chemmacros 3.1b (4mar12)

git-svn-id: svn://tug.org/texlive/trunk@25561 c570f23f-e606-0410-a88d-b1316a301751

3 files changed, 404 insertions, 270 deletions

diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
index 1c7c0f75735..a5555476e0d 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                                                    - %
-% - 2012/02/19                                                              - %
+% - 2012/03/03                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -30,8 +30,8 @@
 \RequirePackage{ expl3 }
 \ProvidesExplPackage
   {chemformula}
-  {2012/02/19}
-  {3.1}
+  {2012/03/03}
+  {3.1b}
   {typeset chemical compounds and reactions}
 
 %-----------------------------------------------------------------------------%
@@ -288,6 +288,7 @@
 \tl_set:Nn \l_chemformula_arrow_label_style_tl { \footnotesize }
 
 \prop_new:N \l_chemformula_arrows_code_prop
+\seq_new:N \l_chemformula_arrows_type_seq
 \tl_new:N \l_chemformula_arrow_type_tl
 \tl_new:N \l_chemformula_arrow_arg_i_tl
 \tl_new:N \l_chemformula_arrow_arg_ii_tl
@@ -393,7 +394,11 @@
   {
     \prop_if_in:NnTF \l_chemformula_arrows_code_prop { #1 }
       { \chemmacros_msg:nnxx { chemformula } { declare-arrow } { #1 } {} }
-      { \prop_put:Nnn \l_chemformula_arrows_code_prop { #1 } { #2 } }
+      {
+        % store type in the sequence and code in the property list
+        \seq_put_right:Nn \l_chemformula_arrows_type_seq { #1 }
+        \prop_put:Nnn \l_chemformula_arrows_code_prop { #1 } { #2 }
+      }
   }
 
 \NewDocumentCommand \RenewChemArrow { mm }
@@ -409,7 +414,9 @@
     \tl_to_str:N \l_tmpa_tl
   }
 
-% declare arrows:
+% declare arrows in the right order
+% e.g. <-> must be declared before -> in order to search & replace it first
+% resonance arrow:
 \DeclareChemArrow { <-> } { \draw[cf-cf] (cf_arrow_start) -- (cf_arrow_end) ; }
 \DeclareChemArrow { -> } { \draw[-cf] (cf_arrow_start) -- (cf_arrow_end) ; }
 \DeclareChemArrow { <- } { \draw[cf-] (cf_arrow_start) -- (cf_arrow_end) ; }
@@ -418,6 +425,7 @@
     \draw[-cf] ([yshift=.2ex]cf_arrow_start) -- ([yshift=.2ex]cf_arrow_end) ;
     \draw[cf-,] ([yshift=-.2ex]cf_arrow_start) -- ([yshift=-.2ex]cf_arrow_end) ;
   }
+% isolobal arrow:
 \DeclareChemArrow { <o> }
   {
     \draw[cf-cf] (cf_arrow_start) -- (cf_arrow_end) ;
@@ -458,6 +466,8 @@
     \draw (cf_arrow_mid) ++ (.2ex,.4ex) -- ++(-.4ex,-.8ex) ;
     \draw (cf_arrow_mid) ++ (.6ex,.4ex) -- ++(-.4ex,-.8ex) ;
   }
+% net reaction:
+\DeclareChemArrow { == } { \node at ([yshift=-.2ex]cf_arrow_mid) { = } ; }
 
 %-----------------------------------------------------------------------------%
 % arrow customization
@@ -550,37 +560,15 @@
 
