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|
% \iffalse meta-comment
%
% Copyright (C) 2007-08 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
% chemscheme.cdx
% and the derived files chemscheme.ins,
% chemscheme.sty,
% chemscheme.pdf,
% chemscheme-manual.pdf,
% chemscheme-demo.ltx,
% scheme-one.eps,
% scheme-two.eps,
% jawltxdoc.sty and
%
% TDS-ready files:
% The compressed file chemscheme.tds.zip contains an unpacked
% version of all of the files included here, and pre-compiled
% documentation in PDF format. Simply decompress
% chemscheme.tds.dtx in your local TeX directory, run your hash
% program (texhash, initexmf --update-fndb, etc.) and everything
% will be ready to go. The user documentation for the package is
% called chemscheme-manual.pdf; the file chemscheme.pdf includes
% the user manual and the fully-indexed source code.
%
% 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
% pdflatex chemscheme.dtx
% (b) With write18 enabled:
% latex chemscheme.dtx
% (Comment out "inactive" line in driver where indicated)
% latex chemscheme.dtx
% pdflatex chemscheme.dtx
% pdflatex chemscheme.dtx
% pdflatex chemscheme.dtx
%
% Installation:
% Copy chemscheme.sty and the various .cfg files to a location
% searched by TeX, and if required by your TeX installation, run
% the appropriate command to build a hash of files (texhash,
% initexmf --update-fndb, etc.)
%
% Note:
% The jawltxdoc.sty file is not needed for installation,
% only for building the documentation; it may be deleted
% after producing the documentation (if necessary).
%
%<*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 chemstyle bundle --- Schemes and style for chemistry
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:}
\generate{\file{jawltxdoc.sty}{\from{\jobname.dtx}{jawltxdoc}}
}
\usedir{tex/latex/chemstyle}
\generate{\file{\jobname.sty}{\from{\jobname.dtx}{package}}
}
\usedir{source/latex/chemstyle}
\generate{\file{\jobname.ins}{\from{\jobname.dtx}{install}}
}
\nopreamble
\usedir{doc/latex/chemstyle}
\generate{\file{\jobname.bib}{\from{\jobname.dtx}{refs}}
}
\nopreamble\nopostamble
\usedir{doc/latex/chemstyle}
\generate{\file{scheme-one.eps}{\from{\jobname.dtx}{scheme}}
\file{scheme-two.eps}{\from{\jobname.dtx}{scheme,labels}}
\file{chemscheme-demo.ltx}{\from{\jobname.dtx}{demo}}
}
\endbatchfile
%</install>
%<*ignore>
\fi
% Will Robertson's trick
\immediate\write18{bibtex8 --wolfgang \jobname}
\immediate\write18{makeindex -s gind.ist -o \jobname.ind \jobname.idx}
\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>
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\PassOptionsToClass{a4paper}{article}
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\EnableCrossrefs
\CodelineIndex
\RecordChanges
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% A bit of one-off trickery for this package
% Use the method described in the documentation if you
% want to compile this DTX using PDFLaTeX
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% Comment out the next line when using PDFLaTeX after the initial
% LaTeX run!
% ,inactive
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%</driver>
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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}
%\changes{v1.4}{2008/06/24}{Added support for \pkg{floatrow}}
%
%\setkeys{lst}{language=[LaTeX]{TeX},moretexcs={}}
%
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%\DoNotIndex{\@ifpackageloaded,\@ifundefined,\@ne,\@tempa,\@tempb}
%\DoNotIndex{\@undefined,\‘,\addto,\addtocontents,\addtodef}
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%
% \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
%
%\newcommand*{\flttype}[1]{\texttt{#1}}
%\begin{abstract}
% The \currpkg package consists of two parts, both related to
% chemical schemes. The package adds a \flttype{scheme} float type
% to the \LaTeX\ default types \flttype{figure} and \flttype{table}.
