chemmacros (21mar12)

git-svn-id: svn://tug.org/texlive/trunk@25721 c570f23f-e606-0410-a88d-b1316a301751

3 files changed, 143 insertions, 42 deletions

diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
index 11b5e014f7f..a509e2772a1 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
@@ -5,7 +5,7 @@
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2012/03/14                                                              - %
+% - 2012/03/20                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -30,8 +30,8 @@
 \RequirePackage{ expl3 }
 \ProvidesExplPackage
   {chemformula}
-  {2012/03/14}
-  {3.1c}
+  {2012/03/20}
+  {3.2}
   {typeset chemical compounds and reactions}
 
 %-----------------------------------------------------------------------------%
@@ -81,7 +81,7 @@
 % pass options to the `chemmacros' package
 \DeclareOption*
   { \PassOptionsToPackage { \CurrentOption } { chemmacros } }
-\ProcessOptions\relax
+\ProcessOptions \scan_stop:
 
 \RequirePackage { chemmacros , nicefrac }
 
@@ -228,6 +228,13 @@
   \pgfusepathqfillstroke
 }
 
+% a possibility to overwrite the arrow tips:
+\providecommand*\pgfarrowsrenewalias[4]{%
+  \let\savedef\pgf@arrows@check@already
+  \def\pgf@arrows@check@already##1##2##3{##3}%
+  \pgfarrowsdeclarealias{#1}{#2}{#3}{#4}%
+  \let\pgf@arrows@check@already\savedef}
+
 %-----------------------------------------------------------------------------%
 % dimension variables
 \dim_new:N \l_chemformula_arrow_length_dim
@@ -494,12 +501,12 @@
             { \g_chemformula_options_tl }
         }
       \tl_map_function:nN { #1 } \chemformula_input:n
-      \chemformula_generate_arrows:N \l_chemformula_input_tl
-      \chemformula_generate_name:N \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 }
         { \l_chemformula_output_tl }
-      \chemformula_write:n { \l_chemformula_output_tl }
+      \chemformula_write:V \l_chemformula_output_tl
     \group_end:
   }
 
@@ -541,7 +548,7 @@
 \NewDocumentCommand \ch { om }
   { \chemformula_ch:nn { #1 } { #2 } }
 
-\cs_new:Npn \chemformula_write:n #1
+\cs_new:Nn \chemformula_write:V
   {
     \mode_if_math:TF
       {
@@ -556,7 +563,7 @@
 
 %-----------------------------------------------------------------------------%
 % arrow generation & detection
-\cs_set:Npn \chemformula_generate_arrows:n #1
+\cs_set:Nn \chemformula_generate_arrows:V
   {
     \tl_set:No \l_tmpa_tl { #1 }
     \seq_map_inline:Nn \l_chemformula_arrows_type_seq
@@ -566,7 +573,6 @@
       }
     \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
   }
-\cs_generate_variant:Nn \chemformula_generate_arrows:n { N }
 
 \cs_new:Npn \chemformula_detect_arrows:n #1
   {
@@ -612,14 +618,13 @@
   }
 \cs_generate_variant:Nn \width_to_dim:nn { Nn }
 
-\cs_new:Npn \chemformula_generate_name:n #1
+\cs_new:Nn \chemformula_generate_name:V
   {
     \tl_set:No \l_tmpa_tl { #1 }
     \tl_if_in:onT { \l_tmpa_tl } { ! }
       { \tl_replace_all:Nnn \l_tmpa_tl { ! } { \chemformula_name_cmpd:w } }
     \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
   }
-\cs_generate_variant:Nn \chemformula_generate_name:n { N }
 
