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Diffstat (limited to 'Master')
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/README | 4 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex | 34 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf | bin | 829839 -> 828677 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex | 52 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf | bin | 813811 -> 816311 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex | 51 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf | bin | 816900 -> 820074 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex | 52 | ||||
| -rw-r--r-- | Master/texmf-dist/tex/latex/chemmacros/chemformula.sty | 326 | ||||
| -rw-r--r-- | Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty | 452 | ||||
| -rw-r--r-- | Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty | 226 |
11 files changed, 694 insertions, 503 deletions
diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README index c0afb66d15b..8342f05b70d 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/README +++ b/Master/texmf-dist/doc/latex/chemmacros/README @@ -1,10 +1,10 @@ -------------------------------------------------------------------------- -the CHEMMACROS bundle v3.5 +the CHEMMACROS bundle v3.6 -> chemmacros package -> macros and commands for chemists -> chemformula package -> typeset chemical compounds and reactions -> ghsystem package -> typeset H & P statements and pictograms from the globally harmonised system (GHS) -2013/01/28 +2013/02/26 -------------------------------------------------------------------------- This bundle succeeds the chemmacros package which is now part of the bundle diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex b/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex index 82e0636e67b..d7119b1e199 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex +++ b/Master/texmf-dist/doc/latex/chemmacros/chemformula_test_sub_and_superscripts.tex @@ -108,19 +108,21 @@ no shift:\chemsetup[chemformula]{charge-hshift=0pt}\\ \verb|\ch{NH4+}| \ch{NH4+} \\ \verb|\ch{SO4^2-}| \ch{SO4^2-} - \ch{A^{x-}} \\ - \ch{A^x-} \\ - \ch{A^{x}-} \\ - \ch{A^{$x-$}} \\ - \ch{RNO2^{-.}} \\ - \ch{^31H} \\ - \ch{^{14}6C} \\ - \ch{^{58}_{26}Fe} \\ - \ch{NO^*} \\ - \ch{SO4^2-} \ch{Ca^2+ SO4^2-} +Other tests: + +\ch{A^{x-}} \\ +\ch{A^x-} \\ +\ch{A^{x}-} \\ +\ch{A^{$x-$}} \\ +\ch{RNO2^{-.}} \\ +\ch{^31H} \\ +\ch{^{14}6C} \\ +\ch{^{58}_{26}Fe} \\ +\ch{NO^*} \\ +\ch{SO4^2-} \ch{Ca^2+ SO4^2-} \chemsetup[option]{circled=all} - \ch{H+ + OH- <=> H2O} +\ch{H+ + OH- <=> H2O} \chemsetup{option/circled=formal,chemformula/charge-hshift=.5ex} \ch{H^2} \ch[charge-vshift=.2ex]{H^2} H$^2$ @@ -131,10 +133,10 @@ no shift:\chemsetup[chemformula]{charge-hshift=0pt}\\ $ A^{\ch{SO4^2-}}$ - \ch{!(water)(H2O)} \quad - \ch{!( "\textcolor{blue}{water}" )( H2O )} \quad - \ch{!( $2n-1$ )( H2O )} \quad - \ch{!( H2O )( H2O )} \quad - \ch{!(oxonium)( H3O+ )} +\ch{!(water)(H2O)} \quad +\ch{!( "\textcolor{blue}{water}" )( H2O )} \quad +\ch{!( $2n-1$ )( H2O )} \quad +\ch{!( H2O )( H2O )} \quad +\ch{!(oxonium)( H3O+ )} \end{document}
\ No newline at end of file diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf Binary files differindex 00043c24734..f5b8f369199 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex index 93ac08a9092..0fd1dcf1fab 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex @@ -550,6 +550,21 @@ Bei der Sprachwahl \code{italian} werden zusätzliche IUPAC-Befehle definiert: \item ein paar Änderungen am Aussehen des Radikalpunktes und neue Optionen, um es anzupassen, siehe Abschnitt~\ref{ssec:compounds:customization}. \end{itemize} + +\subsection{Versionen 3.5 und 3.6} +\begin{itemize} + \item Zeilenumbrüche vor und nach Bindungen in Formeln sind nicht mehr möglich. + \item Zeilenumbrüche nach Pfeilen in Formeln sind erlaubt. + \item Einige der horizontalen Leerräume in Formeln haben jetzt dehnbare Anteile. + \item In Formeln ist geschützte Methe-EIngabe jetzt auch mit \cmd*{(} und + \cmd*{)} möglich. + \item Neue Optionen: \key{radical-vshift}, \key{radical-hshift} und + \key{radical-space} erlauben Feinkontrolle über den Radikalpunkt. + \item In stöchiometrischen Faktoren wird eine führende Null hinzugefügt, wenn + sie fehlt. + \item Neue Option: \key{stoich-paren-parse}. + \item Zahlreiche interne Änderungen am Code. +\end{itemize} \secidx*{Neues}\secidx*{BEVOR ES LOS GEHT} \part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS} @@ -1240,6 +1255,7 @@ den Abstand zwischen Atom und Anfang der Linie zu verändern. \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox} \end{beispiel} +\newpage Beispiele:% TODO: watch pagebreaks! \begin{beispiel}[dist] \ch{ 2 "\OX{o1,Na}" + "\OX{r1,Cl}" {}2 -> 2 "\OX{o2,Na}" \pch{} + 2 @@ -1274,6 +1290,7 @@ Beispiele:% TODO: watch pagebreaks! \end{beispiel} \secidx*{Redoxreaktionen} +\newpage % TODO: watch pagebreaks \section{(Standard) Zustand, Thermodynamik}\label{sec:standardstate}\secidx{Thermodynamik} \subsection{Thermodynamische Größen}\label{ssec:siunitx} Die folgenden Befehle verwenden \paket{siunitx}: @@ -2203,14 +2220,20 @@ bestehen. \ch{12} % decimals: - \ch{3.5} \\ + \ch{.5} \\ \ch{5,75} % fractions: \ch{3/2} \\ \ch{1_1/2} + + % ``iupac'': + \ch{(1/2)} \end{beispiel} +Wie Sie sehen können, wird bei Dezimalbrüchen eine führende Null ergänzt, wenn +sie in der Eingabe fehlt. + Sie müssen bei dem Input ein wenig auf die richtige Syntax achten, aber ich denke, sie ist recht intuitiv. \begin{beispiel}[code only] @@ -2218,7 +2241,8 @@ sie ist recht intuitiv. \end{beispiel} Wenn die stöchiometrischen Faktoren in Klammern geschrieben werden, werden die Brüche -nicht umgewandelt. Was in den Klammern steht, wird genauso geschrieben. +nicht umgewandelt und führende Nullen nicht ergänzt. Was in den Klammern steht, +wird genauso geschrieben. \begin{beispiel} \ch{(1/2) H2O} \ch{1/2 H2O} \ch{0.5 H2O} \end{beispiel} @@ -2236,6 +2260,10 @@ Der Output kann mit diesen Optionen angepasst werden: Default = \code{math} \option{stoich-space}{<skip>} Der Leerraum nach einem stöchiometrischen Faktor. Eine elastische Länge. Default = \code{.1667em plus .0333em minus .0117em} + \option{stoich-paren-parse}{\default{true}|false} Wenn die Option auf + \code{true} gesetzt ist, werden auch stöchiometrische Faktoren, die in Klammern + stehen, verarbeitet, d.h. Brüche umgewandelt und führende Nullen ergänzt. + Default = \code{false} \end{beschreibung} \begin{beispiel} \ch[decimal-marker={,}]{3.5} \ch[decimal-marker={$\cdot$}]{3,5} @@ -2514,6 +2542,12 @@ Diese Optionen ermöglichen Ihnen, den Output anzupassen: undefiniert. \option{radical-radius}{<dim>} Der Radius des Radikalpunktes. Default = \code{.2ex} + \option{radical-hshift}{<dim>} Horizontaler Leerraum vor dem Radikalpunkt. + Default = \code{.15em} + \option{radical-vshift}{<dim>} Vertikale Position des Radikalpunktes relativ zur + aktuellen Grundlinie. Default = \code{.5ex} + \option{radical-space}{<dim>} Horizontaler Leerraum nach dem Radikalpunkt. + Default = \code{.15em} \end{beschreibung} Vielleicht ist Ihnen aufgefallen, dass bei manchen Ionen die Ladungen nach rechts @@ -2663,15 +2697,19 @@ einen Befehl innerhalb von \cmd{ch} zu verwenden, versuchen Sie die geschützte Methode. \subsection{Mathematik}\secidx[math]{Geschützter Input}[Geschuetzter Input] -Wenn Sie speziell Mathematik-Input haben, setzen Sie ihn einfach zwischen \lstinline+$ $+. -Der Output unterscheidet sich vom geschützten Text (abgesehen von Mathe-Layout) -darin, dass ihm ein Leerraum folgt. -\begin{beschreibung}\catcode`\$=11 - \Befehl{ch}{ $<escaped math>$ } +Wenn Sie speziell Mathematik-Input haben, setzen Sie ihn einfach zwischen +\lstinline+$ $+. Der Output unterscheidet sich vom geschützten Text (abgesehen +von Mathe-Layout) darin, dass ihm ein Leerraum folgt. Der Grund dafür ist, dass +ich davon ausgehe, das Mathe-Eingabe vor allem an Stelle von stöchiometrischen +Faktoren eingesetzt wird. +\begin{beschreibung} + \Befehl{ch}{ \string$<escaped math>\string$ } + \Befehl{ch}{ \string\(<escaped math>\string\) } \end{beschreibung} \begin{beispiel} escaped text: \ch{"$x$" H2O} \\ escaped math: \ch{$x$ H2O} \\ + also escaped math: \ch{\(x\) H2O} \\ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl} \end{beispiel} diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf Binary files differindex 1a7e2f67837..f93f05024fe 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex index 45d723691b3..b1743cf1432 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex @@ -530,12 +530,24 @@ Choosing the language \code{italian} defines two additional \ac{iupac} commands: \item \chemmacros got an Italian manual, many thanks to Jonas Rivetti who volunteered to not only translate the H \&\ P statements but also this documentation! - \item the command \cmd{bond} which allows to use other bonds than single, double + \item The command \cmd{bond} which allows to use other bonds than single, double and triple, see section~\ref{ssec:bonds}. I wanted to add this for a long time! - \item a few changes to the looks of the radical point and new options to customize + \item A few changes to the looks of the radical point and new options to customize it, see section~\ref{ssec:compounds:customization}. \end{itemize} +\subsection{Versions 3.5 and 3.6} +\begin{itemize} + \item Line breaks at bonds in formulas are no longer possible. + \item Line breaks after arrows in formulas are possible. + \item Some of the horizontal spaces in formulas are now stretch- and shrinkable. + \item In formulas math escaping is also via \cmd*{(} and \cmd*{)} possible. + \item New options: \key{radical-vshift}, \key{radical-hshift} and + \key{radical-space} allow finer control over the radical dot. + \item In stoichiometric factors a leading 0 is added if missing. + \item New option: \key{stoich-paren-parse}. + \item Various internal changes to the code. +\end{itemize} \secidx*{News}\secidx*{PRELIMINARIES} \part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS}\label{part:chemmacros} @@ -1224,11 +1236,13 @@ Examples:% TODO: watch pagebreaks! \end{beispiel} \begin{beispiel}[dist] \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}" -\pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch } + \pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch } \redox(o1,o2){\small OX: $- 2\el$} \redox(r1,r2)[][-1]{\small RED: $+ 2\el$} \vspace{7mm} \end{beispiel} + +\newpage \bspmidlength{dist}{15mm} \begin{beispiel}[dist] \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}" @@ -1237,11 +1251,10 @@ Examples:% TODO: watch pagebreaks! \redox(r1,r2)[draw=blue,->]{\small RED: $+ 2\el$} \end{beispiel} -\newpage \bspmidlength{dist}{7mm} \begin{beispiel}[dist] \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}" -\pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch } + \pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch } \redox(o1,o2)[green,-stealth]{\small OX} \redox(r1,r2)[purple,-stealth][-1]{\small RED} \vspace{7mm} @@ -2142,14 +2155,19 @@ A stoichiometric factor may only contain of numbers and the signs \lstinline+.,_ \ch{12} % decimals: - \ch{3.5} \\ + \ch{.5} \\ \ch{5,75} % fractions: \ch{3/2} \\ \ch{1_1/2} + + % ``iupac'': + \ch{(1/2)} \end{beispiel} +As you can see if you input decimal numbers a missing leading zero is added. + You have to be a little bit careful with the right syntax but I believe it is rather intuitive. \begin{beispiel}[code only] @@ -2157,7 +2175,8 @@ rather intuitive. \end{beispiel} If stoichiometric factors are enclosed with parentheses the fractions are not -recognized. What's inside the parenthesis is typeset as is. +recognized and missing leading zeros are not added. What's inside the parentheses +is typeset as is. \begin{beispiel} \ch{(1/2) H2O} \ch{1/2 H2O} \ch{0.5 H2O} \end{beispiel} @@ -2175,6 +2194,8 @@ There are a few possibilities to customize the output. Default = \code{math} \option{stoich-space}{<skip>} The space that is placed after the stoichiometric factor. A rubber length. Default = \code{.1667em plus .0333em minus .0117em} + \option{stoich-paren-parse}{\default{true}|false} If set to true stoichiometric + factors enclosed by parentheses also are parsed. Default = \code{false} \end{beschreibung} \begin{beispiel} \ch[decimal-marker={,}]{3.5} \ch[decimal-marker={$\cdot$}]{3,5} @@ -2446,6 +2467,12 @@ These options allow you to customize the ouptut of the compounds: empty. \option{radical-radius}{<dim>} The radius of the radical point. Default = \code{.2ex} + \option{radical-hshift}{<dim>} Horizontal shift before the radical point is + drawn. Default = \code{.15em} + \option{radical-vshift}{<dim>} Vertical shift relative to the current baseline. + Default = \code{.5ex} + \option{radical-space}{<dim>} Horizontal shift after the radical point is + drawn. Default = \code{.15em} \end{beschreibung} Maybe you have noticed that charges of certain ions are shifted to the right.\secidx[charges!shift]{Compounds} @@ -2594,13 +2621,17 @@ when using a command inside \cmd{ch} try hiding it. \subsection{Math}\secidx[math]{Escaped Input} If you especially want to input math you just enclose it with \lstinline+$ $+. -This output is different from the escaped text as it is followed by a space. -\begin{beschreibung}\catcode`\$=11 - \Befehl{ch}{ $<escaped math>$ } +This output is different from the escaped text as it is followed by a space. The +reasoning behind this is that I assume math will mostly be used to replace +stoichiometric factors. +\begin{beschreibung} + \Befehl{ch}{ \string$<escaped math>\string$ } + \Befehl{ch}{ \string\(<escaped math>\string\) } \end{beschreibung} \begin{beispiel} escaped text: \ch{"$x$" H2O} \\ escaped math: \ch{$x$ H2O} \\ + also escaped math: \ch{\(x\) H2O} \\ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl} \end{beispiel} diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf Binary files differindex 7e405f77614..4e3e48c6081 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex index d0649f7bba5..39b8ded627e 100644 --- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex +++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex @@ -555,6 +555,23 @@ Selezionando come lingua \code{italian} vengono definiti ulteriori comandi \ac{i \item Alcuni cambiamenti all'aspetto del punto radicalico e nuove opzioni per la sua personalizzazione (vedi il sottoparagrafo~\ref{ssec:compounds:customization}). \end{itemize} + +\subsection{Versioni 3.5 e 3.6} +\begin{itemize} + \item Le interruzioni di riga che precedono o seguono i legami nelle formule non + sono più possibili. + \item Le interruzioni di riga seguenti le frecce di reazione nelle formule sono + ora permesse. + \item Alcuni degli spazi orizzontali nelle formule ora hanno dei componenti + elastici. + \item È ora possibile inserire un ambiente matematico protetto all'interno + delle formule anche con \cmd*{(} e \cmd*{)}. + \item Le nuove opzioni \key{radical-vshift}, \key{radical-hshift} e + \key{radical-space} permettono un controllo fine sul punto di radicale. + \item Nei fattori stechiometrici viene inserito uno zero iniziale quando mancante. + \item Nuova opzione \key{stoich-paren-parse}. + \item Numerose variazioni interne del codice. +\end{itemize} \secidx*{Novità}\secidx*{PRIMA DI COMINCIARE} \part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS} @@ -1239,6 +1256,8 @@ permette di variare la distanza tra atomo e inizio della linea. \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox} \end{beispiel} +% TODO: watch pagebreaks! +\newpage Esempi: \begin{beispiel}[dist] \ch{ 2 "\OX{o1,Na}" + "\OX{r1,Cl}" {}2 -> 2 "\OX{o2,Na}" \pch{} + 2 @@ -1273,6 +1292,8 @@ Esempi: \end{beispiel} \secidx*{Reazioni redox} +% TODO: watch pagebreaks! +\newpage \section{Stati (standard), termodinamica}\label{sec:standardstate}\secidx{Termodinamica} \subsection{Grandezze termodinamiche}\label{ssec:siunitx} I comandi seguenti impiegano \paket{siunitx}: @@ -2128,14 +2149,20 @@ Un fattore stechiometrico deve contenere solo cifre e simboli tra i seguenti: \l \ch{12} % decimals: - \ch{3.5} \\ + \ch{.5} \\ \ch{5,75} % fractions: \ch{3/2} \\ \ch{1_1/2} + + % ``iupac'': + \ch{(1/2)} \end{beispiel} +Come nell'esempio per le frazioni decimali viene introdotto uno zero iniziale +quando manca nell'input. + Nell'input è necessario badare alla sintassi giusta, anche se ritengo che sia piuttosto intuitiva. \begin{beispiel}[code only] @@ -2143,7 +2170,8 @@ piuttosto intuitiva. \end{beispiel} Quando i fattori stechiometrici sono scritti tra parentesi le frazioni non vengono -convertite. Il testo inserito tra parentesi viene reso allo stesso modo. +convertite e gli eventuali zeri iniziali non vengono aggiunti. +Il testo inserito tra parentesi viene reso allo stesso modo dell'input. \begin{beispiel} \ch{(1/2) H2O} \ch{1/2 H2O} \ch{0.5 H2O} \end{beispiel} @@ -2162,6 +2190,10 @@ L'output può essere adattato utilizzando le opzioni seguenti: le frazioni. Default = \code{math} \option{stoich-space}{<skip>} La dimensione dello spazio dopo un fattore stechiometrico. Una lunghezza elastica. Default = \code{.1667em plus .0333em minus .0117em} + \option{stoich-paren-parse}{\default{true}|false} Quando l'opzione è impostata + a \code{true} anche i fattori stechiometrici compresi tra parentesi vengono + elaborati, cioè le frazioni convertite e gli zeri iniziali inseriti. + Default = \code{false} \end{beschreibung} \begin{beispiel} \ch[decimal-marker={,}]{3.5} \ch[decimal-marker={$\cdot$}]{3,5} @@ -2436,6 +2468,12 @@ Le seguenti opzioni permettono di adattare l'output: \option{radical-style}{<tikz>} Opzioni di \TikZ\ per il punto radicalico. Inizialmente vuoto. \option{radical-radius}{<dim>} Il raggio del punto radicalico. Default = \code{.2ex} + \option{radical-hshift}{<dim>} Spazio orizzontale precedente il punto + radicalico. Default = \code{.15em} + \option{radical-vshift}{<dim>} Posizione verticale del punto radicalico + riferita all'attuale linea di base. Default = \code{.5ex} + \option{radical-space}{<dim>} Spazio orizzontale seguente il punto radicalico. + Default = \code{.15em} \end{beschreibung} Forse l'utente si sarà accorto che per alcuni ioni le cariche sono spostate a @@ -2584,13 +2622,17 @@ impiegare un comando all'interno di \cmd{ch} può essere utile applicare il modo \subsection{Matematica}\secidx[math]{Input protetto} Quando si ha dell'input matematico, è sufficiente porlo tra \lstinline+$ $+. L'output si distingue dal testo protetto (oltre che per il modo matematico) -anche per la presenza di uno spazio in seguito. -\begin{beschreibung}\catcode`\$=11 - \Befehl{ch}{ $<escaped math>$ } +anche per la presenza di uno spazio in seguito. Il motivo è che suppongo che +l'input matematico venga utilizzato soprattutto in luogo dei fattori +stechiometrici. +\begin{beschreibung} + \Befehl{ch}{ \string$<escaped math>\string$ } + \Befehl{ch}{ \string\(<escaped math>\string\) } \end{beschreibung} \begin{beispiel} escaped text: \ch{"$x$" H2O} \\ escaped math: \ch{$x$ H2O} \\ + also escaped math: \ch{\(x\) H2O} \\ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl} \end{beispiel} diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty index c8c81b62add..715ff06b1ad 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty @@ -156,13 +156,13 @@ \dim_new:N \l__chemformula_radical_radius_dim \dim_set:Nn \l__chemformula_radical_radius_dim { .2ex } \dim_new:N \l__chemformula_radical_hshift_dim -\dim_set:Nn \l__chemformula_radical_hshift_dim { .3ex } +\dim_set:Nn \l__chemformula_radical_hshift_dim { .15em } \dim_new:N \l__chemformula_radical_vshift_dim -\dim_set:Nn \l__chemformula_radical_vshift_dim { .7ex } +\dim_set:Nn \l__chemformula_radical_vshift_dim { .5ex } \dim_new:N \l__chemformula_radical_space_dim -\dim_set:Nn \l__chemformula_radical_space_dim { .3ex } +\dim_set:Nn \l__chemformula_radical_space_dim { .15em } -\cs_new:Npn \chemformula_radical: +\cs_new_protected:Npn \chemformula_radical: { \chemformula_tikz:xn { @@ -314,7 +314,7 @@ \tl_set:Nn \l__chemformula_arrow_ratio_tl { .6 } % determine length in dependency of labels -\cs_new_protected:Npn \chemformula_determine_arrow_length:NN #1#2 +\cs_new_protected:Npn \__chemformula_determine_arrow_length:NN #1#2 { \box_set_eq:NN \l__chemformula_tmpa_box #1 \dim_set:Nn \l__chemformula_tmpa_dim { \box_wd:N \l__chemformula_tmpa_box } @@ -359,59 +359,59 @@ \box_new:N \l__chemformula_arrow_arg_ii_box % read optional arguments -\cs_new:Npn \l__chemformula_arrow_read_args:w +\cs_new:Npn \__chemformula_arrow_read_args:w { \peek_meaning:NTF [ - { \l__chemformula_arrow_read_args_aux_i:w } - { \l__chemformula_arrow_read_args_aux_iii: } + { \__chemformula_arrow_read_args_aux_i:w } + { \__chemformula_arrow_read_args_aux_iii: } } -\cs_new_protected:Npn \l__chemformula_arrow_read_args_aux_i:w [#1] +\cs_new_protected:Npn \__chemformula_arrow_read_args_aux_i:w [#1] { \hbox_set:Nn \l__chemformula_arrow_arg_i_box { \tl_use:N \l__chemformula_arrow_label_style_tl #1 } \peek_meaning:NTF [ - { \l__chemformula_arrow_read_args_aux_ii:w } - { \l__chemformula_arrow_read_args_aux_iii: } + { \__chemformula_arrow_read_args_aux_ii:w } + { \__chemformula_arrow_read_args_aux_iii: } } -\cs_new_protected:Npn \l__chemformula_arrow_read_args_aux_ii:w [#1] +\cs_new_protected:Npn \__chemformula_arrow_read_args_aux_ii:w [#1] { \hbox_set:Nn \l__chemformula_arrow_arg_ii_box { \tl_use:N \l__chemformula_arrow_label_style_tl #1 } - \l__chemformula_arrow_read_args_aux_iii: + \__chemformula_arrow_read_args_aux_iii: } -\cs_new:Npn \l__chemformula_arrow_read_args_aux_iii: +\cs_new:Npn \__chemformula_arrow_read_args_aux_iii: { % now we have both arguments do the actual drawing: \prop_get:NVN \l__chemformula_arrows_code_prop \l__chemformula_arrow_type_tl \l__chemformula_tmpb_tl - \chemformula_arrow_draw:V \l__chemformula_tmpb_tl + \__chemformula_arrow_draw:V \l__chemformula_tmpb_tl } % get arrows (for the use in \ch to replace the symbol) % #1: symbol -\cs_new_protected:Npn \chemformula_arrows_get:n #1 +\cs_new_protected:Npn \__chemformula_arrows_get:n #1 { % first clear the arguments \box_clear:N \l__chemformula_arrow_arg_i_box \box_clear:N \l__chemformula_arrow_arg_ii_box % then get the arrow type \tl_set:Nn \l__chemformula_arrow_type_tl { #1 } - \l__chemformula_arrow_read_args:w + \__chemformula_arrow_read_args:w } % draw the arrows -\cs_new:Npn \chemformula_arrow_draw:n #1 +\cs_new:Npn \__chemformula_arrow_draw:n #1 { \chemmacros_allow_break: % prepare arrow code for drawing: \tl_set_rescan:Nnn \l__chemformula_tmpc_tl { \char_set_catcode_letter:N \_ } { #1 } % determine length of the arrow - \chemformula_determine_arrow_length:NN + \__chemformula_determine_arrow_length:NN \l__chemformula_arrow_arg_i_box \l__chemformula_arrow_arg_ii_box \chemformula_tikz:nf @@ -448,7 +448,7 @@ } \chemmacros_allow_break: } -\cs_generate_variant:Nn \chemformula_arrow_draw:n { V } +\cs_generate_variant:Nn \__chemformula_arrow_draw:n { V } % commands to declare arrows (can also be used by users): % #1: symbol, #2: code @@ -548,7 +548,7 @@ %-----------------------------------------------------------------------------% \seq_new:N \l__chemformula_input_seq % MAIN COMMAND -\cs_new_protected:Npn \chemformula_ch_main:n #1 +\cs_new_protected:Npn \__chemformula_ch_main:n #1 { \group_begin: \seq_set_split:Nnn \l__chemformula_input_seq { ~ } { #1 } @@ -564,8 +564,8 @@ \seq_map_function:NN \l__chemformula_input_seq \chemformula_input:n - \chemformula_generate_arrows:V \l__chemformula_input_tl - \chemformula_generate_name:V \l__chemformula_output_tl + \__chemformula_generate_arrows:V \l__chemformula_input_tl + \__chemformula_generate_name:V \l__chemformula_output_tl \tl_set_rescan:Nno \l__chemformula_output_tl { \ExplSyntaxOn \makeatletter } { \l__chemformula_output_tl } @@ -573,6 +573,7 @@ \group_end: } +% internal version of \ch command: \cs_new_protected:Npn \chemformula_ch:nn #1#2 { \group_align_safe_begin: @@ -580,7 +581,7 @@ \IfNoValueTF { #1 } { \tl_gclear:N \g__chemformula_options_tl } { \tl_gset:Nn \g__chemformula_options_tl { #1 } } - \chemformula_ch_aux_i:w #2 \\ \q_no_value \q_stop + \__chemformula_ch_aux_i:w #2 \\ \q_no_value \q_stop \group_align_safe_end: \tl_use:N \g__chemformula_output_tl \tl_gclear:N \g__chemformula_output_tl @@ -588,58 +589,58 @@ % Trickery to use \ch inside align environment: % bypass \\: -\cs_new_protected:Npn \chemformula_ch_aux_i:w #1 \\ #2 \q_stop +\cs_new_protected:Npn \__chemformula_ch_aux_i:w #1 \\ #2 \q_stop { - \chemformula_ch_aux_ii:w #1 & \q_no_value \q_stop + \__chemformula_ch_aux_ii:w #1 & \q_no_value \q_stop \quark_if_no_value:nF { #2 } { \tl_gput_right:Nn \g__chemformula_output_tl { \\ } - \chemformula_ch_aux_i:w #2 \q_stop + \__chemformula_ch_aux_i:w #2 \q_stop } } % bypass &: -\cs_new_protected:Npn \chemformula_ch_aux_ii:w #1 & #2 \q_stop +\cs_new_protected:Npn \__chemformula_ch_aux_ii:w #1 & #2 \q_stop { - \chemformula_ch_aux_iii:w #1 \label{} \q_no_value \q_stop + \__chemformula_ch_aux_iii:w #1 \label{} \q_no_value \q_stop \quark_if_no_value:nF { #2 } { \tl_gput_right:Nn \g__chemformula_output_tl { & } - \chemformula_ch_aux_ii:w #2 \q_stop + \__chemformula_ch_aux_ii:w #2 \q_stop } } % bypass \label: -\cs_new_protected:Npn \chemformula_ch_aux_iii:w #1 \label#2 #3 \q_stop +\cs_new_protected:Npn \__chemformula_ch_aux_iii:w #1 \label#2 #3 \q_stop { - \chemformula_ch_aux_iv:w #1 \tag{} \q_no_value \q_stop + \__chemformula_ch_aux_iv:w #1 \tag{} \q_no_value \q_stop \quark_if_no_value:nF { #3 } { \tl_gput_right:Nn \g__chemformula_output_tl { \label{#2} } - \chemformula_ch_aux_iii:w #3 \q_stop + \__chemformula_ch_aux_iii:w #3 \q_stop } } % bypass \tag: -\cs_new_protected:Npn \chemformula_ch_aux_iv:w #1 \tag#2 #3 \q_stop +\cs_new_protected:Npn \__chemformula_ch_aux_iv:w #1 \tag#2 #3 \q_stop { - \chemformula_ch_aux_v:w #1 \intertext{} \q_no_value \q_stop + \__chemformula_ch_aux_v:w #1 \intertext{} \q_no_value \q_stop \quark_if_no_value:nF { #3 } { \tl_gput_right:Nn \g__chemformula_output_tl { \tag{#2} } - \chemformula_ch_aux_iv:w #3 \q_stop + \__chemformula_ch_aux_iv:w #3 \q_stop } } % bypass \intertext: -\cs_new_protected:Npn \chemformula_ch_aux_v:w #1 \intertext#2 #3 \q_stop +\cs_new_protected:Npn \__chemformula_ch_aux_v:w #1 \intertext#2 #3 \q_stop { \tl_gput_right:Nn \g__chemformula_output_tl - { \chemformula_ch_main:n { #1 } } + { \__chemformula_ch_main:n { #1 } } \quark_if_no_value:nF { #3 } { \tl_gput_right:Nn \g__chemformula_output_tl { \intertext{#2} } - \chemformula_ch_aux_v:w #3 \q_stop + \__chemformula_ch_aux_v:w #3 \q_stop } } @@ -663,19 +664,19 @@ %-----------------------------------------------------------------------------% % arrow generation & detection -\cs_new:Npn \chemformula_generate_arrows:n #1 +\cs_new:Npn \__chemformula_generate_arrows:n #1 { \tl_set:Nn \l__chemformula_tmpa_tl { #1 } \seq_map_inline:Nn \l__chemformula_arrows_type_seq { \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { ##1 } { \chemformula_arrows_get:n { ##1 } } + { ##1 } { \__chemformula_arrows_get:n { ##1 } } } \tl_set_eq:NN \l__chemformula_output_tl \l__chemformula_tmpa_tl } -\cs_generate_variant:Nn \chemformula_generate_arrows:n { V } +\cs_generate_variant:Nn \__chemformula_generate_arrows:n { V } -\cs_new_protected:Npn \chemformula_detect_arrows:n #1 +\cs_new_protected:Npn \__chemformula_detect_arrows:n #1 { \bool_set_false:N \l__chemformula_is_arrow_bool \prop_map_inline:Nn \l__chemformula_arrows_code_prop @@ -690,12 +691,12 @@ % compound names \dim_new:N \l__chemformula_name_dim -\cs_new:Npn \chemformula_name_cmpd:w - { \peek_meaning:NTF ( { \chemformula_name_cmpd_aux:w } { ! } } +\cs_new:Npn \__chemformula_name_cmpd:w + { \peek_meaning:NTF ( { \__chemformula_name_cmpd_aux:w } { ! } } % TODO % this is no document command -- but now nesting of brackets is possible -\NewDocumentCommand \chemformula_name_cmpd_aux:w {r()r()} +\NewDocumentCommand \__chemformula_name_cmpd_aux:w {r()r()} { \( \underset @@ -713,16 +714,16 @@ \) } -\cs_new_protected:Npn \chemformula_generate_name:n #1 +\cs_new_protected:Npn \__chemformula_generate_name:n #1 { \tl_set:Nn \l__chemformula_tmpa_tl { #1 } \tl_if_in:VnT \l__chemformula_tmpa_tl { ! } - { \tl_replace_all:Nnn \l__chemformula_tmpa_tl { ! } { \chemformula_name_cmpd:w } } + { \tl_replace_all:Nnn \l__chemformula_tmpa_tl { ! } { \__chemformula_name_cmpd:w } } \tl_set_eq:NN \l__chemformula_output_tl \l__chemformula_tmpa_tl } -\cs_generate_variant:Nn \chemformula_generate_name:n { V } +\cs_generate_variant:Nn \__chemformula_generate_name:n { V } -\cs_new_protected:Npn \chemformula_detect_name:n #1 +\cs_new_protected:Npn \__chemformula_detect_name:n #1 { \bool_set_false:N \l__chemformula_is_name_bool \tl_set:Nn \l__chemformula_tmpa_tl { #1 } @@ -737,11 +738,13 @@ \bool_new:N \l__chemformula_options_bool \bool_new:N \l__chemformula_is_option_bool \bool_new:N \l__chemformula_stoich_bool +\bool_new:N \l__chemformula_no_stoich_bool \bool_new:N \l__chemformula_is_plus_bool \bool_new:N \l__chemformula_is_up_bool \bool_new:N \l__chemformula_is_down_bool \bool_new:N \l__chemformula_is_arrow_bool \bool_new:N \l__chemformula_is_name_bool +\bool_new:N \l__chemformula_stoich_is_iupac_bool \bool_new:N \l__chemformula_stoich_parse_iupac_bool \bool_new:N \l__chemformula_first_last_text_bool \bool_new:N \l__chemformula_first_last_double_bool @@ -850,16 +853,16 @@ % behaviour in a charge \prop_new:N \l__chemformula_charge_prop -\prop_put:Nnn \l__chemformula_charge_prop { 0 } { \chemformula_charge_style:n { 0 } } -\prop_put:Nnn \l__chemformula_charge_prop { 1 } { \chemformula_charge_style:n { 1 } } -\prop_put:Nnn \l__chemformula_charge_prop { 2 } { \chemformula_charge_style:n { 2 } } -\prop_put:Nnn \l__chemformula_charge_prop { 3 } { \chemformula_charge_style:n { 3 } } -\prop_put:Nnn \l__chemformula_charge_prop { 4 } { \chemformula_charge_style:n { 4 } } -\prop_put:Nnn \l__chemformula_charge_prop { 5 } { \chemformula_charge_style:n { 5 } } -\prop_put:Nnn \l__chemformula_charge_prop { 6 } { \chemformula_charge_style:n { 6 } } -\prop_put:Nnn \l__chemformula_charge_prop { 7 } { \chemformula_charge_style:n { 7 } } -\prop_put:Nnn \l__chemformula_charge_prop { 8 } { \chemformula_charge_style:n { 8 } } -\prop_put:Nnn \l__chemformula_charge_prop { 9 } { \chemformula_charge_style:n { 9 } } +\prop_put:Nnn \l__chemformula_charge_prop { 0 } { \__chemformula_charge_style:n { 0 } } +\prop_put:Nnn \l__chemformula_charge_prop { 1 } { \__chemformula_charge_style:n { 1 } } +\prop_put:Nnn \l__chemformula_charge_prop { 2 } { \__chemformula_charge_style:n { 2 } } +\prop_put:Nnn \l__chemformula_charge_prop { 3 } { \__chemformula_charge_style:n { 3 } } +\prop_put:Nnn \l__chemformula_charge_prop { 4 } { \__chemformula_charge_style:n { 4 } } +\prop_put:Nnn \l__chemformula_charge_prop { 5 } { \__chemformula_charge_style:n { 5 } } +\prop_put:Nnn \l__chemformula_charge_prop { 6 } { \__chemformula_charge_style:n { 6 } } +\prop_put:Nnn \l__chemformula_charge_prop { 7 } { \__chemformula_charge_style:n { 7 } } +\prop_put:Nnn \l__chemformula_charge_prop { 8 } { \__chemformula_charge_style:n { 8 } } +\prop_put:Nnn \l__chemformula_charge_prop { 9 } { \__chemformula_charge_style:n { 9 } } \prop_put:Nnn \l__chemformula_charge_prop { + } { \chemformula_plus: } \prop_put:Nnn \l__chemformula_charge_prop { - } { \chemformula_minus: } \prop_put:Nnn \l__chemformula_charge_prop { . } { \chemformula_radical: } @@ -883,6 +886,14 @@ \prop_put:Nnn \l__chemformula_stoich_prop { ( } { ( } \prop_put:Nnn \l__chemformula_stoich_prop { ) } { ) } +\prop_new:N \l__chemformula_no_stoich_prop +\prop_put:Nnn \l__chemformula_no_stoich_prop { . } { } +\prop_put:Nnn \l__chemformula_no_stoich_prop { , } { } +\prop_put:Nnn \l__chemformula_no_stoich_prop { / } { } +\prop_put:Nnn \l__chemformula_no_stoich_prop { _ } { } +\prop_put:Nnn \l__chemformula_no_stoich_prop { ( } { } +\prop_put:Nnn \l__chemformula_no_stoich_prop { ) } { } + %-----------------------------------------------------------------------------% % bonds: \dim_new:N \l__chemformula_bond_space_dim @@ -923,13 +934,13 @@ \draw (chemformula-bond-start) ++(\l__chemformula_bond_dim ,0) coordinate (chemformula-bond-end) ; \tl_if_blank:nTF { #1 } - { \chemformula_bond_draw:n { single } } - { \chemformula_bond_draw:n { #1 } } + { \__chemformula_bond_draw:n { single } } + { \__chemformula_bond_draw:n { #1 } } } \chemmacros_skip_nobreak:N \l__chemformula_bond_space_dim } -\cs_new_protected:Npn \chemformula_bond_draw:n #1 +\cs_new_protected:Npn \__chemformula_bond_draw:n #1 { \tl_set_rescan:Nnn \l__chemformula_tmpa_tl {} { #1 } \exp_args:NNo \prop_get:Nn \l__chemformula_bonds_prop @@ -1046,20 +1057,20 @@ %-----------------------------------------------------------------------------% % sub- and superscripts -\cs_new:Npn \chemformula_number_style:n #1 +\cs_new:Npn \__chemformula_number_style:n #1 { \bool_if:NTF \l__chemformula_number_style_math_bool { \ensuremath { #1 } } { \ensuremath { \text { #1 } } } } -\cs_new:Npn \chemformula_charge_style:n #1 +\cs_new:Npn \__chemformula_charge_style:n #1 { \bool_if:NTF \l__chemformula_charge_style_math_bool { \ensuremath { #1 } } { \ensuremath { \text { #1 } } } } -\cs_generate_variant:Nn \chemformula_charge_style:n { V } +\cs_generate_variant:Nn \__chemformula_charge_style:n { V } % subscripts \tl_new:N \l__chemformula_subscript_tl @@ -1069,26 +1080,26 @@ \cs_new_protected:Npn \chemformula_subscript:n #1 { \tl_if_eq:nnTF { #1 }{ \chemformula_superscript:n } - { \chemformula_subscript_aux:n } + { \__chemformula_subscript:n } { \tl_if_eq:nnTF { #1 }{ \chemformula_subscript:n } - { \chemformula_subscript_aux:n } + { \__chemformula_subscript:n } { \tl_set:Nn \l__chemformula_tmpc_tl { #1 } \tl_if_in:nnT { #1 } { \chemformula_subscript:n } { \tl_remove_all:Nn \l__chemformula_tmpc_tl { \chemformula_subscript:n } } \tl_if_in:nnT { #1 } { \chemformula_superscript:n } { \tl_remove_all:Nn \l__chemformula_tmpc_tl { \chemformula_superscript:n } } - \chemformula_subscript_aux:V \l__chemformula_tmpc_tl + \__chemformula_subscript:V \l__chemformula_tmpc_tl } } } % handle subscripts -\cs_new_protected:Npn \chemformula_subscript_aux:n #1 +\cs_new_protected:Npn \__chemformula_subscript:n #1 { \tl_put_right:Nn \l__chemformula_subscript_tl { #1 } - \chemformula_clean_subscript: + \__chemformula_clean_subscript: % if a subscript follows just store and do nothing else \peek_meaning:NF \chemformula_subscript:n { @@ -1096,15 +1107,15 @@ % if something else follows both sub- and superscript \peek_meaning:NF \chemformula_superscript:n { - \chemformula_measure_subscript:V \l__chemformula_subscript_tl - \chemformula_measure_superscript:V \l__chemformula_superscript_tl - \chemformula_use_sub_and_superscript: + \__chemformula_measure_subscript:V \l__chemformula_subscript_tl + \__chemformula_measure_superscript:V \l__chemformula_superscript_tl + \__chemformula_use_sub_and_superscript: } } } -\cs_generate_variant:Nn \chemformula_subscript_aux:n { o,V } +\cs_generate_variant:Nn \__chemformula_subscript:n { o,V } -\cs_new_protected:Npn \chemformula_clean_subscript: +\cs_new_protected:Npn \__chemformula_clean_subscript: { \tl_replace_all:Nnn \l__chemformula_subscript_tl { \chemformula_single_bond: } { \chemformula_minus: } @@ -1116,7 +1127,7 @@ { \chemformula_star_adduct: } { * } } -\cs_new_protected:Npn \chemformula_subscript_raise:N #1 +\cs_new_protected:Npn \__chemformula_subscript_raise:N #1 { \hbox_set:Nn \l__chemformula_tmpa_box { $\scriptstyle Hg$ } @@ -1130,29 +1141,29 @@ \tex_raise:D #1 } -\cs_new:Npn \chemformula_subscript_write:n #1 +\cs_new:Npn \__chemformula_subscript_write:n #1 { - \chemformula_subscript_raise:N \l__chemformula_subscript_shift_dim + \__chemformula_subscript_raise:N \l__chemformula_subscript_shift_dim \hbox:n { $\scriptstyle \prop_get:NoNTF \l__chemformula_numbers_prop { #1 } \l__chemformula_tmpa_tl - { \chemformula_number_style:n { \l__chemformula_tmpa_tl } } - { \chemformula_number_style:n { #1 } }$ + { \__chemformula_number_style:n { \l__chemformula_tmpa_tl } } + { \__chemformula_number_style:n { #1 } }$ } } -\cs_generate_variant:Nn \chemformula_subscript_write:n { V } +\cs_generate_variant:Nn \__chemformula_subscript_write:n { V } -\cs_new_protected:Npn \chemformula_measure_subscript:n #1 +\cs_new_protected:Npn \__chemformula_measure_subscript:n #1 { \hbox_set:Nn \l__chemformula_tmpa_box - { \chemformula_subscript_write:n { #1 } } + { \__chemformula_subscript_write:n { #1 } } \dim_set:Nn \l__chemformula_subscript_dim { -\box_wd:N \l__chemformula_tmpa_box } \box_clear:N \l__chemformula_tmpa_box } -\cs_generate_variant:Nn \chemformula_measure_subscript:n { V } +\cs_generate_variant:Nn \__chemformula_measure_subscript:n { V } % superscripts \tl_new:N \l__chemformula_superscript_tl @@ -1162,39 +1173,39 @@ \cs_new_protected:Npn \chemformula_superscript:n #1 { \tl_if_eq:nnTF { #1 } { \chemformula_superscript:n } - { \chemformula_superscript_aux:n } + { \__chemformula_superscript:n } { \tl_if_eq:nnTF { #1 } { \chemformula_subscript:n } - { \chemformula_superscript_aux:n } + { \__chemformula_superscript:n } { \tl_set:Nn \l__chemformula_tmpc_tl { #1 } \tl_if_in:nnT { #1 } { \chemformula_subscript:n } { \tl_remove_all:Nn \l__chemformula_tmpc_tl { \chemformula_subscript:n } } \tl_if_in:nnT { #1 } { \chemformula_superscript:n } { \tl_remove_all:Nn \l__chemformula_tmpc_tl { \chemformula_superscript:n } } - \chemformula_superscript_aux:V \l__chemformula_tmpc_tl + \__chemformula_superscript:V \l__chemformula_tmpc_tl } } } % handle superscripts -\cs_new_protected:Npn \chemformula_superscript_aux:n #1 +\cs_new_protected:Npn \__chemformula_superscript:n #1 { \tl_put_right:Nn \l__chemformula_superscript_tl { #1 } - \chemformula_clean_superscript: + \__chemformula_clean_superscript: \peek_meaning:NF \chemformula_superscript:n { \peek_meaning:NF \chemformula_subscript:n { - \chemformula_measure_subscript:V \l__chemformula_subscript_tl - \chemformula_measure_superscript:V \l__chemformula_superscript_tl - \chemformula_use_sub_and_superscript: + \__chemformula_measure_subscript:V \l__chemformula_subscript_tl + \__chemformula_measure_superscript:V \l__chemformula_superscript_tl + \__chemformula_use_sub_and_superscript: } } } -\cs_generate_variant:Nn \chemformula_superscript_aux:n { o,V } +\cs_generate_variant:Nn \__chemformula_superscript:n { o,V } -\cs_new_protected:Npn \chemformula_clean_superscript: +\cs_new_protected:Npn \__chemformula_clean_superscript: { \tl_replace_all:Nnn \l__chemformula_superscript_tl { \chemformula_single_bond: } { \chemformula_minus: } @@ -1212,7 +1223,7 @@ { . } { \chemformula_radical: } } -\cs_new_protected:Npn \chemformula_superscript_raise:N #1 +\cs_new_protected:Npn \__chemformula_superscript_raise:N #1 { \hbox_set:Nn \l__chemformula_tmpa_box { $\scriptstyle Hg$ } @@ -1226,32 +1237,32 @@ \tex_raise:D #1 } -\cs_new:Npn \chemformula_superscript_write:n #1 +\cs_new:Npn \__chemformula_superscript_write:n #1 { - \chemformula_superscript_raise:N \l__chemformula_superscript_shift_dim + \__chemformula_superscript_raise:N \l__chemformula_superscript_shift_dim \hbox:n { $\scriptstyle \prop_get:NoNTF \l__chemformula_charge_prop { #1 } \l__chemformula_tmpa_tl - { \chemformula_charge_style:V \l__chemformula_tmpa_tl } - { \chemformula_charge_style:n { #1 } }$ + { \__chemformula_charge_style:V \l__chemformula_tmpa_tl } + { \__chemformula_charge_style:n { #1 } }$ } } -\cs_generate_variant:Nn \chemformula_superscript_write:n { V } +\cs_generate_variant:Nn \__chemformula_superscript_write:n { V } -\cs_new_protected:Npn \chemformula_measure_superscript:n #1 +\cs_new_protected:Npn \__chemformula_measure_superscript:n #1 { \hbox_set:Nn \l__chemformula_tmpa_box - { \chemformula_superscript_write:n { #1 } } + { \__chemformula_superscript_write:n { #1 } } \dim_set:Nn \l__chemformula_superscript_dim { -\box_wd:N \l__chemformula_tmpa_box } \box_clear:N \l__chemformula_tmpa_box } -\cs_generate_variant:Nn \chemformula_measure_superscript:n { V } +\cs_generate_variant:Nn \__chemformula_measure_superscript:n { V } % typeset both sub- and superscripts -\cs_new_protected:Npn \chemformula_use_sub_and_superscript: +\cs_new_protected:Npn \__chemformula_use_sub_and_superscript: { \group_begin: % No shift for excited state @@ -1288,7 +1299,7 @@ % typeset superscript \tl_if_blank:VF \l__chemformula_superscript_tl { - \chemformula_superscript_write:V \l__chemformula_superscript_tl + \__chemformula_superscript_write:V \l__chemformula_superscript_tl % skip back for the subscript \tl_if_blank:VF \l__chemformula_subscript_tl { @@ -1307,7 +1318,7 @@ } % typeset subscript \tl_if_blank:VF \l__chemformula_subscript_tl - { \chemformula_subscript_write:V \l__chemformula_subscript_tl } + { \__chemformula_subscript_write:V \l__chemformula_subscript_tl } \bool_if:NF \l__chemformula_is_isotope_bool { \dim_zero:N \l__chemformula_tmpa_dim @@ -1356,7 +1367,7 @@ \chemformula_input_escape_text:V \l__chemformula_chemformula_tmpa_tl \chemformula_input_escape_math:n { #1 } \chemformula_input_stoich:n { #1 } - \chemformula_clean_chem_macros:V \l__chemformula_chemformula_tmpa_tl + \__chemformula_clean_chem_macros:V \l__chemformula_chemformula_tmpa_tl \chemformula_input_cmpd:VN \l__chemformula_chemformula_tmpa_tl \l__chemformula_input_tl \chemformula_input_arrow:n { #1 } @@ -1390,24 +1401,34 @@ \cs_new_protected:Npn \chemformula_input_stoich:n #1 { \bool_set_true:N \l__chemformula_stoich_bool - \tl_put_right:Nn \l__chemformula_stoich_tl { \chemformula_font_inner: } + % the factor consists only of a parenthesis or a decimal marcer: + \bool_set_true:N \l__chemformula_no_stoich_bool \tl_map_inline:nn { #1 } { - \prop_get:NnNTF \l__chemformula_stoich_prop { ##1 } \l__chemformula_tmpa_tl + \prop_get:NnNF \l__chemformula_no_stoich_prop { ##1 } \l__chemformula_tmpa_tl + { \bool_set_false:N \l__chemformula_no_stoich_bool } + } + \bool_if:NF \l__chemformula_no_stoich_bool + { + \tl_map_inline:nn { #1 } { - \bool_if:NT \l__chemformula_stoich_bool - { \tl_put_right:Nx \l__chemformula_stoich_tl { \l__chemformula_tmpa_tl } } + \prop_get:NnNTF \l__chemformula_stoich_prop { ##1 } \l__chemformula_tmpa_tl + { + \bool_if:NT \l__chemformula_stoich_bool + { \tl_put_right:NV \l__chemformula_stoich_tl \l__chemformula_tmpa_tl } + } + { \bool_set_false:N \l__chemformula_stoich_bool } } - { \bool_set_false:N \l__chemformula_stoich_bool } } \bool_if:NTF \l__chemformula_stoich_bool { \tl_if_blank:VF \l__chemformula_stoich_tl { + \tl_put_left:Nn \l__chemformula_stoich_tl { \chemformula_font_inner: } \tl_set_rescan:Nno \l__chemformula_stoich_tl { \ExplSyntaxOn } { \l__chemformula_stoich_tl } - \chemformula_parse_stoich:V + \__chemformula_parse_stoich:V \l__chemformula_stoich_tl } } @@ -1416,14 +1437,16 @@ \cs_new:Npn \chemformula_bm:n #1 { #1 } -\cs_new_protected:Npn \chemformula_parse_stoich:n #1 +\cs_new_protected:Npn \__chemformula_parse_stoich:n #1 { \__chemformula_parse_stoich:w #1 \q_nil } -\cs_generate_variant:Nn \chemformula_parse_stoich:n { V } +\cs_generate_variant:Nn \__chemformula_parse_stoich:n { V } \cs_new:Npn \__chemformula_parse_stoich:w \chemformula_font_inner: #1 \q_nil { \tl_put_right:Nn \l__chemformula_input_tl { \chemformula_font_inner: } - \tl_if_in:nnTF { #1 } { ( } + \__chemformula_bool_set_if_first_last:Nnnn + \l__chemformula_stoich_is_iupac_bool { #1 } { ( } { ) } + \bool_if:NTF \l__chemformula_stoich_is_iupac_bool { \__chemformula_parse_stoich_iupac:n { #1 } } { \__chemformula_parse_stoich_regular:n { #1 } } } @@ -1445,7 +1468,7 @@ { % get head: \tl_set:Nx \l__chemformula_tmpa_tl { \tl_head:n { #1 } } - \tl_set:Nx \l__chemformula_tmpb_tl { \l__chemformula_decimal_output_tl } + \tl_set:Nn \l__chemformula_tmpb_tl { \l__chemformula_decimal_output_tl } % check if stoich starts with decimal-marker and add leading 0 if so: \tl_if_eq:NNTF \l__chemformula_tmpa_tl \l__chemformula_tmpb_tl { \tl_put_right:Nn \l__chemformula_input_tl { 0#1 } } @@ -1462,13 +1485,13 @@ \cs_new_protected:Npn \__chemformula_parse_stoich_frac:w #1/#2 \q_nil { \tl_put_right:Nn \l__chemformula_input_tl - { \chemformula_frac:nn { #1 } { #2 } } + { \__chemformula_frac:nn { #1 } { #2 } } } \cs_new_protected:Npn \__chemformula_parse_stoich_misc_frac:w #1_#2/#3 \q_nil { \tl_put_right:Nn \l__chemformula_input_tl - { \chemformula_misc_frac:nnn { #1 } { #2 } { #3 } } + { \__chemformula_misc_frac:nnn { #1 } { #2 } { #3 } } } \cs_new_protected:Npn \__chemformula_parse_stoich_iupac:n #1 @@ -1485,7 +1508,7 @@ \tl_put_right:Nn \l__chemformula_input_tl { ) } } -\cs_new:Npn \chemformula_frac:nn #1#2 +\cs_new:Npn \__chemformula_frac:nn #1#2 { \bool_if:NT \l__chemformula_xfrac_bool { \sfrac[chemformula-text-frac]{#1}{#2} } @@ -1495,7 +1518,7 @@ { $ \frac{ \text { #1 } } { \text { #2 } } $ } } -\cs_new:Npn \chemformula_misc_frac:nnn #1#2#3 +\cs_new:Npn \__chemformula_misc_frac:nnn #1#2#3 { \bool_if:NT \l__chemformula_xfrac_bool { #1\sfrac[chemformula-text-frac]{#2}{#3} } @@ -1517,8 +1540,8 @@ { \bool_set_true:N \l__chemformula_is_down_bool } \tl_if_eq:nnT { #1 } { ^ } { \bool_set_true:N \l__chemformula_is_up_bool } - \chemformula_detect_arrows:n { #1 } - \chemformula_detect_name:n { #1 } + \__chemformula_detect_arrows:n { #1 } + \__chemformula_detect_name:n { #1 } \chemformula_input_options:n { #1 } \bool_if:NT \l__chemformula_is_option_bool { @@ -1543,7 +1566,7 @@ { \tl_put_right:Nn #2 { \chemformula_font_inner: } - \chemformula_handle_sub_and_superscripts:nN { #1 } #2 + \__chemformula_handle_sub_and_superscripts:nN { #1 } #2 \bool_if:NT \l__chemformula_options_bool { \tl_put_right:Nn #2 @@ -1584,34 +1607,39 @@ } \cs_new:Npn \chemformula_font: {} -\cs_new:Npn \chemformula_fontspec:n #1 +\cs_new:Npn \__chemformula_fontspec:n #1 { \tl_if_in:nnTF { #1 } { [ } - { \chemformula_fontspec_aux:w #1 \q_stop } - { \chemformula_fontspec_aux:w [] #1 \q_stop } + { \__chemformula_fontspec_aux:w #1 \q_stop } + { \__chemformula_fontspec_aux:w [] #1 \q_stop } } -\cs_new:Npn \chemformula_fontspec_aux:w [#1]#2 \q_stop +\cs_new:Npn \__chemformula_fontspec_aux:w [#1]#2 \q_stop { \newfontfamily \chemformula_font: [ #1 ] { #2 } } -\cs_new_protected:Npn \chemformula_sanitize:Nn #1#2 +\cs_new_protected:Npn \__chemformula_sanitize:Nn #1#2 { \tl_set_rescan:Nnn #1 { + % expl3 catcodes: \char_set_catcode_letter:N \_ \char_set_catcode_math_superscript:N \^ + % disable some of the specials: \char_set_catcode_letter:N \{ \char_set_catcode_letter:N \} \char_set_catcode_letter:N \\ \char_set_catcode_letter:N \# + % make the naming work with babel languages like French that make + % ! active: + \char_set_catcode_other:N \! } { #2 } } \cs_generate_variant:Nn \tl_if_in:nnT { x } -\cs_new_protected:Npn \chemformula_handle_sub_and_superscripts:nN #1#2 +\cs_new_protected:Npn \__chemformula_handle_sub_and_superscripts:nN #1#2 { - \chemformula_sanitize:Nn \l__chemformula_tmpa_tl { #1 } + \__chemformula_sanitize:Nn \l__chemformula_tmpa_tl { #1 } % let's see if the compound starts with a sub- or superscript: \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { ^ } { @@ -1674,7 +1702,7 @@ %-----------------------------------------------------------------------------% % clean up chemmacros commands: -\cs_new_protected:Npn \chemformula_clean_chem_macros:n #1 +\cs_new_protected:Npn \__chemformula_clean_chem_macros:n #1 { \cs_set:Nn \chemmacros_text:n { @@ -1684,7 +1712,7 @@ } \cs_set:Npn \chemmacros_xspace: {} } -\cs_generate_variant:Nn \chemformula_clean_chem_macros:n { V } +\cs_generate_variant:Nn \__chemformula_clean_chem_macros:n { V } %-----------------------------------------------------------------------------% % input "and" sign @@ -1710,7 +1738,7 @@ \group_begin: % ensure ^ has catcode 7 % (else chemmacros wouldn't work with e.g. `breqn') - \chemformula_sanitize:Nn \g__chemformula_input_up_tl { #1 } + \__chemformula_sanitize:Nn \g__chemformula_input_up_tl { #1 } \char_set_catcode_math_superscript:N \^ \__chemformula_input_up:V \g__chemformula_input_up_tl } @@ -1790,16 +1818,16 @@ \cs_new_protected:Npn \chemformula_input_escape_text:n #1 { - \chemformula_first_last_text:n { #1 } + \__chemformula_first_last_text:n { #1 } \bool_if:NT \l__chemformula_first_last_double_bool { \bool_set_true:N \l__chemformula_first_last_text_bool - \chemformula_read_escape_double:w #1 \q_nil + \__chemformula_read_escape_double:w #1 \q_nil } \bool_if:NT \l__chemformula_first_last_single_bool { \bool_set_true:N \l__chemformula_first_last_text_bool - \chemformula_read_escape_single:w #1 \q_nil + \__chemformula_read_escape_single:w #1 \q_nil } } \cs_generate_variant:Nn \chemformula_input_escape_text:n { V } @@ -1824,13 +1852,13 @@ \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl } -\cs_new:Npn \chemformula_read_escape_double:w "#1" \q_nil +\cs_new:Npn \__chemformula_read_escape_double:w "#1" \q_nil { \__chemformula_read_escape_text:n { #1 } } -\cs_new:Npn \chemformula_read_escape_single:w '#1' \q_nil +\cs_new:Npn \__chemformula_read_escape_single:w '#1' \q_nil { \__chemformula_read_escape_text:n { #1 } } -\cs_new_protected:Npn \chemformula_first_last_text:n #1 +\cs_new_protected:Npn \__chemformula_first_last_text:n #1 { \bool_set_false:N \l__chemformula_first_last_double_bool \bool_set_false:N \l__chemformula_first_last_single_bool @@ -1852,16 +1880,16 @@ % input escaped math \cs_new_protected:Npn \chemformula_input_escape_math:n #1 { - \chemformula_first_last_math:n { #1 } + \__chemformula_first_last_math:n { #1 } \bool_if:NT \l__chemformula_first_last_dollar_bool { \bool_set_true:N \l__chemformula_first_last_math_bool - \chemformula_read_escape_dollar:w #1 \q_nil + \__chemformula_read_escape_dollar:w #1 \q_nil } \bool_if:NT \l__chemformula_first_last_mathbraces_bool { \bool_set_true:N \l__chemformula_first_last_math_bool - \chemformula_read_escape_mathbraces:w #1 \q_nil + \__chemformula_read_escape_mathbraces:w #1 \q_nil } } @@ -1887,13 +1915,13 @@ { \skip_horizontal:N \l__chemformula_math_space_skip } } -\cs_new:Npn \chemformula_read_escape_dollar:w $#1$ \q_nil +\cs_new:Npn \__chemformula_read_escape_dollar:w $#1$ \q_nil { \__chemformula_read_escape_math:n { #1 } } -\cs_new:Npn \chemformula_read_escape_mathbraces:w \(#1\) \q_nil +\cs_new:Npn \__chemformula_read_escape_mathbraces:w \(#1\) \q_nil { \__chemformula_read_escape_math:n { #1 } } -\cs_new_protected:Npn \chemformula_first_last_math:n #1 +\cs_new_protected:Npn \__chemformula_first_last_math:n #1 { \bool_set_false:N \l__chemformula_first_last_math_bool \bool_set_false:N \l__chemformula_first_last_dollar_bool @@ -1952,7 +1980,7 @@ \bool_set_false:N \l__chemformula_xfrac_bool \bool_set_true:N \l__chemformula_nicefrac_bool \bool_set_false:N \l__chemformula_mathfrac_bool , - stoich-iupac-parse .bool_set:N = \l__chemformula_stoich_parse_iupac_bool , + stoich-paren-parse .bool_set:N = \l__chemformula_stoich_parse_iupac_bool , stoich-space .skip_set:N = \l__chemformula_stoich_space_skip , adduct-space .dim_set:N = \l__chemformula_cdot_space_dim , plus-space .skip_set:N = \l__chemformula_plus_space_skip , @@ -1988,7 +2016,7 @@ font-spec .code:n = \bool_set_false:N \l__chemformula_fss_bool \bool_set_true:N \l__chemformula_fontspec_bool - \chemformula_fontspec:n { #1 } , + \__chemformula_fontspec:n { #1 } , format .code:n = \bool_set_false:N \l__chemformula_fss_bool \bool_set_false:N \l__chemformula_fontspec_bool diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty index e8212bf0bff..38b5e573c43 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty @@ -29,8 +29,8 @@ \RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx } \RequirePackage{ tikz , mathtools , environ , scrlfile , etoolbox , bm } \usetikzlibrary{calc,arrows} -\def\chemmacros@version{3.5a} -\def\chemmacros@date{2013/02/19} +\def\chemmacros@version{3.6} +\def\chemmacros@date{2013/02/26} \ProvidesExplPackage {chemmacros} @@ -302,7 +302,6 @@ \bool_new:N \l__chemmacros_strict_bool \bool_new:N \l__chemmacros_detect_bold_bool \bool_set_true:N \l__chemmacros_detect_bold_bool - \bool_new:N \l__chemmacros_use_upgreek_bool \bool_new:N \l__chemmacros_use_textgreek_bool \bool_new:N \l__chemmacros_option_greek_set_bool @@ -578,13 +577,13 @@ % --------------------------------------------------------------------------- % % circled charge signs \cs_new_protected:Npn \chemmacros_fplus: - { \ensuremath { \chemmacros_fplus_aux_i: } } + { \ensuremath { \__chemmacros_fplus: } } -\cs_new:Npn \chemmacros_fplus_aux_i: - { \mathpalette \chemmacros_fplus_aux_ii: \bigcirc } +\cs_new:Npn \__chemmacros_fplus: + { \mathpalette \__chemmacros_fplus_aux: \bigcirc } % TODO: can I rewrite this in a more "expl3-way"? -\cs_new:Npn \chemmacros_fplus_aux_ii: #1#2 +\cs_new:Npn \__chemmacros_fplus_aux: #1#2 { \ooalign { @@ -600,12 +599,12 @@ } \cs_new_protected:Npn \chemmacros_fminus: - { \ensuremath { \chemmacros_fminus_aux_i: } } + { \ensuremath { \__chemmacros_fminus: } } -\cs_new:Npn \chemmacros_fminus_aux_i: - { \mathpalette \chemmacros_fminus_aux_aux_ii: \bigcirc } +\cs_new:Npn \__chemmacros_fminus: + { \mathpalette \__chemmacros_fminus_aux_aux: \bigcirc } -\cs_new:Npn \chemmacros_fminus_aux_aux_ii: #1#2 +\cs_new:Npn \__chemmacros_fminus_aux_aux: #1#2 { \ooalign { @@ -667,7 +666,7 @@ % --------------------------------------------------------------------------- % % transition state symbol -\cs_new:Npn \chemmacros_transition_state_aux: +\cs_new:Npn \__chemmacros_transition_state: { \text { @@ -689,7 +688,7 @@ { \textstyle } { \scriptstyle } { \scriptscriptstyle } - \chemmacros_transition_state_aux: + \__chemmacros_transition_state: } } @@ -941,9 +940,8 @@ { \cs_set_eq:NN \Nu \chemmacros_Nu:w } } -\NewDocumentCommand \ba { o } +\cs_new:Npn \chemmacros_ba: { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } } \bool_if:NTF \l__chemmacros_particle_elpair_bool { \chemmacros_elpair:n { ba } \mch } { @@ -954,6 +952,14 @@ \chemmacros_xspace: } +\NewDocumentCommand \ba { o } + { + \group_begin: + \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } } + \chemmacros_ba: + \group_end: + } + \cs_new:Npn \chemmacros_elpair:n #1 { \bool_if:NTF \l__chemmacros_chemfig_bool @@ -1067,6 +1073,9 @@ { cip-kern .dim_set:N = \l__chemmacros_cip_kern_dim } \NewDocumentCommand \cip { m } + { \chemmacros_cip:n { #1 } } + +\cs_new:Npn \chemmacros_cip:n #1 { \cs_if_exist:NTF \EmbracOff { \textit* { (#1) } } @@ -1082,7 +1091,7 @@ % TikZ needs : to be other \ExplSyntaxOff -\NewDocumentCommand\Sconf{O{S}} +\def\chemmacros@sconf#1% {% \tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex] { @@ -1091,7 +1100,7 @@ }% } -\NewDocumentCommand\Rconf{O{R}} +\def\chemmacros@rconf#1% {% \tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex] { @@ -1101,6 +1110,9 @@ } \ExplSyntaxOn +\NewDocumentCommand \Sconf { O{S} } { \chemmacros@sconf { #1 } } +\NewDocumentCommand \Rconf { O{R} } { \chemmacros@rconf { #1 } } + % E(ntgegen)/Z(usammen) \DeclareChemIUPAC \E { \cip { E } } \DeclareChemIUPAC \Z { \cip { Z } } @@ -1375,7 +1387,7 @@ \chemmacros_xspace: } -\NewDocumentCommand \p { m } +\cs_new:Npn \chemmacros_p:n #1 { \group_begin: \chemmacros_p_style:n { p } @@ -1383,15 +1395,24 @@ \group_end: } +\NewDocumentCommand \p { m } + { \chemmacros_p:n { #1 } } + \cs_new_protected:Npn \pH - { \p { \chemmacros_chemformula:n { H } } \chemmacros_xspace: } + { + \chemmacros_p:n { \chemmacros_chemformula:n { H } } + \chemmacros_xspace: + } \cs_new_protected:Npn \pOH - { \p { \chemmacros_chemformula:n { OH } } \chemmacros_xspace: } + { + \chemmacros_p:n { \chemmacros_chemformula:n { OH } } + \chemmacros_xspace: + } \NewDocumentCommand \pKa { o } { - \p + \chemmacros_p:n { \Ka \IfNoValueF { #1 } { \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } } @@ -1401,7 +1422,7 @@ \NewDocumentCommand \pKb { o } { - \p + \chemmacros_p:n { \Kb \IfNoValueF { #1 } { \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } } @@ -1440,7 +1461,7 @@ \tl_new:N \l__chemmacros_mech_mol_tl \tl_new:N \l__chemmacros_mech_ar_tl -\cs_new_protected:Npn \chemmacros_set_mech:nnn #1#2#3 +\cs_new_protected:Npn \__chemmacros_set_mech:nnn #1#2#3 { \tl_set:Nn \l__chemmacros_mech_type_tl { #1 } \tl_set:Nn \l__chemmacros_mech_mol_tl { #2 } @@ -1452,55 +1473,55 @@ type .choice: , type / .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {N} } \) } { } } , type / 1 .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {N} } \) 1 } { } } , type / 2 .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {N} } \) 2 } { } } , type / se .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {E} } \) } { } } , type / 1e .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {E} } \) 1 } { } } , type / 2e .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {E} } \) 2 } { } } , type / ar .code:n = { - \chemmacros_set_mech:nnn { S } + \__chemmacros_set_mech:nnn { S } { \( \c_math_subscript_token { \text {E} } \) } { Ar - } } , type / e .code:n = - { \chemmacros_set_mech:nnn { E } { } { } } , + { \__chemmacros_set_mech:nnn { E } { } { } } , type / e1 .code:n = - { \chemmacros_set_mech:nnn { E } { 1 } { } } , + { \__chemmacros_set_mech:nnn { E } { 1 } { } } , type / e2 .code:n = - { \chemmacros_set_mech:nnn { E } { 2 } { } } , + { \__chemmacros_set_mech:nnn { E } { 2 } { } } , type / cb .code:n = { - \chemmacros_set_mech:nnn { E } + \__chemmacros_set_mech:nnn { E } { 1 \( \c_math_subscript_token { \text {cb} } \) } { } } , @@ -1550,15 +1571,15 @@ \int_new:N \l__chemmacros_ox_number_int \fp_new:N \l__chemmacros_ox_number_fp -\cs_new_protected:Npn \chemmacros_ox_process_number:n #1 +\cs_new_protected:Npn \__chemmacros_ox_process_number:n #1 { \bool_if:NTF \l__chemmacros_ox_parse_bool { \tl_if_in:nnTF { #1 } { / } - { \chemmacros_ox_fraction:n #1 } + { \__chemmacros_ox_fraction:n #1 } { - \chemmacros_ox_sign:n { #1 } - \chemmacros_ox_value:n { #1 } + \__chemmacros_ox_sign:n { #1 } + \__chemmacros_ox_value:n { #1 } } } { #1 } @@ -1574,16 +1595,16 @@ slash-symbol-font = lmr } -\cs_new:Npn \chemmacros_ox_fraction:n #1/#2 +\cs_new:Npn \__chemmacros_ox_fraction:n #1/#2 { \bool_set_false:N \l__chemmacros_ox_format_roman_bool - \chemmacros_ox_sign:n { #1 } + \__chemmacros_ox_sign:n { #1 } \bool_if:NTF \l__chemmacros_ox_side_bool - { \sfrac { \chemmacros_ox_value:n { #1 } } { #2 } } - { \sfrac [ chemmacros-ox-frac ] { \chemmacros_ox_value:n { #1 } } { #2 } } + { \sfrac { \__chemmacros_ox_value:n { #1 } } { #2 } } + { \sfrac [ chemmacros-ox-frac ] { \__chemmacros_ox_value:n { #1 } } { #2 } } } -\cs_new:Npn \chemmacros_ox_sign:n #1 +\cs_new:Npn \__chemmacros_ox_sign:n #1 { \fp_compare:nNnT { #1 } > { 0 } { \bool_if:NT \l__chemmacros_ox_explicit_sign_bool { $+$ } } @@ -1593,23 +1614,23 @@ { $-$ } } -\cs_new_protected:Npn \chemmacros_ox_value:n #1 +\cs_new_protected:Npn \__chemmacros_ox_value:n #1 { \fp_set:Nn \l__chemmacros_ox_number_fp { #1 } \fp_abs:N \l__chemmacros_ox_number_fp - \chemmacros_ox_is_integer:V \l__chemmacros_ox_number_fp + \__chemmacros_ox_is_integer:V \l__chemmacros_ox_number_fp \bool_if:NTF \l__chemmacros_ox_format_roman_bool { - \chemmacros_fp_to_Roman:V \l__chemmacros_ox_number_fp + \__chemmacros_fp_to_Roman:V \l__chemmacros_ox_number_fp } { \bool_if:NTF \l__chemmacros_ox_integer_bool - { \chemmacros_fp_to_arabic:V \l__chemmacros_ox_number_fp } - { \chemmacros_fp_show:V \l__chemmacros_ox_number_fp } + { \__chemmacros_fp_to_arabic:V \l__chemmacros_ox_number_fp } + { \__chemmacros_fp_show:V \l__chemmacros_ox_number_fp } } } -\cs_new_protected:Npn \chemmacros_ox_is_integer:n #1 +\cs_new_protected:Npn \__chemmacros_ox_is_integer:n #1 { \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } \fp_add:Nn \l__chemmacros_tmpa_tl { 1 } @@ -1622,9 +1643,9 @@ \bool_set_false:N \l__chemmacros_ox_format_roman_bool } } -\cs_generate_variant:Nn \chemmacros_ox_is_integer:n { V } +\cs_generate_variant:Nn \__chemmacros_ox_is_integer:n { V } -\cs_new_protected:Npn \chemmacros_fp_to_Roman:n #1 +\cs_new_protected:Npn \__chemmacros_fp_to_Roman:n #1 { \group_begin: \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } @@ -1635,18 +1656,18 @@ { \int_to_Roman:n { \int_use:N \l__chemmacros_tmpa_int } } \group_end: } -\cs_generate_variant:Nn \chemmacros_fp_to_Roman:n { V } +\cs_generate_variant:Nn \__chemmacros_fp_to_Roman:n { V } -\cs_new_protected:Npn \chemmacros_fp_to_arabic:n #1 +\cs_new_protected:Npn \__chemmacros_fp_to_arabic:n #1 { \group_begin: \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } \fp_to_tl:N \l__chemmacros_tmpa_tl \group_end: } -\cs_generate_variant:Nn \chemmacros_fp_to_arabic:n { V } +\cs_generate_variant:Nn \__chemmacros_fp_to_arabic:n { V } -\cs_new_protected:Npn \chemmacros_fp_show:n #1 +\cs_new_protected:Npn \__chemmacros_fp_show:n #1 { \group_begin: \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } @@ -1659,9 +1680,9 @@ { \fp_to_tl:N \l__chemmacros_tmpa_tl } \group_end: } -\cs_generate_variant:Nn \chemmacros_fp_show:n { V } +\cs_generate_variant:Nn \__chemmacros_fp_show:n { V } -\cs_new_protected:Npn \chemmacros_ox_write:nn #1#2 +\cs_new_protected:Npn \__chemmacros_ox_write:nn #1#2 { \tl_if_blank:nT { #1 } { \msg_error:nnx { chemmacros } { ox } { oxidation~number~missing } } @@ -1674,13 +1695,13 @@ \chemmacros_text:n { #2 - $ ^ { \text { \tiny \chemmacros_ox_process_number:n { #1 } } } $ + $ ^ { \text { \tiny \__chemmacros_ox_process_number:n { #1 } } } $ } } \bool_if:NT \l__chemmacros_ox_side_bool { \chemmacros_text:n - { #2 ( \text { \chemmacros_ox_process_number:n { #1 } } ) } + { #2 ( \text { \__chemmacros_ox_process_number:n { #1 } } ) } } \bool_if:NT \l__chemmacros_ox_top_bool { @@ -1690,7 +1711,7 @@ { \clap } { \rlap } { \chemmacros_text:n - { \tiny \chemmacros_ox_process_number:n { #1 } } + { \tiny \__chemmacros_ox_process_number:n { #1 } } } } { \chemmacros_text:n { #2 } } @@ -1698,21 +1719,21 @@ } } -\cs_new_protected:Npn \chemmacros_ox_pos_top: +\cs_new_protected:Npn \__chemmacros_ox_pos_top: { \bool_set_true:N \l__chemmacros_ox_top_bool \bool_set_false:N \l__chemmacros_ox_super_bool \bool_set_false:N \l__chemmacros_ox_side_bool } -\cs_new_protected:Npn \chemmacros_ox_pos_super: +\cs_new_protected:Npn \__chemmacros_ox_pos_super: { \bool_set_false:N \l__chemmacros_ox_top_bool \bool_set_true:N \l__chemmacros_ox_super_bool \bool_set_false:N \l__chemmacros_ox_side_bool } -\cs_new_protected:Npn \chemmacros_ox_pos_side: +\cs_new_protected:Npn \__chemmacros_ox_pos_side: { \bool_set_false:N \l__chemmacros_ox_top_bool \bool_set_false:N \l__chemmacros_ox_super_bool @@ -1722,9 +1743,9 @@ \keys_define:nn { chemmacros / ox } { pos .choice: , - pos / top .code:n = \chemmacros_ox_pos_top: , - pos / super .code:n = \chemmacros_ox_pos_super: , - pos / side .code:n = \chemmacros_ox_pos_side: , + pos / top .code:n = \__chemmacros_ox_pos_top: , + pos / super .code:n = \__chemmacros_ox_pos_super: , + pos / side .code:n = \__chemmacros_ox_pos_side: , roman .bool_set:N = \l__chemmacros_ox_format_roman_bool , roman .default:n = true , parse .bool_set:N = \l__chemmacros_ox_parse_bool , @@ -1746,11 +1767,11 @@ \cs_new_protected:Npn \chemmacros_ox:nnnn #1#2#3#4 { \group_begin: - \tl_if_blank:nF { #1 } { \chemmacros_ox_pos_super: } + \tl_if_blank:nF { #1 } { \__chemmacros_ox_pos_super: } \bool_if:NTF \l__chemmacros_version_one_bool { \keys_set:nn { chemmacros / ox } { parse = false } } { \tl_if_blank:nF { #2 } { \keys_set:nn { chemmacros / ox } { #2 } } } - \chemmacros_ox_write:nn { #3 } { #4 } + \__chemmacros_ox_write:nn { #3 } { #4 } \group_end: } @@ -1801,7 +1822,7 @@ { \node [inner~sep=0] (#1) { #2 } ; } } -\cs_new_protected:Npn \chemmacros_redox_coordinates:nn #1#2 +\cs_new_protected:Npn \__chemmacros_redox_coordinates:nn #1#2 { \tl_set:Nn \l__chemmacros_redox_begin_tl { #1 } \tl_set:Nn \l__chemmacros_redox_end_tl { #2 } @@ -1812,8 +1833,9 @@ \tl_clear:N \l__chemmacros_redox_begin_tl \tl_clear:N \l__chemmacros_redox_end_tl \tl_clear:N \l__chemmacros_redox_tikz_tl - \chemmacros_redox_coordinates:nn { #1 } { #2 } - \tl_if_empty:nF { #3 } { \tl_set:Nn \l__chemmacros_redox_tikz_tl { #3 } } + \__chemmacros_redox_coordinates:nn { #1 } { #2 } + \tl_if_blank:nF { #3 } + { \tl_set:Nn \l__chemmacros_redox_tikz_tl { #3 } } \tl_if_blank:nTF { #4 } { \fp_set:Nn \l__chemmacros_redox_shift_fp { 1 } @@ -1870,8 +1892,8 @@ { \chemmacros_redox:nnnnn #1 { } { } { #4 } } { \IfNoValueTF { #3 } - { \chemmacros_redox:nnnnn #1 { } { } { #4 } } - { \chemmacros_redox:nnnnn #1 { } { #3 } { #4 } } + { \chemmacros_redox:nnnnn #1 { #2 } { } { #4 } } + { \chemmacros_redox:nnnnn #1 { #2 } { #3 } { #4 } } } } @@ -1934,30 +1956,30 @@ \bool_new:N \l__chemmacros_nmr_custom_command_active_bool \bool_new:N \l__chemmacros_nmr_custom_command_used_bool -\cs_new_protected:Npn \chemmacros_nmr_nucleus:w #1,#2 \q_stop +\cs_new_protected:Npn \__chemmacros_nmr_nucleus:w #1,#2 \q_stop { \tl_gset:Nn \g__chemmacros_nmr_isotope_tl { #1 } \tl_if_in:nnTF { #2 } { [ } - { \chemmacros_nmr_element:w #2 \q_stop } + { \__chemmacros_nmr_element:w #2 \q_stop } { \tl_gset:No \g__chemmacros_nmr_element_tl { #2 } \tl_gclear:N \g__chemmacros_nmr_element_coupled_tl } } -\cs_new_protected:Npn \chemmacros_nmr_element:w #1[#2] \q_stop +\cs_new_protected:Npn \__chemmacros_nmr_element:w #1[#2] \q_stop { \tl_gset:Nn \g__chemmacros_nmr_element_tl { #1 } \tl_gset:Nn \g__chemmacros_nmr_element_coupled_tl { #2 } } -\cs_new_protected:Npn \chemmacros_nmr_default_nucleus:w #1,#2 \q_stop +\cs_new_protected:Npn \__chemmacros_nmr_default_nucleus:w #1,#2 \q_stop { \tl_set:Nn \l__chemmacros_nmr_isotope_default_tl { #1 } \tl_set:Nn \l__chemmacros_nmr_element_default_tl { #2 } } -\cs_new_protected:Npn \chemmacros_nmr_base:nn #1#2 +\cs_new_protected:Npn \__chemmacros_nmr_base:nn #1#2 { \tl_if_blank:VF \g__chemmacros_nmr_element_coupled_tl { @@ -1979,19 +2001,19 @@ - NMR } } -\cs_generate_variant:Nn \chemmacros_nmr_base:nn { VV } +\cs_generate_variant:Nn \__chemmacros_nmr_base:nn { VV } -\cs_new:Npn \chemmacros_nmr_frequency:n #1 +\cs_new:Npn \__chemmacros_nmr_frequency:n #1 { \tl_if_in:nnTF { #1 } { , } - { \chemmacros_nmr_frequency_aux_i:w #1 \q_stop } - { \chemmacros_nmr_frequency_aux_ii:n { #1 } } + { \__chemmacros_nmr_frequency_aux_i:w #1 \q_stop } + { \__chemmacros_nmr_frequency_aux_ii:n { #1 } } } -\cs_new:Npn \chemmacros_nmr_frequency_aux_i:w #1,#2 \q_stop +\cs_new:Npn \__chemmacros_nmr_frequency_aux_i:w #1,#2 \q_stop { \SI { #1 } { #2 } } -\cs_new:Npn \chemmacros_nmr_frequency_aux_ii:n #1 +\cs_new:Npn \__chemmacros_nmr_frequency_aux_ii:n #1 { \SI { #1 } { \tl_use:N \l__chemmacros_nmr_unit_tl } } \keys_define:nn { chemmacros / nmr } @@ -1999,7 +2021,7 @@ unit .tl_set:N = \l__chemmacros_nmr_unit_tl , unit .default:n = \mega\hertz , nucleus .code:n = - { \chemmacros_nmr_default_nucleus:w #1 \q_stop } , + { \__chemmacros_nmr_default_nucleus:w #1 \q_stop } , nucleus .default:n = { 1,H } , format .tl_set:N = \l__chemmacros_nmr_format_tl , pos-number .choice: , @@ -2048,6 +2070,7 @@ \NewDocumentCommand \RenewChemNMR { mm } { \chemmacros_renew_nmr:Nn #1 { #2 } } +% TODO: separate document and module level \AtBeginDocument { % \NMR{<num>,<elem>}(<num>,<unit>)[<solvent>] ALL arguments are optional @@ -2079,24 +2102,24 @@ { \bool_set_true:N \l__chemmacros_nmr_comma_bool } \IfNoValueTF { #2 } { - \chemmacros_nmr_nucleus:w + \__chemmacros_nmr_nucleus:w \l__chemmacros_nmr_isotope_default_tl , \l__chemmacros_nmr_element_default_tl \q_stop } - { \chemmacros_nmr_nucleus:w #2 \q_stop } + { \__chemmacros_nmr_nucleus:w #2 \q_stop } \mode_if_math:TF { \text { \group_begin: \tl_use:N \l__chemmacros_nmr_format_tl - \chemmacros_nmr_base:VV + \__chemmacros_nmr_base:VV \g__chemmacros_nmr_isotope_tl \g__chemmacros_nmr_element_tl \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ~ ( } \bool_if:NT \l__chemmacros_nmr_frequency_bool - { \chemmacros_nmr_frequency:n { #3 } } + { \__chemmacros_nmr_frequency:n { #3 } } \bool_if:NT \l__chemmacros_nmr_comma_bool { , ~ } \bool_if:NT \l__chemmacros_nmr_solvent_bool @@ -2116,13 +2139,13 @@ { \group_begin: \tl_use:N \l__chemmacros_nmr_format_tl - \chemmacros_nmr_base:VV + \__chemmacros_nmr_base:VV \g__chemmacros_nmr_isotope_tl \g__chemmacros_nmr_element_tl \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ~ ( } \bool_if:NT \l__chemmacros_nmr_frequency_bool - { \chemmacros_nmr_frequency:n { #3 } } + { \__chemmacros_nmr_frequency:n { #3 } } \bool_if:NT \l__chemmacros_nmr_comma_bool { , ~ } \bool_if:NT \l__chemmacros_nmr_solvent_bool @@ -2177,11 +2200,11 @@ \group_begin: \IfNoValueF { #1 } { \keys_set:nn { chemmacros / nmr } { #1 } } \bool_set_true:N \l__chemmacros_nmr_inner_bool - \cs_set_eq:NN \# \chemmacros_nmr_number:n - \cs_set_eq:NN \pos \chemmacros_nmr_position:n - \cs_set_eq:NN \J \chemmacros_nmr_coupling:w + \cs_set_eq:NN \# \chemmacros_nmr_number:n + \cs_set_eq:NN \pos \chemmacros_nmr_position:n + \cs_set_eq:NN \J \chemmacros_nmr_coupling:w \cs_set_eq:NN \data \chemmacros_data:w - \cs_set_eq:NN \val \chemmacros_val:n + \cs_set_eq:NN \val \chemmacros_val:n \bool_if:NT \l__chemmacros_nmr_list_bool { \list {} { \l__chemmacros_nmr_list_setup_tl } } } @@ -2223,27 +2246,27 @@ \tl_clear:N \l__chemmacros_nmr_coupling_nuclei_tl \tl_clear:N \l__chemmacros_nmr_coupling_bonds_tl \peek_meaning:NTF ( - { \chemmacros_nmr_coupling_auxi:w } - { \chemmacros_nmr_coupling_auxii:w } + { \__chemmacros_nmr_coupling:w } + { \__chemmacros_nmr_coupling_aux_i:w } } -\cs_new_protected:Npn \chemmacros_nmr_coupling_auxi:w (#1;#2) +\cs_new_protected:Npn \__chemmacros_nmr_coupling:w (#1;#2) { \tl_set:Nn \l__chemmacros_nmr_coupling_bonds_tl { #1 } \tl_set:Nn \l__chemmacros_nmr_coupling_nuclei_tl { #2 } \tl_put_right:Nn \l__chemmacros_nmr_coupling_nuclei_tl { ) } \tl_put_left:Nn \l__chemmacros_nmr_coupling_nuclei_tl { ( } - \chemmacros_nmr_coupling_auxii:w + \__chemmacros_nmr_coupling_aux_i:w } -\cs_new:Npn \chemmacros_nmr_coupling_auxii:w +\cs_new:Npn \__chemmacros_nmr_coupling_aux_i:w { \peek_meaning:NTF [ - { \chemmacros_nmr_coupling_auxiii:w } - { \chemmacros_nmr_coupling_auxiv:n } + { \__chemmacros_nmr_coupling_aux_ii:w } + { \__chemmacros_nmr_coupling_aux_iii:n } } -\cs_new:Npn \chemmacros_nmr_coupling_auxiii:w [#1]#2 +\cs_new:Npn \__chemmacros_nmr_coupling_aux_ii:w [#1]#2 { \group_begin: \sisetup @@ -2259,7 +2282,7 @@ \group_end: } -\cs_new:Npn \chemmacros_nmr_coupling_auxiv:n #1 +\cs_new:Npn \__chemmacros_nmr_coupling_aux_iii:n #1 { \group_begin: \sisetup @@ -2409,15 +2432,15 @@ \bool_if:NTF \l__chemmacros_german_bool { \prop_map_function:NN \l__chemmacros_phases_german_prop - \chemmacros_define_phases:nn + \__chemmacros_define_phases:nn } { \prop_map_function:NN \l__chemmacros_phases_prop - \chemmacros_define_phases:nn + \__chemmacros_define_phases:nn } } -\cs_new_protected:Npn \chemmacros_define_phases:nn #1#2 +\cs_new_protected:Npn \__chemmacros_define_phases:nn #1#2 { \cs_set:cpn { #1 } { @@ -2542,7 +2565,7 @@ \newcounter { reaction } % switch to reaction tags -\cs_new:Npn \chemmacros_begin_reaction: +\cs_new:Npn \__chemmacros_begin_reaction: { % create individual names for `hyperref': \bool_if:NT \l__chemmacros_hyperref_bool @@ -2561,7 +2584,7 @@ } % switch back to equation tags -\cs_new:Npn \chemmacros_end_reaction: +\cs_new:Npn \__chemmacros_end_reaction: { \setcounter { reaction } { \value { equation } } \setcounter { equation } { \value { chemmacros_save_reaction } } @@ -2601,19 +2624,19 @@ { \NewEnviron { #2 } [ 2 ] [] { - \chemmacros_begin_reaction: + \__chemmacros_begin_reaction: \AddRxnDesc { ##1 } \begin { #3 } { ##2 } - \chemmacros_equation_chemformula:o { \BODY } + \chemmacros_equation_chemformula:V \BODY \end{ #3 } - \chemmacros_end_reaction: + \__chemmacros_end_reaction: } \bool_if:NT \l__chemmacros_reactions_star_bool { \NewEnviron { #2* } [ 1 ] { \begin { #3* } { ##1 } - \chemmacros_equation_chemformula:o { \BODY } + \chemmacros_equation_chemformula:V \BODY \end { #3* } } } @@ -2621,19 +2644,19 @@ { \NewEnviron { #2 } [ 1 ] [] { - \chemmacros_begin_reaction: + \__chemmacros_begin_reaction: \AddRxnDesc { ##1 } \begin { #3 } - \chemmacros_equation_chemformula:o { \BODY } + \chemmacros_equation_chemformula:V \BODY \end { #3 } - \chemmacros_end_reaction: + \__chemmacros_end_reaction: } \bool_if:NT \l__chemmacros_reactions_star_bool { \NewEnviron { #2* } { \begin { #3* } - \chemmacros_equation_chemformula:o { \BODY } + \chemmacros_equation_chemformula:V \BODY \end { #3* } } } @@ -2655,7 +2678,7 @@ { \cee { #1 } } { \ch { #1 } } } -\cs_generate_variant:Nn \chemmacros_equation_chemformula:n { o } +\cs_generate_variant:Nn \chemmacros_equation_chemformula:n { V } % predefined: \bool_if:NF \l__chemmacros_version_one_bool @@ -2807,26 +2830,25 @@ \l__chemmacros_thermod_delta_default_tl } -% TODO: separate document and module level % \DeclareChemState[<keyval>]{<name>}{<symbol>}{<unit>} \bool_if:NF \l__chemmacros_version_one_bool { \cs_new:Npn \DeclareChemState { \bool_set_false:N \l__chemmacros_renewstate_bool - \chemmacros_setnewstate_reset: + \__chemmacros_setnewstate_reset: \peek_meaning:NTF [ - { \setnewstate_aux_i:n } - { \setnewstate_aux_ii:nnn } + { \__chemmacros_setnewstate:n } + { \__chemmacros_setnewstate_aux:nnn } } % \RenewChemState[<keyval>]{<name>}{<symbol>}{<unit>} \cs_new:Npn \RenewChemState { \bool_set_true:N \l__chemmacros_renewstate_bool - \chemmacros_setnewstate_reset: + \__chemmacros_setnewstate_reset: \peek_meaning:NTF [ - { \setnewstate_aux_i:n } - { \setnewstate_aux_ii:nnn } + { \__chemmacros_setnewstate:n } + { \__chemmacros_setnewstate_aux:nnn } } \cs_set:Npn \setnewstate { @@ -2842,21 +2864,21 @@ } } -\cs_new:Npn \chemmacros_setnewstate_reset: +\cs_new:Npn \__chemmacros_setnewstate_reset: { - \tl_set:Nn \l__chemmacros_thermod_subscript_left_default_tl { true } + \tl_set:Nn \l__chemmacros_thermod_subscript_left_default_tl { true } \tl_clear:N \l__chemmacros_thermod_subscript_default_tl - \tl_set:Nn \l__chemmacros_thermod_exponent_default_tl { \standardstate } - \tl_set:Nn \l__chemmacros_thermod_delta_default_tl { \Delta } + \tl_set:Nn \l__chemmacros_thermod_exponent_default_tl { \standardstate } + \tl_set:Nn \l__chemmacros_thermod_delta_default_tl { \Delta } } -\cs_new:Npn \setnewstate_aux_i:n [#1] +\cs_new:Npn \__chemmacros_setnewstate:n [#1] { \keys_set:nn { chemmacros / setnewstate } { #1 } - \setnewstate_aux_ii:nnn + \__chemmacros_setnewstate_aux:nnn } -\cs_new:Npn \setnewstate_aux_ii:nnn #1#2#3 +\cs_new:Npn \__chemmacros_setnewstate_aux:nnn #1#2#3 { \bool_if:NTF \l__chemmacros_renewstate_bool { @@ -2942,25 +2964,25 @@ { \tl_use:N \l__chemmacros_thermod_subscript_left_tl } { true } { \chemmacros_state:fnn - { - subscript-left = true , - exponent = - { \tl_use:N \l__chemmacros_thermod_exponent_tl } , - delta = - { \tl_use:N \l__chemmacros_thermod_delta_tl } - } - { #2 } + { + subscript-left = true , + exponent = + { \tl_use:N \l__chemmacros_thermod_exponent_tl } , + delta = + { \tl_use:N \l__chemmacros_thermod_delta_tl } + } + { #2 } } { \chemmacros_state:fnn - { - subscript-left = false , - exponent = - { \tl_use:N \l__chemmacros_thermod_exponent_tl } , - delta = - { \tl_use:N \l__chemmacros_thermod_delta_tl } - } - { #2 } + { + subscript-left = false , + exponent = + { \tl_use:N \l__chemmacros_thermod_exponent_tl } , + delta = + { \tl_use:N \l__chemmacros_thermod_delta_tl } + } + { #2 } } { \tl_use:N \l__chemmacros_thermod_subscript_tl } = @@ -3015,7 +3037,6 @@ angle .default:n = 0 } -% TODO separate document and module level % \newman[<keyval>](<angle>){<1>,<2>,<3>,<4>,<5>,<6>} \bool_if:NF \l__chemmacros_version_one_bool { @@ -3024,20 +3045,24 @@ \group_begin: \IfNoValueF { #1 } { \keys_set:nn { chemmacros / newman } { #1 } } \IfNoValueTF { #2 } - { - \fp_set_eq:NN - \l__chemmacros_newman_rel_angle_fp - \l__chemmacros_newman_abs_angle_fp - } - { \fp_set:Nn \l__chemmacros_newman_rel_angle_fp { #2 } } - \chemmacros_newman_atoms:nnnnnn #3 + { \chemmacros_newman_atoms:nnnnnnn { } #3 } + { \chemmacros_newman_atoms:nnnnnnn { #2 } #3 } \group_end: } } % place atoms: -\cs_new:Npn \chemmacros_newman_atoms:nnnnnn #1#2#3#4#5#6 +% #1: angle +% #2 - #7: atoms +\cs_new:Npn \chemmacros_newman_atoms:nnnnnnn #1#2#3#4#5#6#7 { + \tl_if_blank:nTF { #1 } + { + \fp_set_eq:NN + \l__chemmacros_newman_rel_angle_fp + \l__chemmacros_newman_abs_angle_fp + } + { \fp_set:Nn \l__chemmacros_newman_rel_angle_fp { #1 } } \chemmacros_tikz_picture:xn { scale = \fp_to_tl:N \l__chemmacros_newman_scale_fp , @@ -3060,24 +3085,24 @@ \chemmacros_tikz_draw:f { \tl_use:N \l__chemmacros_newman_tikz_ring_tl } (0,0) circle (\fp_to_dim:N \l__chemmacros_newman_scale_fp * 15) ; - \chemmacros_newman_back_node:nf + \chemmacros_newman_back_node:nn { 30 } - { \IfNoValueF { #5 } { #5 } } + { \IfNoValueF { #6 } { #6 } } \chemmacros_newman_back_node:nf { 150 } - { \IfNoValueF { #6 } { #6 } } + { \IfNoValueF { #7 } { #7 } } \chemmacros_newman_back_node:nf { 270 } - { \IfNoValueF { #4 } { #4 } } + { \IfNoValueF { #5 } { #5 } } \chemmacros_newman_front_node:nf { 90 } - { \IfNoValueF { #1 } { #1 } } + { \IfNoValueF { #2 } { #2 } } \chemmacros_newman_front_node:nf { 210 } - { \IfNoValueF { #2 } { #2 } } + { \IfNoValueF { #3 } { #3 } } \chemmacros_newman_front_node:nf { 330 } - { \IfNoValueF { #3 } { #3 } } + { \IfNoValueF { #4 } { #4 } } } } @@ -3221,19 +3246,19 @@ \fp_new:N \l__chemmacros_orbital_opacity_fp \fp_set:Nn \l__chemmacros_orbital_opacity_fp { 0.5 } -\cs_new:Npn \chemmacros_orbital_options: +\cs_new:Npn \__chemmacros_orbital_options: { - \chemmacros_orbital_overlay: , \chemmacros_orbital_opacity: , + \__chemmacros_orbital_overlay: , \__chemmacros_orbital_opacity: , inner~sep=0 , outer~sep=0 , line~width=.2pt , rotate = { \fp_use:N \l__chemmacros_orbital_angle_fp - 90 } , baseline , minimum~size = 0 } -\cs_new:Npn \chemmacros_orbital_overlay: +\cs_new:Npn \__chemmacros_orbital_overlay: { \bool_if:NT \l__chemmacros_orbital_overlay_bool { overlay } } -\cs_new:Npn \chemmacros_orbital_opacity: +\cs_new:Npn \__chemmacros_orbital_opacity: { \bool_if:NT \l__chemmacros_orbital_opacity_bool { opacity = { \fp_use:N \l__chemmacros_orbital_opacity_fp } } @@ -3241,7 +3266,7 @@ % --------------------------------------------------------------------------- % % s-orbitals -\cs_new:Npn \chemmacros_orbital_type_s: +\cs_new:Npn \__chemmacros_orbital_type_s: { \bool_set_true:N \l__chemmacros_orbital_type_s_bool \bool_set_false:N \l__chemmacros_orbital_type_p_bool @@ -3261,9 +3286,9 @@ color .tl_set:N = \l__chemmacros_orbital_s_color_tl } -\cs_new:Npn \chemmacros_orbital_s_draw:n #1 +\cs_new:Npn \__chemmacros_orbital_s_draw:n #1 { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / s } { #1 } } + \keys_set:nn { chemmacros / orbital / s } { #1 } \bool_if:NTF \l__chemmacros_orbital_s_phase_bool { \tl_if_in:NnTF \l__chemmacros_orbital_s_color_tl { ! } @@ -3280,7 +3305,7 @@ \tl_set:Nn \l__chemmacros_orbital_s_phase_color_tl { black ! 5 } } - \chemmacros_tikz_picture:xn{ \chemmacros_orbital_options: } + \chemmacros_tikz_picture:xn{ \__chemmacros_orbital_options: } { \chemmacros_tikz_shade:f { ball~color = \l__chemmacros_orbital_s_phase_color_tl } @@ -3290,7 +3315,7 @@ % --------------------------------------------------------------------------- % % p-orbitals -\cs_new:Npn \chemmacros_orbital_type_p: +\cs_new:Npn \__chemmacros_orbital_type_p: { \bool_set_false:N \l__chemmacros_orbital_type_s_bool \bool_set_true:N \l__chemmacros_orbital_type_p_bool @@ -3313,9 +3338,9 @@ half .default:n = true } -\cs_new:Npn \chemmacros_orbital_p_draw:n #1 +\cs_new:Npn \__chemmacros_orbital_p_draw:n #1 { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / p } { #1 } } + \keys_set:nn { chemmacros / orbital / p } { #1 } \bool_if:NTF \l__chemmacros_orbital_p_phase_bool { \tl_if_in:NnTF \l__chemmacros_orbital_p_color_tl { ! } @@ -3344,7 +3369,7 @@ \tl_set:Nn \l__chemmacros_orbital_p_pphase_color_tl { black ! 5 } } - \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { @@ -3386,7 +3411,7 @@ % --------------------------------------------------------------------------- % % sp-orbitals -\cs_new:Npn \chemmacros_orbital_type_sp: +\cs_new:Npn \__chemmacros_orbital_type_sp: { \bool_set_false:N \l__chemmacros_orbital_type_s_bool \bool_set_false:N \l__chemmacros_orbital_type_p_bool @@ -3407,9 +3432,9 @@ color .tl_set:N = \l__chemmacros_orbital_sp_color_tl } -\cs_new:Npn \chemmacros_orbital_sp_draw:n #1 +\cs_new:Npn \__chemmacros_orbital_sp_draw:n #1 { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp } { #1 } } + \keys_set:nn { chemmacros / orbital / sp } { #1 } \bool_if:NTF \l__chemmacros_orbital_sp_phase_bool { \tl_if_in:NnTF \l__chemmacros_orbital_sp_color_tl { ! } @@ -3438,7 +3463,7 @@ \tl_set:Nn \l__chemmacros_orbital_sp_pphase_color_tl { black ! 5 } } - \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { @@ -3477,7 +3502,7 @@ % --------------------------------------------------------------------------- % % sp2-orbitals -\cs_new:Npn \chemmacros_orbital_type_sptwo: +\cs_new:Npn \__chemmacros_orbital_type_sptwo: { \bool_set_false:N \l__chemmacros_orbital_type_s_bool \bool_set_false:N \l__chemmacros_orbital_type_p_bool @@ -3498,9 +3523,9 @@ color .tl_set:N = \l__chemmacros_orbital_sptwo_color_tl } -\cs_new:Npn \chemmacros_orbital_sptwo_draw:n #1 +\cs_new:Npn \__chemmacros_orbital_sptwo_draw:n #1 { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp2 } { #1 } } + \keys_set:nn { chemmacros / orbital / sp2 } { #1 } \bool_if:NTF \l__chemmacros_orbital_sptwo_phase_bool { \tl_if_in:NnTF \l__chemmacros_orbital_sptwo_color_tl { ! } @@ -3529,7 +3554,7 @@ \tl_set:Nn \l__chemmacros_orbital_sptwo_pphase_color_tl { black ! 5 } } - \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { @@ -3568,7 +3593,7 @@ % --------------------------------------------------------------------------- % % sp3-orbitals -\cs_new:Npn \chemmacros_orbital_type_spthree: +\cs_new:Npn \__chemmacros_orbital_type_spthree: { \bool_set_false:N \l__chemmacros_orbital_type_s_bool \bool_set_false:N \l__chemmacros_orbital_type_p_bool @@ -3589,9 +3614,9 @@ color .tl_set:N = \l__chemmacros_orbital_spthree_color_tl } -\cs_new:Npn \chemmacros_orbital_spthree_draw:n #1 +\cs_new:Npn \__chemmacros_orbital_spthree_draw:n #1 { - \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp3 } { #1 } } + \keys_set:nn { chemmacros / orbital / sp3 } { #1 } \bool_if:NTF \l__chemmacros_orbital_spthree_phase_bool { \tl_if_in:NnTF \l__chemmacros_orbital_spthree_color_tl { ! } @@ -3620,7 +3645,7 @@ \tl_set:Nn \l__chemmacros_orbital_spthree_pphase_color_tl { black ! 5 } } - \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { @@ -3674,28 +3699,34 @@ \keys_define:nn { chemmacros / orbital / type } { - s .code:n = { \chemmacros_orbital_type_s: } , - p .code:n = { \chemmacros_orbital_type_p: } , - sp .code:n = { \chemmacros_orbital_type_sp: } , - sp2 .code:n = { \chemmacros_orbital_type_sptwo: } , - sp3 .code:n = { \chemmacros_orbital_type_spthree: } + s .code:n = { \__chemmacros_orbital_type_s: } , + p .code:n = { \__chemmacros_orbital_type_p: } , + sp .code:n = { \__chemmacros_orbital_type_sp: } , + sp2 .code:n = { \__chemmacros_orbital_type_sptwo: } , + sp3 .code:n = { \__chemmacros_orbital_type_spthree: } + } + +\cs_new:Npn \chemmacros_orbital:n #1 + { + \bool_if:NT \l__chemmacros_orbital_type_s_bool + { \__chemmacros_orbital_s_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_p_bool + { \__chemmacros_orbital_p_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_sp_bool + { \__chemmacros_orbital_sp_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_sptwo_bool + { \__chemmacros_orbital_sptwo_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_spthree_bool + { \__chemmacros_orbital_spthree_draw:n { #1 } } } -% TODO separate document and module level \NewDocumentCommand \orbital { o m } { \group_begin: \keys_set:nn { chemmacros / orbital / type } { #2 } - \bool_if:NT \l__chemmacros_orbital_type_s_bool - { \chemmacros_orbital_s_draw:n { #1 } } - \bool_if:NT \l__chemmacros_orbital_type_p_bool - { \chemmacros_orbital_p_draw:n { #1 } } - \bool_if:NT \l__chemmacros_orbital_type_sp_bool - { \chemmacros_orbital_sp_draw:n { #1 } } - \bool_if:NT \l__chemmacros_orbital_type_sptwo_bool - { \chemmacros_orbital_sptwo_draw:n { #1 } } - \bool_if:NT \l__chemmacros_orbital_type_spthree_bool - { \chemmacros_orbital_spthree_draw:n { #1 } } + \IfNoValueTF { #1 } + { \chemmacros_orbital:n { } } + { \chemmacros_orbital:n { #1 } } \group_end: } @@ -3956,16 +3987,23 @@ Version history - changed defaults for horizontal spaces that have in set in ex into corresponding values in em. - improvements to the placement of sub- and superscripts -2012/02/19 - version 3.5a - bug fix: `ghsystem' recognizes language again -2013/??/?? - version 3.6 - support for use with the `breqn' package +2013/02/19 - version 3.5a - bug fix: `ghsystem' recognizes language again +2013/02/26 - version 3.6 - support for use with the `breqn' package - chemformula: math escaping also via \(\) - - chemformula: clearer escaping macros + - chemformula internal: clearer escaping macros - new options: `radical-vshift', `radical-hshift' and `radical-space' - bug fix: `radical-...' options are now correctly set - stoichiometric factors: add leading 0 if missing + - new option: `stoich-paren-parse' - internal changes: be way more rigid about protected and expandable macros + - internal changes: clearer distinction between + private macros and accessable module macros + - internal changes: clearer distinction between + document commands and module level commands + - chemformula's !()() syntax now also works with babel's + French % --------------------------------------------------------------------------- % % TODO: diff --git a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty index 72485964f2e..90e387ff1d8 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty @@ -98,40 +98,40 @@ \bool_new:N \l__ghsystem_engine_xetex_bool \bool_new:N \l__ghsystem_engine_luatex_bool -\tl_new:N \l__ghsystem_number_space_tl -\tl_new:N \l__ghsystem_celsius_temperature_tl -\tl_new:N \l__ghsystem_fahrenheit_temperature_tl -\tl_new:N \l__ghsystem_kg_mass_tl -\tl_new:N \l__ghsystem_lbs_mass_tl -\tl_new:N \l__ghsystem_dots_tl -\tl_set:Nn \l__ghsystem_dots_tl { \ldots } -\tl_new:N \l__ghsystem_picture_scale_default_tl -\tl_set:Nn \l__ghsystem_picture_scale_default_tl { .05 } -\tl_new:N \l__ghsystem_picture_scale_tl +\tl_new:N \l__ghsystem_number_space_tl +\tl_new:N \l__ghsystem_celsius_temperature_tl +\tl_new:N \l__ghsystem_fahrenheit_temperature_tl +\tl_new:N \l__ghsystem_kg_mass_tl +\tl_new:N \l__ghsystem_lbs_mass_tl +\tl_new:N \l__ghsystem_dots_tl +\tl_set:Nn \l__ghsystem_dots_tl { \ldots } +\tl_new:N \l__ghsystem_picture_scale_default_tl +\tl_set:Nn \l__ghsystem_picture_scale_default_tl { .05 } +\tl_new:N \l__ghsystem_picture_scale_tl \tl_set_eq:NN \l__ghsystem_picture_scale_tl \l__ghsystem_picture_scale_default_tl -\tl_new:N \l__ghsystem_picture_includegraphics_tl -\tl_new:N \l__ghsystem_picture_type_tl -\tl_new:N \l__ghsystem_identifier_tl -\tl_new:N \l__ghsystem_table_text_tl -\tl_new:N \l__ghsystem_table_next_page_tl -\tl_new:N \l__ghsystem_table_head_rule_tl -\tl_set:Nn \l__ghsystem_table_head_rule_tl { \hline } -\tl_new:N \l__ghsystem_table_top_head_rule_tl -\tl_set:Nn \l__ghsystem_table_top_head_rule_tl { \hline } -\tl_new:N \l__ghsystem_table_foot_rule_tl -\tl_set:Nn \l__ghsystem_table_foot_rule_tl { \hline } -\tl_new:N \l__ghsystem_table_last_foot_rule_tl -\tl_set:Nn \l__ghsystem_table_last_foot_rule_tl { \hline } -\tl_new:N \l__ghsystem_table_caption_tl -\tl_new:N \l__ghsystem_table_caption_short_tl -\tl_new:N \l__ghsystem_table_label_tl -\tl_set:Nn \l__ghsystem_table_label_tl { tab : ghs-hp-statements } - -\dim_new:N \l__ghsystem_table_line_sep_dim +\tl_new:N \l__ghsystem_picture_includegraphics_tl +\tl_new:N \l__ghsystem_picture_type_tl +\tl_new:N \l__ghsystem_identifier_tl +\tl_new:N \l__ghsystem_table_text_tl +\tl_new:N \l__ghsystem_table_next_page_tl +\tl_new:N \l__ghsystem_table_head_rule_tl +\tl_set:Nn \l__ghsystem_table_head_rule_tl { \hline } +\tl_new:N \l__ghsystem_table_top_head_rule_tl +\tl_set:Nn \l__ghsystem_table_top_head_rule_tl { \hline } +\tl_new:N \l__ghsystem_table_foot_rule_tl +\tl_set:Nn \l__ghsystem_table_foot_rule_tl { \hline } +\tl_new:N \l__ghsystem_table_last_foot_rule_tl +\tl_set:Nn \l__ghsystem_table_last_foot_rule_tl { \hline } +\tl_new:N \l__ghsystem_table_caption_tl +\tl_new:N \l__ghsystem_table_caption_short_tl +\tl_new:N \l__ghsystem_table_label_tl +\tl_set:Nn \l__ghsystem_table_label_tl { tab : ghs-hp-statements } + +\dim_new:N \l__ghsystem_table_line_sep_dim \dim_set:Nn \l__ghsystem_table_line_sep_dim { 3pt } -\fp_new:N \l__ghsystem_picture_scale_fp -\fp_set:Nn \l__ghsystem_picture_scale_fp { \l__ghsystem_picture_scale_tl } +\fp_new:N \l__ghsystem_picture_scale_fp +\fp_set:Nn \l__ghsystem_picture_scale_fp { \l__ghsystem_picture_scale_tl } \DeclareSIUnit { \GHSfahrenheit } { \SIUnitSymbolDegree F } \DeclareSIUnit { \GHScelsius } { \SIUnitSymbolDegree C } @@ -141,6 +141,7 @@ % language settings \bool_new:N \l__ghsystem_language_file_loaded_bool \bool_new:N \l__ghsystem_language_directory_bool + \file_if_exist:nTF { language / ghsystem_english_def } { \bool_set_true:N \l__ghsystem_language_directory_bool } { \bool_set_false:N \l__ghsystem_language_directory_bool } @@ -310,17 +311,17 @@ \cs_new:Nn \ghsystem_read_args:nn { - \ghsystem_get_type:nN { #1 } \l__ghsystem_tmpa_tl + \__ghsystem_get_type:nN { #1 } \l__ghsystem_tmpa_tl \prop_get:cnNTF { l__ghsystem_ \l__ghsystem_tmpa_tl _prop } { #2 } \l__ghsystem_tmpb_tl { - \ghsystem_is_combination:nn { #1 } { #2 } + \__ghsystem_is_combination:nn { #1 } { #2 } \bool_if:NF \l__ghsystem_hide_statement_bool { \tl_use:N \l__ghsystem_tmpb_tl } } { \chemmacros_msg:nnxx { ghsystem } { statements } { #1 } { #2 } } } -\cs_new:Nn \ghsystem_get_type:nN +\cs_new_protected:Nn \__ghsystem_get_type:nN { \tl_if_eq:nnT { #1 } { h } { \tl_set:Nn #2 { h } } \tl_if_eq:nnT { #1 } { H } { \tl_set:Nn #2 { h } } @@ -336,14 +337,14 @@ \tl_if_eq:nnT { #1 } { P } { \tl_set:Nn #2 { p } } } -\cs_new:Nn \ghsystem_is_combination:nn +\cs_new:Nn \__ghsystem_is_combination:nn { \tl_if_in:nnTF { #2 } { + } - { \ghsystem_is_combination_aux_i:w #1,#2 \q_stop } - { \ghsystem_is_combination_aux_ii:w #1,#2 \q_stop } + { \__ghsystem_is_combination_aux_i:w #1,#2 \q_stop } + { \__ghsystem_is_combination_aux_ii:w #1,#2 \q_stop } } -\cs_new:Npn \ghsystem_is_combination_aux_i:w #1,#2+#3 \q_stop +\cs_new:Npn \__ghsystem_is_combination_aux_i:w #1,#2+#3 \q_stop { \bool_if:NT \l__ghsystem_show_number_bool { @@ -351,7 +352,7 @@ \tl_use:N \l__ghsystem_number_space_tl #2 ~ + ~ \tl_if_in:nnTF { #3 } { + } - { \ghsystem_is_combination_aux_iii:w #1,#3 \q_stop } + { \__ghsystem_is_combination_aux_iii:w #1,#3 \q_stop } { \tl_to_uppercase:n { #1 } \tl_use:N \l__ghsystem_number_space_tl @@ -360,7 +361,7 @@ } } -\cs_new:Npn \ghsystem_is_combination_aux_ii:w #1,#2 \q_stop +\cs_new:Npn \__ghsystem_is_combination_aux_ii:w #1,#2 \q_stop { \bool_if:NT \l__ghsystem_show_number_bool { @@ -370,7 +371,7 @@ } } -\cs_new:Npn \ghsystem_is_combination_aux_iii:w #1,#2+#3 \q_stop +\cs_new:Npn \__ghsystem_is_combination_aux_iii:w #1,#2+#3 \q_stop { \bool_if:NT \l__ghsystem_show_number_bool { @@ -390,64 +391,70 @@ { \group_begin: \IfNoValueF { #1 } { \keys_set:nn { chemmacros / ghsystem } { #1 } } + \ghsystem_list_all: + \group_end: + } + +\cs_new_protected:Npn \ghsystem_list_all: + { + \int_zero:N \l__ghsystem_tmpa_int + \int_zero:N \l__ghsystem_tmpb_int + \prop_map_inline:Nn \l__ghsystem_p_prop { \int_incr:N \l__ghsystem_tmpa_int } + \dim_set_eq:NN \tabulinesep \l__ghsystem_table_line_sep_dim + \begin { longtabu } { X[3]X[7,L] } + \caption [ \l__ghsystem_table_caption_short_tl ] + { + \l__ghsystem_table_caption_tl + \exp_args:No \label { \l__ghsystem_table_label_tl } + } \\ + \l__ghsystem_table_top_head_rule_tl + \textbf { \l__ghsystem_identifier_tl } & + \textbf { \l__ghsystem_table_text_tl } \\ + \l__ghsystem_table_head_rule_tl + \endfirsthead + \l__ghsystem_table_top_head_rule_tl + \textbf { \l__ghsystem_identifier_tl } & + \textbf { \l__ghsystem_table_text_tl } \\ + \l__ghsystem_table_head_rule_tl + \endhead + \l__ghsystem_table_last_foot_rule_tl + \multicolumn{2}{r} { \textit { \l__ghsystem_table_next_page_tl } } + \endfoot + \l__ghsystem_table_foot_rule_tl \multicolumn{2}{r} { } + \endlastfoot + \prop_map_inline:Nn \l__ghsystem_h_prop + { \__ghsystem_read_number:nn { H } { ##1 } & ##2 \\ } + \prop_map_inline:Nn \l__ghsystem_euh_prop + { \__ghsystem_read_number:nn { EUH } { ##1 } & ##2 \\ } \int_zero:N \l__ghsystem_tmpa_int + \prop_map_inline:Nn \l__ghsystem_p_prop { \int_gincr:N \l__ghsystem_tmpa_int } \int_zero:N \l__ghsystem_tmpb_int - \prop_map_inline:Nn \l__ghsystem_p_prop { \int_incr:N \l__ghsystem_tmpa_int } - \dim_set_eq:NN \tabulinesep \l__ghsystem_table_line_sep_dim - \begin { longtabu } { X[3]X[7,L] } - \caption [ \l__ghsystem_table_caption_short_tl ] - { - \l__ghsystem_table_caption_tl - \exp_args:No \label { \l__ghsystem_table_label_tl } - } \\ - \l__ghsystem_table_top_head_rule_tl - \textbf { \l__ghsystem_identifier_tl } & - \textbf { \l__ghsystem_table_text_tl } \\ - \l__ghsystem_table_head_rule_tl - \endfirsthead - \l__ghsystem_table_top_head_rule_tl - \textbf { \l__ghsystem_identifier_tl } & - \textbf { \l__ghsystem_table_text_tl } \\ - \l__ghsystem_table_head_rule_tl - \endhead - \l__ghsystem_table_last_foot_rule_tl - \multicolumn{2}{r} { \textit { \l__ghsystem_table_next_page_tl } } - \endfoot - \l__ghsystem_table_foot_rule_tl \multicolumn{2}{r} { } - \endlastfoot - \prop_map_inline:Nn \l__ghsystem_h_prop - { \ghsystem_read_number:nn { H } { ##1 } & ##2 \\ } - \prop_map_inline:Nn \l__ghsystem_euh_prop - { \ghsystem_read_number:nn { EUH } { ##1 } & ##2 \\ } - \int_zero:N \l__ghsystem_tmpa_int - \prop_map_inline:Nn \l__ghsystem_p_prop { \int_gincr:N \l__ghsystem_tmpa_int } - \int_zero:N \l__ghsystem_tmpb_int - \prop_map_inline:Nn \l__ghsystem_p_prop - { - \int_gincr:N \l__ghsystem_tmpb_int - \ghsystem_read_number:nn { P } { ##1 } & ##2 - \int_compare:nNnT { \l__ghsystem_tmpb_int } < { \l__ghsystem_tmpa_int } { \\ } - } - \end { longtabu } - \group_end: + \prop_map_inline:Nn \l__ghsystem_p_prop + { + \int_gincr:N \l__ghsystem_tmpb_int + \__ghsystem_read_number:nn { P } { ##1 } & ##2 + \int_compare:nNnT { \l__ghsystem_tmpb_int } < { \l__ghsystem_tmpa_int } { \\ } + } + \end { longtabu } } -\cs_new:Nn \ghsystem_read_number:nn +\cs_new:Nn \__ghsystem_read_number:nn { \tl_if_in:nnTF { #2 } { + } - { \ghsystem_read_number_aux_i:w #1 , #2 \q_stop } + { \__ghsystem_read_number_aux_i:w #1 , #2 \q_stop } { #1 \tl_use:N \l__ghsystem_number_space_tl #2 } } -\cs_new:Npn \ghsystem_read_number_aux_i:w #1,#2+#3\q_stop +\cs_new:Npn \__ghsystem_read_number_aux_i:w #1,#2+#3\q_stop { #1 \tl_use:N \l__ghsystem_number_space_tl #2 ~+~ \tl_if_in:nnTF { #3 } { + } - { \ghsystem_read_number_aux_ii:w #1,#3 \q_stop } + { \__ghsystem_read_number_aux_ii:w #1,#3 \q_stop } { #1#3 } } -\cs_new:Npn \ghsystem_read_number_aux_ii:w #1,#2+#3\q_stop { #1#2 ~+~ #1#3 } +\cs_new:Npn \__ghsystem_read_number_aux_ii:w #1,#2+#3\q_stop + { #1#2 ~+~ #1#3 } % --------------------------------------------------------------------------- % % the picture command @@ -455,7 +462,7 @@ % % test for compilation engine/mode: \pdftex_if_engine:T { \bool_set_true:N \l__ghsystem_engine_pdftex_bool } -\xetex_if_engine:T { \bool_set_true:N \l__ghsystem_engine_xetex_bool } +\xetex_if_engine:T { \bool_set_true:N \l__ghsystem_engine_xetex_bool } \luatex_if_engine:T { \bool_set_true:N \l__ghsystem_engine_luatex_bool } \bool_new:N \l__ghsystem_picture_directory_bool @@ -476,34 +483,39 @@ % the command: \NewDocumentCommand \ghspic { om } { - \file_if_exist:nTF { pictures / ghsystem_ #2 . \l__ghsystem_picture_type_tl } - { \bool_set_true:N \l__ghsystem_picture_directory_bool } - { \bool_set_false:N \l__ghsystem_picture_directory_bool } \group_begin: \IfNoValueF { #1 } { \keys_set:nn { chemmacros / ghsystem } { #1 } } - \bool_if:NTF \l__ghsystem_picture_directory_bool - { - \ghsystem_includegraphics:xn - { - scale = \fp_to_tl:N \l__ghsystem_picture_scale_fp - \l__ghsystem_picture_includegraphics_tl - } - { pictures / ghsystem_ #2 . \l__ghsystem_picture_type_tl } - } - { - \ghsystem_includegraphics:xn - { - scale = \fp_to_tl:N \l__ghsystem_picture_scale_fp - \l__ghsystem_picture_includegraphics_tl - } - { ghsystem_ #2 . \l__ghsystem_picture_type_tl } - } + \ghsystem_pic:n { #2 } \group_end: } -\cs_new:Nn \ghsystem_includegraphics:nn +\cs_new_protected:Npn \ghsystem_pic:n #1 + { + \file_if_exist:nTF { pictures / ghsystem_ #1 . \l__ghsystem_picture_type_tl } + { \bool_set_true:N \l__ghsystem_picture_directory_bool } + { \bool_set_false:N \l__ghsystem_picture_directory_bool } + \bool_if:NTF \l__ghsystem_picture_directory_bool + { + \__ghsystem_includegraphics:xn + { + scale = \fp_to_tl:N \l__ghsystem_picture_scale_fp + \l__ghsystem_picture_includegraphics_tl + } + { pictures / ghsystem_ #1 . \l__ghsystem_picture_type_tl } + } + { + \__ghsystem_includegraphics:xn + { + scale = \fp_to_tl:N \l__ghsystem_picture_scale_fp + \l__ghsystem_picture_includegraphics_tl + } + { ghsystem_ #1 . \l__ghsystem_picture_type_tl } + } + } + +\cs_new:Nn \__ghsystem_includegraphics:nn { \includegraphics[#1]{#2} } -\cs_generate_variant:Nn \ghsystem_includegraphics:nn { xn } +\cs_generate_variant:Nn \__ghsystem_includegraphics:nn { xn } \tex_endinput:D %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% |