% The \flttype{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, \flttype{figure} and
% \flttype{table}. Synthetic chemists make heavy use of schemes,
% which need a \flttype{scheme} float type. This is provided by
% \currpkg, 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 \pkg{bpchem} and \pkg{chemcompounds}. However, adding
% numbers automatically to schemes is not covered by any existing
% package. The \currpkg 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}[float]
% \begin{scheme}[ht]
% \includegraphics{scheme-one}
% \caption{A scheme with no compound numbers.}
% \end{scheme}
%\end{LaTeXexample}
% The \flttype{scheme} float is designed to behave in the same way as
% the standard \LaTeX\ float environments \flttype{figure} and
% \flttype{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. \currpkg 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
% \pkg{memoir} are being used.
%
%\DescribeMacro{\listofschemes}
%\DescribeMacro{\listschemename}
% To match the \cs{listoffigures} and \cs{listoftables} macros
% provided by the \LaTeX\ kernel, \currpkg provides a
% \cs{listofschemes} command. This works in the same way as the
% kernel commands, with the default text stored in the macro
% \cs{listschemename}. Users upgrading from version 1.1 should note
% the change of macro name (from \cs{listscheme}). This is to bring
% \currpkg into line with the \LaTeX\ kernel naming convention. Also
% notice that \cs{listofschemes} no longer accepts an optional
% argument. The standard output is illustrated below.
%\begin{LaTeXexample}[resultonly]
% \listofschemes
%\end{LaTeXexample}
%
%\subsection{Altering the defaults}
%\DescribeOption{floats}
% There are a number of methods available to generate new float
% types. The \pkg{memoir} class can do this internally, or the
% \pkg{float} or \pkg{floatrow} packages can be loaded to provide the
% necessary system. When \pkg{memoir} is used, \currpkg uses the
% internal systems for generating new floats; for the standard
% classes, \pkg{floatrow} is used by default. The \opt{floats}
% package option can be used to control which method is employed.
% This uses the key--value system, can be given the values
% \opt{float}, \opt{floatrow} or \opt{memoir}:
%\begin{LaTeXexample}[noexample]
% \usepackage[floats=float]{chemscheme}
%\end{LaTeXexample}
% or
%\begin{LaTeXexample}[noexample]
% \usepackage[floats=floatrow]{chemscheme}
%\end{LaTeXexample}
% or
%\begin{LaTeXexample}[noexample]
% \usepackage[floats=memoir]{chemescheme}
%\end{LaTeXexample}
% The package will use the specified method if available (so
% \opt{memoir} only works if using the \pkg{memoir} class!). If
% either \pkg{float} or \pkg{floatrow} is loaded before \currpkg,
% this forces the choice.
%
%\DescribeMacro{\schemename}
% \cs{schemename} contains the text used in scheme captions (by
% default \schemename). This is used in the same manner as
% \cs{figurename} or \cs{tablename} to set up the text used in scheme
% captions.
%\begin{LaTeXexample}[float]
% \renewcommand*{\schemename}{Illustration}
% \begin{scheme}[ht]
% \includegraphics{scheme-one}
% \caption{A scheme that is not a Scheme!}
% \end{scheme}
%\end{LaTeXexample}
%
%
%\subsection{\pkg{babel} support}
% Schemes are provided with some support for \pkg{babel}. Currently,
% in addition to English, \currpkg provides alternatives for
% \cs{schemename} and \cs{listschemename} in French and German. Users
% of other languages are encouraged to supply suitable translations
% for inclusion in future versions of \currpkg.
%
%\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 \currpkg package
% therefore provides commands to align all float contents
% automatically. As the macro names make clear,
% \cs{floatcontentscentre} will make all floats centred (for users
% speaking U.S.~English, the alternative spelling
% \cs{floatcontentscenter} is also available). The default behaviour
% is restored using the command \cs{floatcontentsleft}. Finally,
% \cs{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}[float]
% \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 \pkg{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 \CTAN\ for tracking
% compound reference numbers. The two with the most up to date and
% comprehensive features are \pkg{bpchem} and \pkg{chemcompounds}.