 \cs_new:Npn \chemformula_detect_name:n #1
   {
@@ -633,6 +638,8 @@
 % parsing input
 % booleans:
 \bool_new:N \l_chemformula_inside_ch_bool
+\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_is_plus_bool
 \bool_new:N \l_chemformula_is_up_bool
@@ -1128,8 +1135,8 @@
     \chemformula_input_escape_math:n { #1 }
     \chemformula_input_stoich:n { #1 }
     \chemformula_clean_chem_macros:o { \l_chemformula_tmpa_tl }
-    \chemformula_input_cmpd:oN
-      { \l_chemformula_tmpa_tl } \l_chemformula_input_tl
+    \chemformula_input_cmpd:VN
+      \l_chemformula_tmpa_tl \l_chemformula_input_tl
     \chemformula_input_arrow:n { #1 }
     \chemformula_input_name:n { #1 }
     \chemformula_input_plus:n { #1 }
@@ -1138,6 +1145,25 @@
   }
 
 %-----------------------------------------------------------------------------%
+% set options for next compound:
+% TODO: this is not working:
+% - applies to first instead of the next cmpd
+\cs_new:Npn \chemformula_input_options:n #1
+  {
+    \makeatother
+    \tl_set_rescan:Nnn \l_tmpa_tl { \makeatletter } { #1 }
+    \tl_if_in:VnTF \l_tmpa_tl { @ }
+      {
+        \bool_set_true:N \l_chemformula_options_bool
+        \bool_set_true:N \l_chemformula_is_option_bool
+        \tl_remove_all:Nn \l_tmpa_tl { @ }
+        \exp_last_unbraced:Nno \tl_set:Nn \l_chemformula_internal_options_tl
+          { \l_tmpa_tl }
+      }
+      { \bool_set_false:N \l_chemformula_is_option_bool }
+  }
+
+%-----------------------------------------------------------------------------%
 % input stoichiometric factors
 \cs_new:Npn \chemformula_input_stoich:n #1
   {
@@ -1236,8 +1262,19 @@
           { \bool_set_true:N \l_chemformula_is_up_bool }
         \chemformula_detect_arrows:n { #1 }
         \chemformula_detect_name:n { #1 }
+        \chemformula_input_options:n { #1 }
+        \bool_if:NT \l_chemformula_is_option_bool
+          {
+            \tl_put_right:Nn #2
+              {
+                \group_begin:
+                  \keys_set:nV { chemmacros / chemformula }
+                    \l_chemformula_internal_options_tl
+              }
+          }
         \bool_if:nT
           {
+            !\l_chemformula_is_option_bool &&
             !\l_chemformula_is_plus_bool &&
             !\l_chemformula_is_down_bool &&
             !\l_chemformula_is_up_bool &&
@@ -1250,6 +1287,15 @@
             \tl_put_right:Nn #2
               { \chemformula_font_inner: }
             \chemformula_handle_sub_and_superscripts:nN { #1 } #2
+            \bool_if:NT \l_chemformula_options_bool
+              {
+                \tl_put_right:Nn #2
+                  {
+                    \group_end:
+                    \tl_clear:N \l_chemformula_internal_options_tl
+                  }
+                \bool_set_false:N \l_chemformula_options_bool
+              }
           }
       }
       {
@@ -1258,7 +1304,7 @@
         \tl_clear:N \l_chemformula_stoich_tl
       }
   }
-\cs_generate_variant:Nn \chemformula_input_cmpd:nN { oN , fN , xN }
+\cs_generate_variant:Nn \chemformula_input_cmpd:nN { VN }
 
 \cs_new:Nn \chemformula_font_inner:
   {
@@ -1694,6 +1740,8 @@ VERSION HISTORY
                           - new option charge-vshift
 2012/03/14 - version 3.1c - a few changes in chemmacros.sty
                           - improved arrow labels
+2012/03/20 - version 3.2  - new: option input via @{<options>}
+                          - a few changes in chemmacros.sty
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TODO
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index 77dab7f9d0c..b06c416bc68 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -5,7 +5,7 @@
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2012/03/14                                                              - %
+% - 2012/03/20                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -33,8 +33,8 @@
 
 \ProvidesExplPackage
   {chemmacros}
-  {2012/03/14}
-  {3.1c}
+  {2012/03/20}
+  {3.2}
   {macros and commands for chemists}
 
 \@ifpackageloaded { chemformula } {} { \RequirePackage { chemformula } }
@@ -305,6 +305,23 @@
     exist.
   }
 
