chemmacros (4nov13)

git-svn-id: svn://tug.org/texlive/trunk@32073 c570f23f-e606-0410-a88d-b1316a301751

2 files changed, 78 insertions, 30 deletions

diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
index 38408cde11b..5a284390463 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
@@ -27,8 +27,8 @@
 % --------------------------------------------------------------------------
 \RequirePackage{ expl3 , xparse , l3keys2e , tikz , amsmath , xfrac , nicefrac , scrlfile }
 \usetikzlibrary{arrows}
-\def\chemformula@version{4.2}
-\def\chemformula@date{2013/10/24}
+\def\chemformula@version{4.2a}
+\def\chemformula@date{2013/11/04}
 
 \ProvidesExplPackage
   {chemformula}
@@ -919,7 +919,7 @@
     \group_begin:
       \seq_set_split:Nnn \l__chemformula_input_seq { ~ } { #1 }
       \cs_set_eq:NN \xspace \scan_stop:
-      % the next two necessary any more but shouldn't do harm, too:
+      % the next two aren't necessary any more but shouldn't do harm, too:
       \cs_set_nopar:Npn \[ { [ }
       \cs_set_nopar:Npn \] { ] }
       \bool_set_true:N \l_chemformula_inside_ch_bool
@@ -932,9 +932,7 @@
       \seq_map_function:NN
         \l__chemformula_input_seq
         \chemformula_input:n
-      \tl_set_rescan:NnV \l__chemformula_input_tl
-        { \ExplSyntaxOn \makeatletter }
-        \l__chemformula_input_tl
+      \__chemformula_prepare_output:N \l__chemformula_input_tl
       \chemformula_write:V \l__chemformula_input_tl
     \group_end:
   }
@@ -1037,8 +1035,13 @@
   {
     \group_begin:
       \keys_set:nn { chemmacros / chemformula } { #1 }
-      
-      \chemformula_input_cmpd:nN { #2 } \l__chemformula_compound_tl
+      \__chemformula_sanitize:Nn
+        \l__chemformula_chemformula_tmpa_tl
+        { #2 }
+      \chemformula_input_cmpd:VN
+        \l__chemformula_chemformula_tmpa_tl
+        \l__chemformula_compound_tl
+      \__chemformula_prepare_output:N \l__chemformula_compound_tl
       \chemformula_write:V \l__chemformula_compound_tl
     \group_end:
   }
@@ -1081,20 +1084,23 @@
 
 \cs_new:Npn \chemformula_chwritebelow:nn #1#2
   {
-    \(
-    \underset
-      {
-        \bool_if:NF \l__chemformula_name_width_bool
-          {
-            \chemformula_dim_to_width:Nn \l__chemformula_name_dim
-              { \l__chemformula_name_format_tl #1 }
-          }
-        \parbox
-          { \dim_use:N \l__chemformula_name_dim }
-          { \l__chemformula_name_format_tl #1 }
-      }
-      { \text { \strut #2 } }
-    \)
+%     \group_begin:
+%       \__chemformula_reset:Nn \l__chemformula_tmpa_tl { #1 }
+      \(
+      \underset
+        {
+          \bool_if:NF \l__chemformula_name_width_bool
+            {
+              \chemformula_dim_to_width:Nn \l__chemformula_name_dim
+                { \l__chemformula_name_format_tl #1 }
+            }
+          \parbox
+            { \dim_use:N \l__chemformula_name_dim }
+            { \l__chemformula_name_format_tl #1 }
+        }
+        { \text { \strut #2 } }
+      \)
+%     \group_end:
   }
 
 \cs_new_protected:Npn \__chemformula_generate_name:Nn #1#2
@@ -1237,7 +1243,8 @@
 
 \cs_new_protected:Npn \__chemformula_bond_draw:n #1
   {
-    \tl_set_rescan:Nnn \l__chemformula_tmpa_tl {} { #1 }
+    \__chemformula_reset:Nn \l__chemformula_tmpa_tl { #1 }
+    % \tl_set_rescan:Nnn \l__chemformula_tmpa_tl {} { #1 }
     \prop_get:NV \l__chemformula_bonds_prop
       \l__chemformula_tmpa_tl
   }
@@ -1674,7 +1681,8 @@
 % set options for next compound:
 \cs_new_protected:Npn \chemformula_input_options:n #1
   {
-    \makeatother
+    % \makeatother
+    \char_set_catcode_other:N \@
     \tl_set_rescan:Nnn \l__chemformula_tmpa_tl
       { \char_set_catcode_letter:N \@ }
       { #1 }
@@ -1683,7 +1691,8 @@
         \bool_set_true:N \l__chemformula_options_bool
         \bool_set_true:N \l__chemformula_is_option_bool
         \tl_remove_all:Nn \l__chemformula_tmpa_tl { @ }
-        \exp_last_unbraced:Nno \tl_set:Nn \l__chemformula_internal_options_tl
+        \exp_last_unbraced:Nno
+        \tl_set:Nn \l__chemformula_internal_options_tl
           { \l__chemformula_tmpa_tl }
       }
       { \bool_set_false:N \l__chemformula_is_option_bool }
@@ -1913,6 +1922,17 @@
 