% Both allow in-text numbering to be handled automatically. However,
% neither will allow the use of these numbers directly in schemes,
% figures, \etc. Both leave it to the user to manually adapt schemes
% to match any changes in numbering.
%
% The \currpkg package provides a mechanism for rectifying this
% issue. The package makes use of the \pkg{psfrag} package, which
% means that it can only directly produce DVI output (using \LaTeX).
% However, direct PDF output using PDF\LaTeX\ is possible: see
% Section~\ref{subsec:pdf}.
%
%\DescribeMacro{\chemschemeref}
%\DescribeMacro{\chemschemerefsub}
% Users upgrading from v1.2 should note that ``\texttt{chem}'' has
% been removed from the start of most macro names. The main
% referencing commands \cs{chemschemeref} and \cs{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
% \cs{schemerefmarker}, and has default value
% \textsf{\schemerefmarker}. Thus the graphics should contain labels
% \textsf{\schemerefmarker1}, \textsf{\schemerefmarker2}, \etc. A
% suitable unmodified graphic is shown in in the next example.
%\begin{LaTeXexample}[float]
% \begin{scheme}[ht]
% \includegraphics{scheme-two}
% \caption{A scheme with temporary compound numbers.}
% \end{scheme}
%\end{LaTeXexample}
% The value of \cs{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}[noexample]
% \renewcommand*{\schemerefmarker}{XXX}
%\end{LaTeXexample}
%
%\DescribeMacro{\schemeref}
% In the second step, the command \cs{schemeref} is used to indicate
% the mapping of the temporary markers to the automatically-managed
% numbering. The syntax of the command is
% \cs{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, \currpkg 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 \cs{chemschemeref}, all of which should appear
% before the relevant \cs{includegraphics} command.
%
% An example will make usage clearer. In the example used in this
% document, the starting material is given label \texttt{IMesHCl} and
% the product is called \texttt{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}[float]
% \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}[float]
% \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}, \currpkg supports
% \pkg{bpchem}, which allows tracking of sub-labels (\textbf{1a},
% \textbf{1b}, \etc). To allow use of these in schemes, the
% \cs{schemerefsub} command is provided. This takes an additional
% argument \marg{sub-label}, which is used to generate the
% appropriate text. When used with \pkg{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, \pkg{bpchem} or \pkg{chemcompounds}. However, it is
% useful to be able to specify additional formatting for schemes. By
% default, \currpkg formats all reference numbers in a sans serif
% font. This is controlled by \cs{schemerefformat}.
%\begin{LaTeXexample}[float]
% % 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 \cs{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
% \pkg{helvet} package, loaded scaled to 95\,\%, \ie:
%\begin{LaTeXexample}[noexample]
% \usepackage[scaled=0.95]{helvet}
%\end{LaTeXexample}
% The \textsc{ChemDraw} file used to generate the example schemes is
% included with the package as \file{chemscheme.cdx}.
%
%\iffalse
%<*demo>
%\fi
%\subsection{\currpkg and
% \texorpdfstring{PDF\LaTeX}{PDFLaTeX}\label{subsec:pdf}}
% The automatic substitution of numbers in graphics relies on the the
% \pkg{psfrag} package. This works with \textsc{PostScript} files,
% and cannot therefore be used with PDF\LaTeX. However, all is not
% lost as the \pkg{pst-pdf} package provides a method for including
% \textsc{PostScript} files in a PDF\LaTeX\ 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 PDF\LaTeX\
% with \currpkg.
% \begin{macrocode}
\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{macrocode}
%\iffalse
%</demo>
%\fi
%
% 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 \opt{inactive} option \pkg{pst-pdf}
% removed so that the modified pictures are extracted.\footnote{You
% can simply do the first \LaTeX\ run without loading \pkg{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 PDF\LaTeX\ 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}}
%\DescribeOption{bpchem}
%\DescribeOption{chemcompounds}
%\DescribeOption{tracking}
% The \currpkg package can use one of two packages for management of
% chemical numbering: \pkg{bpchem} and \pkg{chemcompounds}. As of
% v1.3, \pkg{chemcompounds} is the default package for managing
% reference numbers.\footnote{The change from \pkg{bpchem} is due to
% issues with \pkg{hyperref} support. The method used by
% \pkg{bpchem} to generate compound labels means that they are made
% into hyperlinks by \pkg{hyperref}, and therefore end up coloured
% when using the \opt{colorlinks} option. This is unlikely to be the
% desired effect, and \pkg{chemcompounds} does not behave in this
% way.} Both packages have advantages: \pkg{bpchem} allows the
% tracking of sub-references (very common in organic chemistry),
% whilst \pkg{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, \currpkg
% loads only one package, and uses this package to provide numbering
% management. The \currpkg package recognises the \opt{bpchem} and
% \opt{chemcompounds} to control this; the key--value version
% \opt{tracking=\ldots} can also be given.
%
%\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
% \etal~\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 \pkg{pgf}/Ti\emph{k}z. 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: XyM\TeX\ and ppch\TeX. Recent versions of
% the XyM\TeX\ package have not been made available on \CTAN, and the
% version held there is therefore considered to be obsolete. On the
% other hand, the ppch\TeX\ system, developed originally for
% Con\TeX{}t, 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}, \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 \pkg{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 \pkg{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 \pkg{babel} strings are also welcome, as
% are improvements to those already provided.
%
% \StopEventually{\bibliographystyle{unsrt}\bibliography{chemscheme}}
%
% \iffalse
%<*package>
% \fi
%
% \section{Implementation}
%
% \subsection{Setup code}
%\begin{macro}{\csh@id}
% The initial code goes through the usual steps of identifying the
% package.
% \begin{macrocode}
\NeedsTeXFormat{LaTeX2e}
\def\csh@id$#1: #2.#3 #4 #5-#6-#7 #8 #9${%
#5/#6/#7\space v1.4a\space}
\ProvidesPackage{chemscheme}
[\csh@id $Id: chemscheme.dtx 48 2008-07-31 19:22:43Z joseph $
Support for chemical schemes]
% \end{macrocode}
%\end{macro}
%\changes{v1.4}{2008/06/19}{Option handling completely re-written}
%\begin{macro}{\ifcsh@bpchem}
% Package options are handled using the key--value method, with
% \pkg{kvoptions} providing the back-end. Most of the code here is
% pretty basic; the aim is to set up the correct handling of
% float-creation and compound tracking.
% \begin{macrocode}
\RequirePackage{kvoptions,psfrag,iflang}
\SetupKeyvalOptions{
family=csh,
prefix=csh@}
\newif\ifcsh@bpchem
\define@key{csh}{tracking}
{\csh@bpchemtrue
\lowercase{\edef\@tempa{#1}}%
\def\@tempb{bpchem}%
\ifx\@tempa\@tempb\else
\def\@tempb{chemcompounds}%
\ifx\@tempa\@tempb
\csh@bpchemfalse
\else
\PackageError{chemscheme}
{Unknown value `#1' for option numbers}
{The `tracking' option accepts values `bpchem'
and `chemcompounds'}%
\fi
\fi}
\DeclareVoidOption{chemcompounds}{\csh@bpchemfalse}
\DeclareVoidOption{bpchem}{\csh@bpchemtrue}
\DeclareVoidOption{chapter}
{\PackageInfo{chemscheme}
{Ignoring obsolete option `chapter'}}
% \end{macrocode}
%\end{macro}
%\begin{macro}{\csh@fltpkg}
% The provision of floats can be handled by \pkg{floatrow},
% \pkg{float} or \pkg{memoir}. The user is given an option, but if
% one of the packages is already loaded then this has to be taken
% into account.
% \begin{macrocode}
\define@key{csh}{floats}
{\lowercase{\renewcommand*{\csh@fltpkg}{#1}}%
\def\@tempa{floatrow}%
\ifx\csh@fltpkg\@tempa\else
\def\@tempa{float}%
\ifx\csh@fltpkg\@tempa\else
\def\@tempa{memoir}%
\ifx\csh@fltpkg\@tempa
\@ifclassloaded{memoir}{}
{\PackageWarning{chemscheme}
{You asked for floats to be created using memoir,
\MessageBreak but have used a different document
class\MessageBreak Using floatrow instead}%
\renewcommand*{\csh@fltpkg}{floatrow}}%
\else
\PackageError{chemscheme}
{Unknown value `#1' for option numbers}
{The `floats' option accepts values `float',
`floatrow' and `memoir'}%
\fi
\fi
\fi}
\@ifpackageloaded{floatrow}
{\newcommand*{\csh@fltpkg}{floatrow}%
\define@key{csh}{floats}
{\PackageInfo{chemscheme}{Package floatrow already
loaded\MessageBreak Option `floats' disabled}}}
{\@ifpackageloaded{float}
{\newcommand*{\csh@fltpkg}{float}%
\define@key{csh}{floats}
{\PackageInfo{chemscheme}{Package float already
loaded\MessageBreak Option `floats' disabled}}}
{\@ifclassloaded{memoir}
{\newcommand*{\csh@fltpkg}{memoir}}
{\newcommand*{\csh@fltpkg}{floatrow}}}}
\ProcessKeyvalOptions{csh}
% \end{macrocode}
%\end{macro}
%\changes{v1.4}{2008/06/20}{Float creation rewritten}
%\begin{macro}{\csh@load@memoir}
%\begin{macro}{\csh@load@float}
%\begin{macro}{\csh@load@floatrow}
% The necessary support is loaded by using an appropriately-named
% macro. For \pkg{memoir}, nothing actually has to be done.
% \begin{macrocode}
\newcommand*{\csh@load@memoir}{}
\newcommand*{\csh@load@float}{%
\@ifpackageloaded{float}{}
{\let\newfloat\@undefined}
\RequirePackage{float,caption}}
\newcommand*{\csh@load@floatrow}{%
\@ifpackageloaded{floatrow}{}
{\let\newfloat\@undefined}
\RequirePackage{floatrow,caption}}
\csname csh@load@\csh@fltpkg\endcsname
% \end{macrocode}
%\end{macro}
%\end{macro}
%\end{macro}
%
%\subsection{Support for schemes}
%\begin{macro}{\schemename}
%\begin{macro}{\listschemename}
%\changes{v1.2}{2007/08/18}{Replaces \cs{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; unlike the kernel versions,
% however, these macros are not \cs{long}.
% \begin{macrocode}
\newcommand*{\schemename}{Scheme}
\newcommand*{\listschemename}{List of Schemes}
% \end{macrocode}
%\end{macro}
%\end{macro}
%\begin{environment}{scheme}
%\begin{macro}{\listofschemes}
%\begin{macro}{\csh@makesch@memoir}
%\begin{macro}{\csh@mksch@memoir}
%\begin{macro}{\csh@makesch@float}
%\begin{macro}{\csh@mksch@float}
%\begin{macro}{\csh@makesch@floatrow}
% As with package loading, three different macros are defined here to
% create the new float type. As well as the basics of creating the
% float, some work is needed as adjustments must be made to match the
% style of the kernel floats. For the \pkg{floatrow} package, things
% have to be done in the preamble, whereas for the others everything
% happens later.
% \begin{macrocode}
\newcommand*{\csh@makesch@memoir}{%
\AtBeginDocument{\csh@mksch@memoir}}
\newcommand*{\csh@mksch@memoir}{%
\newfloat[chapter]{scheme}{los}{\schemename}
\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
\newlistof{listofschemes}{los}{\listschemename}
\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}}{}}
\newcommand*{\csh@makesch@float}{%
\AtBeginDocument{\csh@mksch@float}}
\newcommand*{\csh@mksch@float}{%
\@ifundefined{chapter}
{\newfloat{scheme}{tbp}{los}}
{\newfloat{scheme}{tbp}{los}[chapter]%
\csh@fixchapter}%
\floatname{scheme}{\schemename}
\newcommand*{\listofschemes}{%
\listof{scheme}{\listschemename}}}
% \end{macrocode}
%\changes{v1.4a}{2008/07/31}{Fixed bug with float definition, \pkg{floatrow}
% and chapters}
% Using \pkg{floatrow}, the definition depends on whether chapters
% are in use.