+\msg_set:nnnn { chemmacros } { declare-latin }
+  {
+    The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
+  }
+  {
+    You've~tried~to~define~a~latin~phrase~with~\token_to_str:N
+    \DeclareChemLatin,~but~the~command~sequence~ \token_to_str:N #1 \c_space_tl
+    already~exists.~Choose~another~name.
+  }
+
+\msg_set:nnnn { chemmacros } { f }
+  { The~latin~phrase \token_to_str:N #1 \c_space_tl is~not~defined. }
+  {
+    You've~tried~to~renew~the~latin~phrase~\token_to_str:N #1 ,~but~it~doesn't~
+    exist.
+  }
+
 \msg_set:nnnn { chemmacros } { declare-phase }
   {
     The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
@@ -600,7 +617,7 @@
               \tl_set_rescan:Nno \l_tmpa_tl
                 { \ExplSyntaxOn }
                 { \l_chemformula_input_tl }
-              \chemformula_write:n { \l_tmpa_tl }
+              \chemformula_write:V \l_tmpa_tl
             \group_end:
             \chemmacros_xspace:
           }
@@ -996,17 +1013,49 @@
 \cs_set_eq:NN \iupac \chemmacros_iupac:n
 
 % latin phrases
+\tl_new:N \l_chemmacros_latin_format_tl
+\tl_set:Nn \l_chemmacros_latin_format_tl { \itshape }
+
+\keys_define:nn { chemmacros / latin }
+  { format . tl_set:N = \l_chemmacros_latin_format_tl }
+
+\cs_new:Npn \chemmacros_latin:n #1
+  { { \l_chemmacros_latin_format_tl #1 } }
+
+\prop_new:N \l_chemmacros_latin_prop
+\NewDocumentCommand \DeclareChemLatin { mm }
+  {
+    \cs_if_free:NTF #1
+      {
+        \cs_new:Npn #1 { \chemmacros_latin:n { #2 } \chemmacros_xspace: }
+        \prop_put:Nnn \l_chemmacros_latin_prop { #1 } { #2 }
+      }
+      { \chemmacros_msg:nnxx { chemmacros } { declare-latin } { #1 } { }  }
+  }
+
+\NewDocumentCommand \RenewChemLatin { mm }
+  {
+    \prop_if_in:NnTF \l_chemmacros_latin_prop { #1 }
+      { \cs_set:Npn #1 { \chemmacros_latin:n { #2 } \chemmacros_xspace: } }
+      { \chemmacros_msg:nnxx { chemmacros } { renew-latin } { #1 } { }  }
+  }
+
 \AtBeginDocument
   {
     \bool_if:NTF \l_chemmacros_chemstyle_bool
       {
-        \cs_new_nopar:Npn \insitu { \latin{in~situ} \chemmacros_xspace: }
-        \cs_new_nopar:Npn \abinitio { \latin{ab~initio} \chemmacros_xspace: }
+        \AfterPackage* { chemstyle }
+          {
+            \cs_undefine:N \invacuo
+            \cs_set_eq:NN \chemmacros_latin:n \cst@latin
+          }
       }
       {
-        \cs_new_nopar:Npn \insitu { \textit{in~situ} \chemmacros_xspace: }
-        \cs_new_nopar:Npn \abinitio { \textit{ab~initio} \chemmacros_xspace: }
+        \cs_new_eq:NN  \latin \chemmacros_latin:n
       }
+    \DeclareChemLatin \insitu { in~situ }
+    \DeclareChemLatin \abinitio { ab~initio }
+    \DeclareChemLatin \invacuo { in~vacuo }
   }
 
 % --------------------------------------------------------------------------- %
@@ -1447,7 +1496,7 @@
     \tl_set:Nn \l_chemmacros_redox_end_tl { #2 }
   }
 
-\NewDocumentCommand \redox { > { \SplitArgument { 1 } { , } } d() o o m }
+\NewDocumentCommand \redox { > { \SplitArgument { 1 } { , } } r() o o G{} }
   {
     \IfNoValueT { #1 }
       {
@@ -1820,7 +1869,7 @@
 \char_set_catcode_letter:N \@
 
 % --------------------------------------------------------------------------- %
-% reaction environments for mhchem
+% reaction environments
 
 % redefine mathtools' command \MT_define_tagform:nwnn to ensure we add an
 % entry to the list of reactions even if the user redefines the reaction tag
@@ -1838,13 +1887,21 @@
                 \addcontentsline { lor } { reaction }
                   {
                     \l_chemmacros_reaction_lorname_tl #3 #2 ##1 #4
-                    \tl_use:c { l_chemmacros_reaction_ \thereaction _tl }
+                    \tl_use:N \g_chemmacros_reaction_description_tl
                   }
+                \tl_gclear:N \g_chemmacros_reaction_description_tl
               }
           }
       }
   }
 
+\tl_new:N \g_chemmacros_reaction_description_tl
+\NewDocumentCommand \AddRxnDesc { m }
+  {
+    \tl_if_blank:nF { #1 }
+      { \tl_gset:Nn \g_chemmacros_reaction_description_tl { : ~ #1 } }
+  }
+
 % define \listofreactions
 \tl_new:N \l_chemmacros_reaction_lorname_tl
 \tl_new:N \reactionlistname
@@ -1886,7 +1943,7 @@
       { \usetagform { CMreaction } }
       { \usetagform { reaction } }
     % => this is problematic because it disallows resetting the counter:
-    \tl_new:c { l_chemmacros_reaction_ \thereaction _tl }
+%     \tl_new:c { l_chemmacros_reaction_ \thereaction _tl }
   }
 
 % switch back to equation tags
@@ -1930,12 +1987,7 @@
               \NewEnviron { #2 } [ 2 ] []
                 {
                   \chemmacros_begin_reaction:
-                  \tl_if_blank:nF { ##1 }
-                    {
-                      \tl_set:cn
-                        { l_chemmacros_reaction_ \thereaction _tl }
-                        { : ~ ##1 }
-                    }
+                  \AddRxnDesc { ##1 }
                   \begin { #3 } { ##2 }
                     \chemmacros_equation_chemformula:o { \BODY }
                   \end{ #3 }
@@ -1955,12 +2007,7 @@
               \NewEnviron { #2 } [ 1 ] []
                 {
                   \chemmacros_begin_reaction:
-                  \tl_if_blank:nF { ##1 }
-                    {
-                      \tl_set:cn
-                        { l_chemmacros_reaction_ \thereaction _tl }
-                        { : ~ ##1 }
-                    }
+                  \AddRxnDesc { ##1 }
                   \begin { #3 }
                     \chemmacros_equation_chemformula:o { \BODY }
                   \end { #3 }
@@ -3265,6 +3312,11 @@ Version history
 2012/03/14 - version 3.1c - compatibility with KOMA's global option
                             "version = <value>"
                           - bugfix in the list of reactions
+2012/03/20 - version 3.2  - new feature in chemformula
+                          - improved list of reactions: resetting the "reaction"
+                            counter now doesn't cause errors any more
+                          - \AddRxnDesc added which allows to add descriptions
+                            to each reaction in the "reactions" environment
 
 % --------------------------------------------------------------------------- %
 % TODO:
diff --git a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
index 72e2ab854e7..4c91a0b8796 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
@@ -5,7 +5,7 @@
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2012/03/14                                                              - %
+% - 2012/03/20                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -30,8 +30,8 @@
 \RequirePackage{ expl3 }
 \ProvidesExplPackage
   {ghsystem}
-  {2012/03/14}
-  {3.1c}
+  {2012/03/20}
+  {3.2}
   {globally harmonised system}
 
 % --------------------------------------------------------------------------- %
@@ -455,6 +455,7 @@ VERSION HISTORY
 2012/02/26 - version 3.1a - changes in the chemmacros package
 2012/03/03 - version 3.1b - changes in packages chemformula and chemmacros
 2012/03/14 - version 3.1c - changes in packages chemformula and chemmacros
+2012/03/20 - version 3.2  - changes in packages chemformula and chemmacros
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TODO: