontentscentre}%
  {\let\chemsch@everyfloat\centering}
\let\floatcontentscenter\floatcontentscentre
\newcommand*{\floatcontentsleft}%
  {\let\chemsch@everyfloat\relax}
\newcommand*{\floatcontentsright}%
  {\let\chemsch@everyfloat\raggedleft}
\let\chemsch@floatboxreset\@floatboxreset
\floatcontentsleft
\def\@floatboxreset{\chemsch@everyfloat\chemsch@floatboxreset}
%    \end{macrocode}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%
%\subsection{\texttt{babel} support}
% To make the new float type work with |babel|, some alternative
% text is provided for non-English users.  First, we need to know if
% |babel| is loaded \emph{before} |chemscheme| or after, as this
% affects one if the hacks needed for French.
%    \begin{macrocode}
\newif  \ifchemsch@babel    \chemsch@babelfalse
\@ifpackageloaded{babel}
  {\chemsch@babeltrue}
  {}
%    \end{macrocode}
% There is then one hack to be made for French which has to be made
% before the beginning of the document \emph{if} |babel| is loaded
% before |chemscheme|.  This is only needed when |memoir| is not in
% use.  So there is a run of tests to see if the conditions for the
% hack are met.  |babel| support for French needs two name checks,
% \emph{zut alors}!
%    \begin{macrocode}
\@ifclassloaded{memoir}
  {}
  {\@ifpackageloaded{babel}
  {\IfLanguageName{french}
    {\let\floatc@plain\FB@makecaption}
    {\IfLanguageName{frenchb}
      {\let\floatc@plain\FB@makecaption}
      {}}}
  {}}
%    \end{macrocode}
% The definition of new stings is delayed until the beginning of the
% document, so that things work if |babel| is loaded after
% |chemscheme|.  The multiple language names mean quite a bit of
% repetition here.
%    \begin{macrocode}
\AtBeginDocument{%
  \@ifpackageloaded{babel}{%
    \addto{\captionsngerman}{\renewcommand*{\schemename}{Schema}}
    \addto{\captionsngerman}%
      {\renewcommand*{\listschemename}{Schemenverzeichnis}}
    \addto{\captionsgerman}{\renewcommand*{\schemename}{Schema}}
    \addto{\captionsgerman}%
      {\renewcommand*{\listschemename}{Schemenverzeichnis}}
%    \end{macrocode}
% French settings.  |babel| also changes some style parameters here,
% so |chemscheme| tries to match this.
%    \begin{macrocode}
    \addto{\captionsfrench}%
      {\renewcommand*{\schemename}{\scshape Sch\`eme}}
    \addto{\captionsfrench}%
      {\renewcommand*{\listschemename}{Table des sch\`emes}}
    \addto{\captionsfrenchb}%
      {\renewcommand*{\schemename}{\scshape Sch\`eme}}
    \addto{\captionsfrenchb}%
      {\renewcommand*{\listschemename}{Table des sch\`emes}}
%    \end{macrocode}
% To make these changes, |babel| has to be instructed to reload the current
% language.
%    \begin{macrocode}
    \expandafter\selectlanguage\expandafter{\languagename}
%    \end{macrocode}
% If |babel| was loaded after |chemscheme|, and the document is in
% French, then the non-|memoir| patch for floats is needed here.
% This is the same one described earlier, which cannot be delayed to
% here if |babel| is loaded first.
%    \begin{macrocode}
    \@ifclassloaded{memoir}
      {}
      {\IfLanguageName{french}
        {\ifchemsch@babel\else
          \let\floatc@plain\FB@makecaption
        \fi}
        {\IfLanguageName{frenchb}
          {\ifchemsch@babel\else
            \let\floatc@plain\FB@makecaption
          \fi}
          {}}}
      {}
  }{}
}
%    \end{macrocode}
%
%\subsection{Reference numbers in graphics}
%\begin{macro}{\schemerefmarker}
%\changes{v1.3}{2007/10/04}{Name change}
%\begin{macro}{\schemerefformat}
%\changes{v1.3}{2007/10/04}{Name change}
% The two macros \cmd{\schemerefmarker} and \cmd{\schemerefformat}
% are used to allow customisation of the behaviour of the package.
% Here defaults are provided.
%    \begin{macrocode}
\newcommand*{\schemerefmarker}{TMP}
\newcommand*{\schemerefformat}{\textsf}
%    \end{macrocode}
%\end{macro}
%\end{macro}
%\begin{macro}{\chemsch@label}
% Depending on the user options provided, either |bpchem| or
% |chemcompounds| is loaded to manage chemical citations.  The macro
% \cmd{\chemsch@label} is defined as the labelling command of the
% appropriate package.
%    \begin{macrocode}
\ifchemsch@bpchem
  \RequirePackage{bpchem}
  \let\chemsch@label\CNlabel
\else
  \RequirePackage{chemcompounds}
  \let\chemsch@label\compound
\fi
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\chemsch@num}
% A counter is needed for automatic substitution of reference
% numbers.  This has to be a TeX count, rather than a LaTeX counter,
% as it has to be local.
%    \begin{macrocode}
\newcount\chemsch@num
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\schemeref}
%\changes{v1.3}{2007/10/04}{New macro}
% The user macro for referencing a compound in a graphic. First the
% automatic counter is incremented.
%    \begin{macrocode}
\newcommand*{\schemeref}{%
  \advance\chemsch@num\@ne%
%    \end{macrocode}
% Now the presence of an optional argument is tested for.  If there
% is not one, the value of the automatic counter is used.
%    \begin{macrocode}
  \@ifnextchar[%
    {\chemsch@schemeref}
    {\chemsch@schemeref[\schemerefmarker\the\chemsch@num]}
}
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\chemsch@schemeref}
% The internal command to substitute the temporary marker by
% the automatic label text.  The use of |[b][b]| ensures that
% the new text is centred on the position of the marker.
%    \begin{macrocode}
\def\chemsch@schemeref[#1]#2{%
  \wlog{Replaing #1 by #2}%
  \psfrag{#1}[b][b]%
  {\schemerefformat{\chemsch@label{#2}}}%
}
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\chemsch@schemerefsub}
% For sub-referencing using |bpchem|, a similar macro is needed using
% the \cmd{\CNlabelsub} command.  This is defined here, with the user
% macro later.
%    \begin{macrocode}
\def\chemsch@schemerefsub[#1]#2#3{%
  \psfrag{#1}[b][b]%
  {\schemerefformat{\CNlabelsub{#2}{#3}}}%
}
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\chemschemeref}
%\changes{v1.3}{2007/10/04}{Converted to a wrapper for
%  \cs{schemeref}}
% The \cmd{\chemschemeref} is now a backward-compatibility wrapper
% for \cmd{\schemeref}.
%    \begin{macrocode}
\newcommand*{\chemschemeref}[1]{%
  \schemeref[#1]%
}
%    \end{macrocode}
%\end{macro}
%\begin{macro}{\schemerefsub}
%\changes{v1.3}{2007/10/04}{New macro}
%\begin{macro}{\chemschemerefsub}
%\changes{v1.3}{2007/10/04}{Now a wrapper for \cs{schemerefsub}}
% The user sub-referencing macro is defined in a package-dependent
% manner.  If |bpchem| is loaded, then \cmd{\schemerefsub} works in
% the same way as \cmd{\schemeref}, but calling the |sub| version of
% the internal macro.
%    \begin{macrocode}
\ifchemsch@bpchem
  \newcommand*{\schemerefsub}{%
    \advance\chemsch@num\@ne%
    \@ifnextchar[%
      {\chemsch@schemerefsub}
      {\chemsch@schemerefsub[\schemerefmarker\the\chemsch@num]}
  }
%    \end{macrocode}
% Once again, backward compatibility is maintained.
%    \begin{macrocode}
  \newcommand*{\chemschemerefsub}[1]{%
    \schemerefsub[#1]%
  }
%    \end{macrocode}
% If |chemcompounds| is in use, then the sub-reference commands
% gobble the arguments given.  The automatic counter is still
% incremented, so that things stay (reasonably) logical.
%    \begin{macrocode}
\else
  \newcommand*{\schemerefsub}[3][]{%
    \advance\chemsch@num\@ne%
    \PackageWarning{chemscheme}%
    {`chemcompound' option active\MessageBreak
      Command \protect\chemschemerefsub\space not used \MessageBreak
      Please alter your source to \MessageBreak
      \protect\chemschemeref}}
  \newcommand*{\chemschemerefsub}[1]{\schemerefsub}%
\fi
%    \end{macrocode}
%\end{macro}
%\end{macro}
% \iffalse
%</package>
% \fi
% \PrintChanges
% \PrintIndex
% \Finale
%\iffalse
% From here on, the |.dtx| contains support files for the
% documentation.
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%%Trailer
showpage
%</scheme>
%<*bib>
@book{Goossens2007,
  author =       {Michel Goossens and Frank Mittelbach and Sebastian Rahtz and Denis Roegel},
  title =        {The LaTeX Graphics Companion},
  subtitle =     {Illustrating Documents with TeX and Postscript},
  publisher =    {Addison Wesley},
  year =         {2007},
  series =       {Tools and Techniques for Computer Typesetting},
  edition =      {2},
}
%</bib>
%<*jawltxdoc>
% The following is convenient method for collecting together package
% loading, formatting commands and new macros used to format |dtx|
% files written by the current author.  It is based on the similar
% files provided by Will Robertson in his packages and Heiko Oberdiek
% as a stand-alone package.  Notice that it is not intended for other
% users: there is no error checking!  However, it is covered by the
% LPPL in the same way as the rest of this package.
%
\NeedsTeXFormat{LaTeX2e}
\ProvidesPackage{jawltxdoc}
  [2007/10/04 v1.0a]
% First of all, a number of support packages are loaded.
\usepackage[T1]{fontenc}
\usepackage[english,UKenglish]{babel}
\usepackage[scaled=0.95]{helvet}
\usepackage[version=3]{mhchem}
\usepackage[final]{microtype}
\usepackage{mathpazo,booktabs,array,url,graphicx,courier,unitsdef}
\usepackage{upgreek,ifpdf,listings}
% If using PDFLaTeX, the source will be attached to the PDF. This
% is basically the system used by Heiko Oberdiek, but with a check
% that PDF mode is enabled.
\ifpdf
  \usepackage{embedfile}
  \embedfile[%
    stringmethod=escape,%
    mimetype=plain/text,%
    desc={LaTeX docstrip source archive for package `\jobname'}%
    ]{\jobname.dtx}
\fi
\usepackage{\jobname}
\usepackage[numbered]{hypdoc}
%
% To typeset examples, a new environment is needed.  The code below
% is based on that in used by |listings|, but is modified to get
% better formatting for this context.  The formatting of the output
% is basically that in Will Robertson's |dtx-style| file.
\newlength\LaTeXwidth
\newlength\LaTeXoutdent
\newlength\LaTeXgap
\setlength\LaTeXgap{1em}
\setlength\LaTeXoutdent{-0.15\textwidth}
\def\typesetexampleandcode{%
  \begin{list}{}{%
    \setlength\itemindent{0pt}
    \setlength\leftmargin\LaTeXoutdent
    \setlength\rightmargin{0pt}
  }
  \item
    \setlength\LaTeXoutdent{-0.15\textwidth}
    \begin{minipage}[c]{\textwidth-\LaTeXwidth-\LaTeXoutdent-\LaTeXgap}
      \lst@sampleInput
    \end{minipage}%
    \hfill%
    \begin{minipage}[c]{\LaTeXwidth}%
      \hbox to\linewidth{\box\lst@samplebox\hss}%
    \end{minipage}%
  \end{list}
}
\def\typesetcodeandexample{%
  \begin{list}{}{%
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    \setlength\leftmargin{0pt}
    \setlength\rightmargin{0pt}
  }
  \item
    \begin{minipage}[c]{\LaTeXwidth}%
      \hbox to\linewidth{\box\lst@samplebox\hss}%
    \end{minipage}%
    \lst@sampleInput
  \end{list}
}
\def\typesetfloatexample{%
  \begin{list}{}{%
    \setlength\itemindent{0pt}
    \setlength\leftmargin{0pt}
    \setlength\rightmargin{0pt}
  }
  \item
    \lst@sampleInput
    \begin{minipage}[c]{\LaTeXwidth}%
      \hbox to\linewidth{\box\lst@samplebox\hss}%
    \end{minipage}%
  \end{list}
}
\def\typesetcodeonly{%
  \begin{list}{}{%
    \setlength\itemindent{0pt}
    \setlength\leftmargin{0pt}
    \setlength\rightmargin{0pt}
  }
  \item
    \begin{minipage}[c]{\LaTeXwidth}%
      \hbox to\linewidth{\box\lst@samplebox\hss}%
    \end{minipage}%
  \end{list}
}
\edef\LaTeXexamplefile{\jobname.tmp}
\lst@RequireAspects{writefile}
\newbox\lst@samplebox
\lstnewenvironment{LaTeXexample}[1][\typesetexampleandcode]{%
  \let\typesetexample#1
  \global\let\lst@intname\@empty
  \setbox\lst@samplebox=\hbox\bgroup
  \setkeys{lst}{language=[LaTeX]{TeX},tabsize=4,gobble=2,%
    breakindent=0pt,basicstyle=\small\ttfamily,basewidth=0.51em,%
    keywordstyle=\color{blue},%
% Notice that new keywords should be added here. The list is simply
% macro names needed to typeset documentation of the package
% author.
    morekeywords={bibnote,citenote,bibnotetext,bibnotemark,%
      thebibnote,bibnotename,includegraphics,schemeref,%
      floatcontentsleft,floatcontentsright,floatcontentscentre,%
      schemerefmarker,compound,schemerefformat,color,%
      startchemical,stopchemical,chemical,setupchemical,bottext,%
      listofschemes}}
  \lst@BeginAlsoWriteFile{\LaTeXexamplefile}
}{%
  \lst@EndWriteFile\egroup
  \setlength\LaTeXwidth{\wd\lst@samplebox}
  \typesetexample%
}
\def\lst@sampleInput{%
  \MakePercentComment\catcode`\^^M=10\relax
  \small%
  {\setkeys{lst}{SelectCharTable=\lst@ReplaceInput{\^\^I}%
    {\lst@ProcessTabulator}}%
    \leavevmode \input{\LaTeXexamplefile}}%
  \MakePercentIgnore%
}
\hyphenation{PDF-LaTeX}
%</jawltxdoc>
%\fi