nearly v6.0

README

@@ -1,5 +1,5 @@
 --------------------------------------------------------------------------
-the CHEMMACROS package v6.0 2022/??/??
+the CHEMMACROS package v6.0 2022/01/16
 
   comprehensive support for typesetting chemistry documents
 

code/chemmacros.base.code.tex

@@ -11,10 +11,7 @@
 \cs_new_protected:Npn \chemmacros_define_deprecated:NN #1#2
   {
     \cs_set_protected:Npn #1
-      {
-        \msg_warning:nnnn {chemmacros} {command-deprecated} {#1} {#2}
-        #2
-      }
+      { \msg_warning:nnnn {chemmacros} {command-deprecated} {#1} {#2} #2 }
   }
 
 \NewDocumentCommand \DeclareChemDeprecated {mm}

code/chemmacros.reactants.code.tex

@@ -165,6 +165,7 @@
       \bool_set_false:N \l__chemmacros_reactants_acronym_support_bool
       \str_clear:N \l__chemmacros_reactants_acronym_support_str ,
     acronym-support .initial:n  = none ,
+    %%
     printreactants-style .choice: , 
     printreactants-style / xltabular .code:n =
       \bool_set_true:N \l__chemmacros_reactants_printreactants_style_bool

code/chemmacros.start.code.tex

@@ -123,22 +123,24 @@
 \clist_set:Nn \l_chemmacros_modules_clist
   {
     base, errorcheck, lang, greek, chemformula, charges, acid-base, symbols,
-    particles, phases, nomenclature, tikz, xfrac
+    particles, phases, nomenclature, tikz, xfrac, translations
   }
 
 \clist_const:Nn \c_chemmacros_all_modules_clist
   {
     base, errorcheck, lang, greek, chemformula, charges, acid-base, symbols,
     particles, phases, nomenclature, tikz, isotopes, mechanisms, newman,
     orbital, polymers, reactions, redox, xfrac, scheme, spectroscopy,
-    thermodynamics, units, reactants
+    thermodynamics, units, reactants, translations
   }
 
 \keys_define:nn {chemmacros/package-options}
   {
     minimal .bool_set:N = \l__chemmacros_minimal_bool ,
     minimal .initial:n  = false ,
-    modules .code:n     = \clist_put_right:Nn \l_chemmacros_modules_clist {#1} ,
+    modules .code:n     =
+      \clist_if_in:NF \l_chemmacros_modules_clist
+        { \clist_put_right:Nn \l_chemmacros_modules_clist {#1} } ,
     unknown .code:n     = \__chemmacros_loadtime_warning:n {unknown-option}
   }
 

code/chemmacros.sty

@@ -123,22 +123,24 @@
 \clist_set:Nn \l_chemmacros_modules_clist
   {
     base, errorcheck, lang, greek, chemformula, charges, acid-base, symbols,
-    particles, phases, nomenclature, tikz, xfrac
+    particles, phases, nomenclature, tikz, xfrac, translations
   }
 
 \clist_const:Nn \c_chemmacros_all_modules_clist
   {
     base, errorcheck, lang, greek, chemformula, charges, acid-base, symbols,
     particles, phases, nomenclature, tikz, isotopes, mechanisms, newman,
     orbital, polymers, reactions, redox, xfrac, scheme, spectroscopy,
-    thermodynamics, units, reactants
+    thermodynamics, units, reactants, translations
   }
 
 \keys_define:nn {chemmacros/package-options}
   {
     minimal .bool_set:N = \l__chemmacros_minimal_bool ,
     minimal .initial:n  = false ,
-    modules .code:n     = \clist_put_right:Nn \l_chemmacros_modules_clist {#1} ,
+    modules .code:n     =
+      \clist_if_in:NF \l_chemmacros_modules_clist
+        { \clist_put_right:Nn \l_chemmacros_modules_clist {#1} } ,
     unknown .code:n     = \__chemmacros_loadtime_warning:n {unknown-option}
   }
 
@@ -400,10 +402,7 @@
 \cs_new_protected:Npn \chemmacros_define_deprecated:NN #1#2
   {
     \cs_set_protected:Npn #1
-      {
-        \msg_warning:nnnn {chemmacros} {command-deprecated} {#1} {#2}
-        #2
-      }
+      { \msg_warning:nnnn {chemmacros} {command-deprecated} {#1} {#2} #2 }
   }
 
 \NewDocumentCommand \DeclareChemDeprecated {mm}

doc/chemmacros-logo.tex

@@ -0,0 +1,50 @@
+% arara: xelatex
+% arara: xelatex
+\documentclass[margin=1cm]{standalone}
+\usepackage{fontspec}
+\usepackage{chemmacros}
+\usetikzlibrary{calc,positioning,decorations.pathmorphing,patterns}
+
+% credits:
+% https://tex.stackexchange.com/a/49961/
+\pgfdeclaredecoration{pencilline}{initial}{
+  \state{initial}[
+    width=+\pgfdecoratedinputsegmentremainingdistance,
+    auto corner on length=1mm
+  ]{
+    \pgfpathcurveto%
+      {% From
+        \pgfqpoint
+          {\pgfdecoratedinputsegmentremainingdistance}
+          {\pgfdecorationsegmentamplitude}
+      }
+      {%  Control 1
+        \pgfmathrand
+        \pgfpointadd
+          {\pgfqpoint{\pgfdecoratedinputsegmentremainingdistance}{0pt}}
+          {%
+            \pgfqpoint
+              {-\pgfdecorationsegmentaspect\pgfdecoratedinputsegmentremainingdistance}%
+              {\pgfmathresult\pgfdecorationsegmentamplitude}
+          }
+      }
+      {%TO 
+        \pgfpointadd
+          {\pgfpointdecoratedinputsegmentlast}
+          {\pgfpoint{1pt}{1pt}}
+      }
+  }
+  \state{final}{}
+}
+\tikzset{pencil/.style={decorate,decoration=pencilline}}
+\begin{document}
+   \ch[font-spec={Augie}]{
+     2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2
+     ->
+     2 "\OX{o2,\ox{+1,Na}}" {}+ + 2 "\OX{r2,\ox{-1,Cl}}" {}-
+   }
+   \redox(o1,o2)[red,pencil,-cf]{%
+     \small\ch[font-spec={[Color=red]Augie},math-space=.3em]{$-$ 2 e-}}
+   \redox(r1,r2)[blue,pencil,-cf][-1]{%
+     \small\ch[font-spec={[Color=blue]Augie},math-space=.3em]{$+$ 2 e-}}
+\end{document}

doc/chemmacros-manual.cls

@@ -26,7 +26,7 @@
 %
 % The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
-\ProvidesClass{chemmacros-manual}[2022/01/13]
+\ProvidesClass{chemmacros-manual}[2022/01/16]
 
 \LoadClass[load-preamble,add-index]{cnltx-doc}
 \RequirePackage{imakeidx}
@@ -158,7 +158,6 @@
   }%
 }
 
-\RequirePackage{chemformula}
 \DeclareInstance{xfrac}{chemformula-text-frac}{text}{
   scale-factor        = 1 ,
   denominator-bot-sep = -.2ex ,
@@ -425,6 +424,72 @@
   }
 \ExplSyntaxOff
 
+\DeclareAcronym{ghs}{
+  short     = ghs ,
+  long      = Globally Harmonized System of Classification and Labelling of
+    Chemicals ,
+  pdfstring = GHS ,
+  short-acc = GHS
+}
+\DeclareAcronym{eu}{
+  short     = eu ,
+  long      = European Union ,
+  pdfstring = EU ,
+  short-acc = EU
+}
+\DeclareAcronym{iupac}{
+  short     = iupac ,
+  long      = International Union of Pure and Applied Chemistry ,
+  pdfstring = IUPAC ,
+  short-acc = IUPAC
+}
+\DeclareAcronym{UN}{
+  short     = un ,
+  long      = United Nations ,
+  pdfstring = UN ,
+  short-acc = UN
+}
+\DeclareAcronym{dvi}{
+  short     = dvi ,
+  long      = device independent file format ,
+  pdfstring = DVI ,
+  short-acc = DVI
+}
+\DeclareAcronym{pdf}{
+  short     = pdf ,
+  long      = portable document file ,
+  pdfstring = PDF ,
+  short-acc = PDF
+}
+\DeclareAcronym{id}{
+  short     = id ,
+  long      = identification string ,
+  pdfstring = ID ,
+  short-acc = ID
+}
+
+\chemsetup{
+  greek = newtx ,
+  formula = chemformula ,
+  chemformula/format = \libertineLF ,
+  reactants/acronym-support = acro ,
+  reactants/printreactants-style = longtable
+}
+
+\sisetup{
+  detect-mode=false,
+  mode=text,
+  text-font-command=\libertineLF
+}
+
+\DeclareChemReactant{nBuLi}{name={\iupac{\textit{n}=butyllithium}}}
+\DeclareChemReactant{Br2benzene}{name={\iupac{1,4=di|bromo|benzene}}}
+\DeclareChemReactant{HBr}{name={\ch{HBr\aq}}}
+\DeclareChemReactant{dcm}{name={dichloromethane}, short={DCM}}
+\DeclareChemReactant{thf}{name={tetrahydrofuran}}
+\DeclareChemReactant{H2SO4}{name={\ch{H2SO4}}}
+\DeclareChemReactant{dichloropentane}{name={\iupac{2,4-di|chloro|pentane}}}
+
 \chemmacros@add@version{2012-01-28}{3.0}
 \chemmacros@add@version{2012-01-30}{3.0a}
 \chemmacros@add@version{2012-02-03}{3.0b}