% \begin{macrocode}
\newcommand*{\csh@makesch@floatrow}{%
\@ifundefined{chapter}
{\DeclareNewFloatType{scheme}
{fileext=los,placement=tbp,name=Scheme}}
{\DeclareNewFloatType{scheme}
{fileext=los,placement=tbp,name=Scheme,within=chapter}%
\csh@fixchapter}%
\newcommand*{\listofschemes}{%
\listof{scheme}{\listschemename}}}
% \end{macrocode}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%\begin{macro}{\csh@fixchapter}
%\begin{macro}{\csh@chapter}
%\begin{macro}{\@chapter}
% When not using \pkg{memoir}, chapters may or may not be defined.
% This means a little extra work.
% \begin{macrocode}
\newcommand*{\csh@fixchapter}{%
\@ifundefined{KOMAScriptVersion}
{\renewcommand*{\thescheme}{%
\ifnum\c@chapter>\z@ \thechapter.\fi \@arabic\c@scheme}}
{}%
\let\csh@chapter\@chapter
\renewcommand{\@chapter}{%
\addtocontents{los}{\protect\addvspace{10\p@}}%
\csh@chapter}}
% \end{macrocode}
%\end{macro}
%\end{macro}
%\end{macro}
% The appropriate creation macro is now called.
% \begin{macrocode}
\csname csh@makesch@\csh@fltpkg\endcsname
% \end{macrocode}
%\end{macro}
%\end{environment}
%
%\subsection{Positioning float contents}
%\begin{macro}{\floatcontentscentre}
%\begin{macro}{\floatcontentscenter}
%\begin{macro}{\floatcontentsleft}
%\begin{macro}{\floatcontentsright}
% When using \pkg{floatrow}, centring all floats is easy. This is
% not the case for other methods, and so some macros are provided.
% The definitions depend on whether \pkg{floatrow} is in use.
% \begin{macrocode}
\def\@tempa{floatrow}
\ifx\@tempa\csh@fltpkg
\newcommand*{\floatcontentscentre}{%
\floatsetup{objectset=centering}}
\newcommand*{\floatcontentscenter}{%
\floatsetup{objectset=centering}}
\newcommand*{\floatcontentsright}{%
\floatsetup{objectset=raggedleft}}
\newcommand*{\floatcontentsleft}{%
\floatsetup{objectset=raggedright}}
% \end{macrocode}
%\begin{macro}{\csh@floatboxreset}
%\begin{macro}{\@floatboxreset}
%\begin{macro}{\csh@everyfloat}
% When \pkg{floatrow} is not in use, then a low-level hack of
% \cs{@floatboxtreset} is used.
% \begin{macrocode}
\else
\let\csh@floatboxreset\@floatboxreset
\renewcommand*{\@floatboxreset}{%
\csh@everyfloat
\csh@floatboxreset}
\newcommand*{\floatcontentscentre}{%
\let\csh@everyfloat\centering}
\newcommand*{\floatcontentscenter}{%
\let\csh@everyfloat\centering}
\newcommand*{\floatcontentsleft}{%
\let\csh@everyfloat\relax}
\newcommand*{\floatcontentsright}{%
\let\csh@everyfloat\raggedleft}
\fi
\floatcontentsleft
% \end{macrocode}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%\end{macro}
%
%\subsection{\pkg{babel} support}
%\begin{macro}{\ifcsh@babel}
% To make the new float type work with \pkg{babel}, some alternative
% text is provided for non-English users. First, we need to know if
% \pkg{babel} is loaded \emph{before} \currpkg or after, as this
% affects one if the hacks needed for French.
% \begin{macrocode}
\newif\ifcsh@babel
\@ifpackageloaded{babel}
{\csh@babeltrue}
{}
% \end{macrocode}
%\end{macro}
%\begin{macro}{\floatc@plain}
% There is then one hack to be made for French which has to be made
% before the beginning of the document \emph{if} \pkg{babel} is
% loaded before \currpkg. This is only needed when \pkg{memoir} is
% not in use. So there is a run of tests to see if the conditions
% for the hack are met. \pkg{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}
%\end{macro}
% The definition of new stings is delayed until the beginning of the
% document, so that things work if \pkg{babel} is loaded after
% \currpkg. 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. \pkg{babel} also changes some style parameters here,
% so \currpkg 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, \pkg{babel} has to be instructed to reload the current
% language.
% \begin{macrocode}
\expandafter\selectlanguage\expandafter{\languagename}
% \end{macrocode}
% If \pkg{babel} was loaded after \currpkg, and the document is in
% French, then the non-\pkg{memoir} patch for floats is needed here.
% This is the same one described earlier, which cannot be delayed to
% here if \pkg{babel} is loaded first.
% \begin{macrocode}
\@ifclassloaded{memoir}{}
{\IfLanguageName{french}
{\ifcsh@babel\else
\let\floatc@plain\FB@makecaption
\fi}
{\IfLanguageName{frenchb}
{\ifcsh@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 \cs{schemerefmarker} and \cs{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}{\csh@label}
% Depending on the user options provided, either \pkg{bpchem} or
% \pkg{chemcompounds} is loaded to manage chemical citations. The macro
% \cs{chemsch@label} is defined as the labelling command of the
% appropriate package.
% \begin{macrocode}
\ifcsh@bpchem
\RequirePackage{bpchem}
\let\csh@label\CNlabel
\else
\RequirePackage{chemcompounds}
\let\csh@label\compound
\fi
% \end{macrocode}
%\end{macro}
%\begin{macro}{\csh@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\csh@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\csh@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[%]
{\csh@schemeref}
{\csh@schemeref[\schemerefmarker\the\csh@num]}}
% \end{macrocode}
%\end{macro}
%\begin{macro}{\csh@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\csh@schemeref[#1]#2{%
\psfrag{#1}[b][b]
{\schemerefformat{\csh@label{#2}}}}
% \end{macrocode}
%\end{macro}
%\begin{macro}{\csh@schemerefsub}
% For sub-referencing using \pkg{bpchem}, a similar macro is needed
% using the \cs{CNlabelsub} command. This is defined here, with the
% user macro later.
% \begin{macrocode}
\def\csh@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 \cs{chemschemeref} is now a backward-compatibility wrapper for
% \cs{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 \pkg{bpchem} is loaded, then \cs{schemerefsub} works in
% the same way as \cs{schemeref}, but calling the |sub| version of
% the internal macro.
% \begin{macrocode}
\ifcsh@bpchem
\newcommand*{\schemerefsub}{%
\advance\csh@num\@ne
\@ifnextchar[%]
{\csh@schemerefsub}
{\csh@schemerefsub[\schemerefmarker\the\csh@num]}}
\newcommand*{\chemschemerefsub}[1]{\schemerefsub[#1]}
% \end{macrocode}
% If \pkg{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\csh@num\@ne
\PackageWarning{chemscheme}
{`chemcompound' option active\MessageBreak
Command \string\chemschemerefsub\space not used
\MessageBreak Please alter your source to \MessageBreak
\string\chemschemeref}}
\newcommand*{\chemschemerefsub}{\schemerefsub}
\fi
% \end{macrocode}
%\end{macro}
%\end{macro}
% \iffalse
%</package>
% \fi
% \PrintChanges
% \PrintIndex
% \Finale
%\iffalse
%<*scheme>
%!PS-Adobe-2.0 EPSF-1.2
%%Creator: ChemDraw Std(tm) 10.0
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%<labels>%%Title: scheme-two.eps
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%<*refs>
@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},
}
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{\ttfamily\makebox[0pt][r]{[}%
\char`\#\theargument]:~}#1\par\noindent\ignorespaces}
%</jawltxdoc>
%\fi
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