 \cs_new_protected:Npn \__chemformula_sanitize:Nn #1#2
   {
+    \cs_gset_protected:Npx \__chemformula_restore:
+      {
+        \char_set_catcode:nn {  95 } { \char_value_catcode:n {  95 } }% _
+        \char_set_catcode:nn {  58 } { \char_value_catcode:n {  58 } }% :
+        \char_set_catcode:nn {  94 } { \char_value_catcode:n {  94 } }% ^
+        \char_set_catcode:nn { 123 } { \char_value_catcode:n { 123 } }% {
+        \char_set_catcode:nn { 125 } { \char_value_catcode:n { 125 } }% }
+        \char_set_catcode:nn {  35 } { \char_value_catcode:n {  35 } }% #
+        \char_set_catcode:nn {  33 } { \char_value_catcode:n {  33 } }% !
+        \char_set_catcode:nn {  34 } { \char_value_catcode:n {  34 } }% "
+      }
     \tl_set_rescan:Nnn #1
       {
         % expl3 catcodes:
@@ -1936,6 +1956,21 @@
   }
 \cs_generate_variant:Nn \__chemformula_sanitize:Nn { NV }
 
+\cs_new_protected:Npn \__chemformula_prepare_output:N #1
+  {
+    \tl_set_rescan:NnV #1
+      {
+        \__chemformula_restore:
+        \ExplSyntaxOn
+        \makeatletter
+      }
+      #1
+  }
+
+\cs_new_protected:Npn \__chemformula_reset:Nn #1#2
+  { \tl_set_rescan:Nnn #1 { \__chemformula_restore: } { #2 } }
+\cs_generate_variant:Nn \__chemformula_reset:Nn { NV }
+
 \cs_new_protected:Npn \__chemformula_handle_sub_and_superscripts:nN #1#2
   {
     \__chemformula_sanitize:Nn \l__chemformula_tmpa_tl { #1 }
@@ -2149,6 +2184,7 @@
       { _ } { \sb }
     \tl_replace_all:Nnn \l__chemformula_tmpa_tl
       { chemformulaplaceholder } { \_ }
+    % \__chemformula_reset:NV \l__chemformula_tmpa_tl \l__chemformula_tmpa_tl
     \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl
   }
 
@@ -2207,6 +2243,7 @@
       { _ } { \sb }
     \tl_replace_all:Nnn \l__chemformula_tmpa_tl
       { chemformulaplaceholder } { \_ }
+    % \__chemformula_reset:NV \l__chemformula_tmpa_tl \l__chemformula_tmpa_tl
     \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl
     \tl_put_right:Nn \l__chemformula_input_tl
       { \chemformula_skip_nobreak:N \l__chemformula_math_space_skip }
@@ -2691,10 +2728,14 @@ VERSION HISTORY
                           - fixed wrong setting of the TikZ bond style
                           - new option `arrow-style'
                           - new command \chlewis
+2013/11/04 - version 4.2a - bug fix in \chcpd,
+                          - change sanitizing/restoring of category codes
 
 
 % --------------------------------------------------------------------------
 % TODO
 - https://bitbucket.org/cgnieder/chemmacros/issue/23/
 - Addukte: Zahlen nach * und . automatisch erkennen?
-- optionale Argumente von \\ nach außen 
+- optionale Argumente von \\ nach außen
+- make escaped text/math /truely/ escaped, i.e., behave as if it's been input
+  /outside/ of \ch
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index 2c0e7272907..a392fbe6d81 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -26,8 +26,8 @@
 % - The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
 \RequirePackage{ expl3 , xparse , l3keys2e }
-\def\chemmacros@version{4.2a}
-\def\chemmacros@date{2013/10/31}
+\def\chemmacros@version{4.2b}
+\def\chemmacros@date{2013/11/04}
 
 \ProvidesExplPackage
   {chemmacros}
@@ -1089,9 +1089,15 @@
 \DeclareChemIUPAC \E { \cip { E } }
 \DeclareChemIUPAC \Z { \cip { Z } }
 
-% cis/trans & tert
-\DeclareChemIUPAC \cis   { \textit{ cis } }
+% cis/trans
+\DeclareChemIUPAC \cis   { \textit { cis } }
 \DeclareChemIUPAC \trans { \textit { trans } }
+
+% fac/mer
+\DeclareChemIUPAC \fac { \textit { fac } }
+\DeclareChemIUPAC \mer { \textit { mer } }
+
+% tert
 \DeclareChemIUPAC \tert  { \textit { tert } }
 
 % Fischer
@@ -4048,6 +4054,7 @@ Version history
                             \RenewChemState and improved both internal
                             definition and user interface
 2013/10/31 - version 4.2a - bug bix in \hapto and \bridge
+2013/11/04 - version 4.2b - new IUPAC commands: \fac/\mer
 
 % --------------------------------------------------------------------------- %
 % TODO: