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\chemfig{} 内的 \input{}

tag-icon • tag-icon tables environments input chemfig protected-macro
\chemfig{} 内的 \input{}

我可能忽略了一些基本的东西，希望得到一些提示。请参阅插图 mwe。

对于拥有一个 chemfig 符号库，我认为能够通过命令指向特定符号（存储在外部 .tex 文件中）很有价值\input{}，明显的构造是：\chemfig[][]{\input{<chemfig symbol library path>/{<symbol name>}}}。

\documentclass[preview,border=7pt,active,tightpage]{standalone}
\usepackage{booktabs}
\usepackage{chemfig}
\usepackage{filecontents} 
\usepackage[scaled]{helvet}

%\begin{filecontents}{methane.tex}
%H% 2
%    -[:210]% 1
%              (
%        -[:210]H% 3
%              )
%              (
%        -[:300]H% 5
%              )
%    -[:120]H% 4
%\end{filecontents}

% representation without comments
\begin{filecontents}{methane.tex}
H
    -[:210]
              (
        -[:210]H
              )
              (
        -[:300]H
              )
    -[:120]H
\end{filecontents}

\DeclareRobustCommand{\robustinputcommand}{\input{methane.tex}}

% sans serif font
\renewcommand\familydefault{\sfdefault} 

% define formulae
\def\methane{\mathrm{CH_{4}}}

\begin{document}
\begin{center}
\begin{tabular}[]{lp{1.5cm}}
\toprule
\textbf{Formula} & \textbf{Structure}\\
\midrule%
%$\methane$ & \begin{minipage}[]{1cm} \chemfig{\input{methane.tex}} \end{minipage} \\ [2mm]% gives error
%$\methane$ & \begin{minipage}[]{1cm} \chemfig{\protect\input{methane.tex}} \end{minipage} \\ [2mm]% gives error
%$\methane$ & \begin{minipage}[]{1cm} \chemfig{\robustinputcommand} \end{minipage} \\ [2mm]% gives error
\bottomrule
\end{tabular}
\end{center}
\end{document}

这是我持续观察到的错误：

! Undefined control sequence.
<everyeof> \_nil

我尝试了一些方法，特别是下面描述的方法这里。这些在 mwe 中有评论。

请注意，构造：（\input{<full file path>}文档级调用）和\chemfig[][]{<content defining symbol>}（外部文档的通用结构）工作正常，但这并不允许立即应用格式，例如[scale=0.5]作为文档级别的可选参数\chemfig- 能够做到这一点显然很有价值。

答案1

这是一个\chemfiginput也接受可选参数的命令，例如\chemfig。

% representation without comments
\begin{filecontents}{methane.tex}
H
    -[:210]
              (
        -[:210]H
              )
              (
        -[:300]H
              )
    -[:120]H
\end{filecontents}

\documentclass{article}
\usepackage{booktabs}
\usepackage{chemfig}
\usepackage[scaled]{helvet}
\usepackage{catchfile}


% sans serif font
\renewcommand\familydefault{\sfdefault} 

% define formulae
\newcommand\methane{\ensuremath{\mathrm{CH_{4}}}}

\newcommand{\chemfiginput}[2][]{%
  \CatchFileDef{\chemfiginputtemp}{#2}{\csname CF_sanitizecatcode\endcsname}%
  \expandafter\chemfigdo\expandafter{\chemfiginputtemp}{#1}%
}
\newcommand{\chemfigdo}[2]{\chemfig[#2]{#1}}

\begin{document}

\begin{tabular}[]{ll}
\toprule
\textbf{Formula} & \textbf{Structure}\\
\midrule
\methane & \chemfiginput{methane} \\
\methane & \chemfiginput[chemfig style={color=red!40!black, line width=1.5pt}]{methane} \\
\methane & \chemfig{H-[:210](-[:210]H)(-[:300]H)-[:120]H} \\
\bottomrule
\end{tabular}

\end{document}

在此处输入图片描述

答案2

\chemfig{将和包含}进去methane.tex而不是用它包围\input命令似乎有效：

在此处输入图片描述

\documentclass[preview,border=7pt,active,tightpage]{standalone}
\usepackage{booktabs}
\usepackage{chemfig}
\usepackage{filecontents} 
\usepackage[scaled]{helvet}
\usepackage{adjustbox}

\begin{filecontents}{methane.tex}
\chemfig{
H
    -[:210]
              (
        -[:210]H
              )
              (
        -[:300]H
              )
    -[:120]H}
\end{filecontents}


% sans serif font
\renewcommand\familydefault{\sfdefault} 

% define formulae
\def\methane{$\mathrm{CH_{4}}$}

\begin{document}
\begin{center}
\begin{tabular}[]{ll}
\toprule
\textbf{Formula} & \textbf{Structure}\\
\midrule
\methane & \adjustbox{valign=m}{\input{methane.tex}}\\ [2mm]
\bottomrule
\end{tabular}
\end{center}
\end{document}

答案3

\chemfig删除外部文件调用的棘手之处.tex在于，它会在读取其强制参数之前更改类别代码。为了解决这个问题，我使用包\CatchFileDef中的catchfile来保存 的内容，methane.tex并使用与 相同的类别代码设置\chemfig。

下面的代码是通用的，可以毫不费力地用于其他分子。Ti钾用于分子结构打印的 Z 选项可以在中心位置 ( \myprintmol) 指定，并且没有冗余tabular：只需用逗号分隔分子名称：

\documentclass{article}
\usepackage{booktabs}
\usepackage{array}              % for \newcolumntype
\usepackage{collcell}           % for \collectcell
\usepackage{chemfig}
\usepackage{filecontents}
\usepackage{catchfile}          % for \CatchFileDef
\usepackage{adjustbox}          % for \adjustbox
\usepackage{etoolbox}           % for \forcsvlist

% cf. <https://tex.stackexchange.com/a/98011/73317> (Ulrike Fischer)
\DeclareMathAlphabet{\mathup}{T1}{\familydefault}{m}{n}

\newcommand*{\mydeclaremolstruct}[1]{%
  \expandafter\CatchFileDef\expandafter{\csname #1struct\endcsname}{#1.tex}%
     {\csname CF_sanitizecatcode\endcsname}%
}

\newcommand*{\myprintmol}[1]{%
 \begingroup
  % Here, you can customize how molecule structure is printed (TikZ options)
  \setchemfig{chemfig style={color=red!40!black, line width=1.5pt}}%
  %
  \adjustbox{valign=M}{% To align with vertical center of the whole molecule
    \expandafter\chemfig\expandafter{#1}% Process tokenized contents from
  }%                                    % external per-molecule .tex files
  \endgroup
}

\begin{filecontents}{methane.tex}
H
    -[:210]
              (
        -[:210]H
              )
              (
        -[:300]H
              )
    -[:120]H
\end{filecontents}

\mydeclaremolstruct{methane}    % base name of the corresponding .tex file
\newcommand*{\methane}{\mathup{CH}_{4}}

% Special column type for representing the molecule structure
\newcolumntype{M}{>{\collectcell\myprintmol}c<{\endcollectcell}}

\newcommand*{\generatetableline}[1]{%
  $\csname #1\endcsname$ & \csname #1struct\endcsname \\
}

\begin{document}

\begin{tabular}{lM}
\toprule
\textbf{Formula} & \multicolumn{1}{c}{\textbf{Structure}}\\
\midrule
\forcsvlist{\generatetableline}{methane}%
%\forcsvlist{\generatetableline}{methane, ethane, propane}%
\bottomrule
\end{tabular}

\end{document}

截屏

以下是稍微简化的表格构造，但自动化程度也略低：

\documentclass{article}
\usepackage{booktabs}
\usepackage{array}              % for \newcolumntype
\usepackage{collcell}           % for \collectcell
\usepackage{chemfig}
\usepackage{filecontents}
\usepackage{catchfile}          % for \CatchFileDef
\usepackage{adjustbox}          % for \adjustbox

% cf. <https://tex.stackexchange.com/a/98011/73317> (Ulrike Fischer)
\DeclareMathAlphabet{\mathup}{T1}{\familydefault}{m}{n}

\newcommand*{\mydeclaremolstruct}[1]{%
  \expandafter\CatchFileDef\expandafter{\csname #1struct\endcsname}{#1.tex}%
     {\csname CF_sanitizecatcode\endcsname}%
}

\newcommand*{\myprintmol}[1]{%
 \begingroup
  % Here, you can customize how molecule structure is printed (TikZ options)
  \setchemfig{chemfig style={color=red!40!black, line width=1.5pt}}%
  %
  \adjustbox{valign=M}{% To align with vertical center of the whole molecule
    \expandafter\chemfig\expandafter{#1}% Process tokenized contents from
  }%                                    % external per-molecule .tex files
  \endgroup
}

\begin{filecontents}{methane.tex}
H
    -[:210]
              (
        -[:210]H
              )
              (
        -[:300]H
              )
    -[:120]H
\end{filecontents}

\mydeclaremolstruct{methane}    % base name of the corresponding .tex file
\newcommand*{\methane}{\mathup{CH}_{4}}

% Special column type for representing the molecule structure
\newcolumntype{M}{>{\collectcell\myprintmol}c<{\endcollectcell}}

\begin{document}

\begin{tabular}{>{$}l<{$}M}
\toprule
\textbf{Formula} & \multicolumn{1}{c}{\textbf{Structure}}\\
\midrule
\methane & \methanestruct \\
\bottomrule
\end{tabular}

\end{document}

（与上一张截图的输出相同）。

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