 %-----------------------------------------------------------------------------%
 % arrow generation & detection
-% make sure to look for <->, <=>> and <<=> first!
 \cs_set:Npn \chemformula_generate_arrows:n #1
   {
     \tl_set:No \l_tmpa_tl { #1 }
-    \tl_replace_all:Nnn \l_tmpa_tl { <-> }
-      { \chemformula_arrows_get:n { <-> } }
-    \tl_replace_all:Nnn \l_tmpa_tl { <=>> }
-      { \chemformula_arrows_get:n { <=>> } }
-    \tl_replace_all:Nnn \l_tmpa_tl { <<=> }
-      { \chemformula_arrows_get:n { <<=> } }
-    \prop_map_function:NN \l_chemformula_arrows_code_prop
-      \chemformula_replace_arrows:nn
-    \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
-  }
-
-\bool_new:N \l_chemformula_arrow_already_replaced_bool
-\cs_new:Npn \chemformula_replace_arrows:nn #1#2
-  { 
-    \tl_if_eq:nnT { #1 } { <-> }
-      { \bool_set_true:N \l_chemformula_arrow_already_replaced_bool }
-    \tl_if_eq:nnT { #1 } { <=>> }
-      { \bool_set_true:N \l_chemformula_arrow_already_replaced_bool }
-    \tl_if_eq:nnT { #1 } { <<=> }
-      { \bool_set_true:N \l_chemformula_arrow_already_replaced_bool }
-    \bool_if:NF \l_chemformula_arrow_already_replaced_bool
+    \seq_map_inline:Nn \l_chemformula_arrows_type_seq
       {
-        \tl_set_rescan:Nnn \l_tmpb_tl {} { #1 }
-        \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl
-          { \l_tmpb_tl } { \chemformula_arrows_get:n { #1 } }
+        \tl_replace_all:Nnn \l_tmpa_tl
+          { ##1 } { \chemformula_arrows_get:n { ##1 } }
       }
-    \bool_set_false:N \l_chemformula_arrow_already_replaced_bool
+    \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
   }
 \cs_generate_variant:Nn \chemformula_generate_arrows:n { N }
 
@@ -663,7 +651,7 @@
 \bool_new:N \l_chemformula_charge_style_math_bool
 \bool_new:N \l_chemformula_sub_bool
 \bool_new:N \l_chemformula_sup_bool
-\bool_new:N \l_chemformula_first_is_sup_bool
+\bool_new:N \l_chemformula_is_isotope_bool
 \bool_new:N \l_chemformula_xfrac_bool
 \bool_new:N \l_chemformula_nicefrac_bool
 \bool_new:N \l_chemformula_mathfrac_bool
@@ -674,7 +662,7 @@
 \bool_new:N \l_chemformula_fss_series_bool
 \bool_new:N \l_chemformula_fss_shape_bool
 \bool_new:N \l_chemformula_name_width_bool
-\bool_new:N \l_chemformula_charge_shift_bool
+\bool_new:N \l_chemformula_charge_full_shift_bool
 
 % token lists:
 \tl_new:N \l_chemformula_tmpa_tl
@@ -696,6 +684,7 @@
 \tl_new:N \l_chemformula_fontspec_argument_tl
 \tl_new:N \l_chemformula_name_format_tl
   \tl_set:Nn \l_chemformula_name_format_tl { \scriptsize\centering }
+\tl_new:N \l_chemormula_sup_super_factor_tl
 
 % dimensions:
 \dim_new:N \l_chemformula_stoich_space_dim
@@ -707,19 +696,25 @@
 \dim_new:N \l_chemformula_cdot_space_dim
   \dim_set:Nn \l_chemformula_cdot_space_dim { .1333em }
 \dim_new:N \l_chemformula_charge_shift_dim
-  \dim_set:Nn \l_chemformula_charge_shift_dim { 1ex }
+  \dim_set:Nn \l_chemformula_charge_shift_dim { .5ex }
 \dim_new:N \l_chemformula_subscript_shift_default_dim
-  \dim_set:Nn \l_chemformula_subscript_shift_default_dim { -.6ex }
+  \dim_set:Nn \l_chemformula_subscript_shift_default_dim { -.65ex }
 \dim_new:N \l_chemformula_subscript_shift_dim
   \dim_set_eq:NN
     \l_chemformula_subscript_shift_dim
     \l_chemformula_subscript_shift_default_dim
 \dim_new:N \l_chemformula_subscript_shift_additional_dim
+\dim_new:N \l_chemformula_superscript_shift_default_dim
+  \dim_set:Nn \l_chemformula_superscript_shift_default_dim { .8ex }
+\dim_new:N \l_chemformula_superscript_shift_dim
+  \dim_set_eq:NN
+    \l_chemformula_superscript_shift_dim
+    \l_chemformula_superscript_shift_default_dim
+\dim_new:N \l_chemformula_superscript_shift_additional_dim
 \dim_new:N \l_chemformula_subscript_dim
   \dim_zero:N \l_chemformula_subscript_dim
-\dim_new:N \l_chemformula_supscript_dim
-  \dim_zero:N \l_chemformula_supscript_dim
-\dim_new:N \l_chemformula_subscript_compare_dim
+\dim_new:N \l_chemformula_superscript_dim
+  \dim_zero:N \l_chemformula_superscript_dim
 \dim_new:N \l_chemformula_bond_dim
   \hbox_set:Nn \l_tmpa_box { \textendash }
   \dim_set:Nn \l_chemformula_bond_dim { \box_wd:N \l_tmpa_box }
@@ -804,6 +799,8 @@
   { { \l_chemformula_decimal_output_tl } }
 \prop_put:Nnn \l_chemformula_stoich_prop { / } { / }
 \prop_put:Nnn \l_chemformula_stoich_prop { _ } { _ }
+\prop_put:Nnn \l_chemformula_stoich_prop { ( } { ( }
+\prop_put:Nnn \l_chemformula_stoich_prop { ) } { ) }
 
 %-----------------------------------------------------------------------------%
 % bonds:
@@ -871,203 +868,252 @@
       { \ensuremath { \text { #1 } } }
   }
 
-\cs_new:Npn \chemformula_subscript:n #1
+% subscripts
+\tl_new:N \l_chemformula_subscript_tl
+\box_new:N \l_chemformula_subscript_box
+
+% remove double or nested sub- and superscripts
+\cs_new:Nn \chemformula_subscript:n
   {
-    \bool_set_true:N \l_chemformula_sub_bool
-    % clean up wrong input
-    \tl_set:Nn \l_tmpc_tl { #1 }
-    \tl_replace_all:Nnn \l_tmpc_tl
-      { \chemformula_single_bond: } { \chemformula_minus: }
-    \tl_replace_all:Nnn \l_tmpc_tl
-      { \chemformula_triple_bond: } {\chemformula_plus: }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_adduct: } { . }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_star_adduct: } { * }
-    % measure width and save it
-    \hbox_set:Nn \l_tmpa_box
-      {
-        $\mathchoice
-          { \scriptstyle }
-          { \scriptstyle }
-          { \scriptscriptstyle }
-          { \scriptscriptstyle }
-        \prop_get:NnNTF \l_chemformula_numbers_prop { #1 } \l_tmpa_tl
-          { \chemformula_number_style:n { \l_tmpa_tl } }
-          { \chemformula_number_style:n { \l_tmpc_tl } }$
-      }
-    \dim_set:Nn \l_chemformula_subscript_dim { -\box_wd:N \l_tmpa_box }
-    \prop_get:NnNTF \l_chemformula_charge_prop { #1 } \l_tmpa_tl
-      {
-        \exp_args:NNo \hbox_set:Nn \l_tmpb_box
-          { $ ^ { \chemformula_charge_style:n { \l_tmpa_tl } } $ }
-      }
+    \tl_if_eq:nnTF { #1 }{ \chemformula_superscript:n }
+      { \chemformula_subscript_aux:n }
       {
-        \exp_args:NNo \hbox_set:Nn \l_tmpb_box
-          { $ ^ { \chemformula_charge_style:n { \l_tmpc_tl } } $ }
+        \tl_if_eq:nnTF { #1 }{ \chemformula_subscript:n }
+          { \chemformula_subscript_aux:n }
+          {
+            \tl_set:Nn \l_tmpc_tl { #1 }
+            \tl_if_in:nnT { #1 } { \chemformula_subscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_subscript:n } }
+            \tl_if_in:nnT { #1 } { \chemformula_superscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_superscript:n } }
+            \exp_args:No \chemformula_subscript_aux:n { \l_tmpc_tl }
+          }
       }
-    \dim_set:Nn \l_chemformula_subscript_compare_dim { -\box_wd:N \l_tmpb_box }
-    \box_clear:N \l_tmpa_box
-    \box_clear:N \l_tmpb_box
-    \bool_if:NT \l_chemformula_sup_bool
+  }
+
+% handle subscripts
+\cs_new:Nn \chemformula_subscript_aux:n
+  {
+    \tl_put_right:Nn \l_chemformula_subscript_tl { #1 }
+    \chemformula_clean_subscript:
+    % if a subscript follows just store and do nothing else
+    \peek_meaning:NF \chemformula_subscript:n
       {
-        \chemformula_sub_or_supscript_skip:
-        \bool_if:NT \l_chemformula_charge_shift_bool
+        % if a superscript follows store and do nothing else
+        % if something else follows both sub- and superscript
+        \peek_meaning:NF \chemformula_superscript:n
           {
-            \skip_horizontal:N \l_chemformula_charge_shift_dim
-            \bool_set_false:N \l_chemformula_charge_shift_bool
+            \chemformula_measure_subscript:V \l_chemformula_subscript_tl
+            \chemformula_measure_superscript:V \l_chemformula_superscript_tl
+            \chemformula_use_sub_and_superscript:
           }
-        \dim_zero:N \l_chemformula_supscript_dim
       }
-    % typeset subscript
-    \tex_raise:D \l_chemformula_subscript_shift_dim
+  }
+
+\cs_new:Npn \chemformula_clean_subscript:
+  {
+    \tl_replace_all:Nnn \l_chemformula_subscript_tl
+      { \chemformula_single_bond: } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_chemformula_subscript_tl
+      { \chemformula_triple_bond: } {\chemformula_plus: }
+    \tl_replace_all:Nnn \l_chemformula_subscript_tl
+      { \chemformula_adduct: } { . }
+    \tl_replace_all:Nnn \l_chemformula_subscript_tl
+      { \chemformula_star_adduct: } { * }
+  }
+
+\cs_new:Nn \chemformula_subscript_write:nV
+  {
+    \exp_args:No \dim_set:Nn \l_tmpa_dim
+      { \l_chemformula_subscript_shift_dim * #1 }
+    \tex_raise:D \l_tmpa_dim
     \hbox:n
       {
-        $\mathchoice
-          { \scriptstyle }
-          { \scriptstyle }
-          { \scriptscriptstyle }
-          { \scriptscriptstyle }
-        \prop_get:NnNTF \l_chemformula_numbers_prop { #1 } \l_tmpa_tl
+        $\scriptstyle
+        \prop_get:NoNTF \l_chemformula_numbers_prop
+          { #2 } \l_tmpa_tl
           { \chemformula_number_style:n { \l_tmpa_tl } }
-          { \chemformula_number_style:n { \l_tmpc_tl } }$
-      }
-    % look ahead what's coming next and set boolean accordingly
-    \peek_meaning:NTF \chemformula_supscript:n
-      { \bool_set_true:N \l_chemformula_sub_bool }
-      {
-        \peek_meaning:NTF \chemformula_chief_supscript:n
-          { \bool_set_true:N \l_chemformula_sub_bool }
-          { \bool_set_false:N \l_chemformula_sub_bool }
+          { \chemformula_number_style:n { #2 } }$
       }
   }
-\cs_new:Npn \chemformula_supscript:n #1
+
+\cs_new:Nn \chemformula_measure_subscript:V
   {
-    \bool_set_true:N \l_chemformula_sup_bool
-    % clean up wrong input
-    \tl_set:Nn \l_tmpc_tl { #1 }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_single_bond: }
-      { \chemformula_minus: }
-    \tl_replace_all:Nnn \l_tmpc_tl { - } { \chemformula_minus: }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_triple_bond: }
-      { \chemformula_plus: }
-    \tl_replace_all:Nnn \l_tmpc_tl { + } { \chemformula_plus: }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_adduct: }
-      { \chemformula_radical: }
-    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_star_adduct: } { * }
-    \tl_replace_all:Nnn \l_tmpc_tl { . } { \chemformula_radical: }
-    % measure width and save it
-    \prop_get:NnNTF \l_chemformula_charge_prop { #1 } \l_tmpa_tl
-      {
-        \exp_args:NNo \hbox_set:Nn \l_tmpa_box
-          { $ ^ { \chemformula_charge_style:n { \l_tmpa_tl } } $ }
-      }
-      {
-        \exp_args:NNo \hbox_set:Nn \l_tmpa_box
-          { $ ^ { \chemformula_charge_style:n { \l_tmpc_tl } } $ }
-      }
-    \dim_set:Nn \l_chemformula_supscript_dim
-      { -\box_wd:N \l_tmpa_box }
+    \hbox_set:Nn \l_tmpa_box
+      { \chemformula_subscript_write:nV { 1 } \l_chemformula_subscript_tl }
+    \dim_set:Nn \l_chemformula_subscript_dim { -\box_wd:N \l_tmpa_box }
     \box_clear:N \l_tmpa_box
-    \bool_if:NT \l_chemformula_sub_bool
-      {
-        \chemformula_sub_or_supscript_skip:
-        \skip_horizontal:n \l_chemformula_charge_shift_dim
-        \bool_set_true:N \l_chemformula_charge_shift_bool
-        \dim_zero:N \l_chemformula_subscript_dim
-      }
-    % typeset superscript
-    \prop_get:NnNTF \l_chemformula_charge_prop { #1 } \l_tmpa_tl
-      { $ ^ { \chemformula_charge_style:n { \l_tmpa_tl } } $ }
-      { $ ^ { \chemformula_charge_style:n { \l_tmpc_tl } } $ }
-    % look ahead what's coming next and set boolean accordingly
-    \peek_meaning:NTF \chemformula_subscript:n
-      { \bool_set_true:N \l_chemformula_sup_bool }
-      {
-        \peek_meaning:NTF \chemformula_chief_subscript:n
-          { \bool_set_true:N \l_chemformula_sup_bool }
-          { \bool_set_false:N \l_chemformula_sup_bool }
-      }
   }
 
-\cs_new:Npn \chemformula_sub_or_supscript_skip:
-  {
-    \bool_if:NTF \l_chemformula_first_is_sup_bool
-      {
-        % when compound starts with a superscript only shift back
-        % by the width of the subscript to align them left
-        \bool_set_false:N \l_chemformula_first_is_sup_bool
-        \skip_horizontal:N \l_chemformula_subscript_compare_dim
-        \bool_set_false:N \l_chemformula_sup_bool
-        \bool_set_false:N \l_chemformula_sub_bool
-      }
-      {
-        \dim_compare:nTF
-          {
-            \dim_abs:n { \l_chemformula_subscript_compare_dim }
-              <=
-            \dim_abs:n { \l_chemformula_supscript_dim }
-          }
-          { \skip_horizontal:N \l_chemformula_subscript_compare_dim }
-          { \skip_horizontal:N \l_chemformula_supscript_dim }
-        \bool_set_false:N \l_chemformula_sup_bool
-        \bool_set_false:N \l_chemformula_sub_bool
-      }
-  }
+% superscripts
+\tl_new:N \l_chemformula_superscript_tl
+\box_new:N \l_chemformula_superscript_box
 
-% handle sub- in superscripts and vice versa
-\cs_new:Npn \chemformula_chief_supscript:n #1
+% remove double or nested sub- and superscripts
+\cs_new:Npn \chemformula_superscript:n #1
   {
-    \tl_if_eq:nnTF { #1 } { \chemformula_supscript:n }
-      { \chemformula_supscript:n }
+    \tl_if_eq:nnTF { #1 } { \chemformula_superscript:n }
+      { \chemformula_superscript_aux:n }
       {
         \tl_if_eq:nnTF { #1 } { \chemformula_subscript:n }
-          { \chemformula_supscript:n }
+          { \chemformula_superscript_aux:n }
           {
             \tl_set:Nn \l_tmpc_tl { #1 }
             \tl_if_in:nnT { #1 } { \chemformula_subscript:n }
               { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_subscript:n } }
-            \tl_if_in:nnT { #1 } { \chemformula_supscript:n }
-              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_supscript:n } }
-            \exp_args:No \chemformula_supscript:n { \l_tmpc_tl }
+            \tl_if_in:nnT { #1 } { \chemformula_superscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_superscript:n } }
+            \exp_args:No \chemformula_superscript_aux:n { \l_tmpc_tl }
           }
       }
   }
 
-\cs_new:Npn \chemformula_chief_subscript:n #1
+% handle superscripts
+\cs_new:Nn \chemformula_superscript_aux:n
   {
-    \tl_if_eq:nnTF { #1 }{ \chemformula_supscript:n }
-      { \chemformula_subscript:n }
+    \tl_put_right:Nn \l_chemformula_superscript_tl { #1 }
+    \chemformula_clean_superscript:
+    \peek_meaning:NF \chemformula_superscript:n
       {
-        \tl_if_eq:nnTF { #1 }{ \chemformula_subscript:n }
-          { \chemformula_subscript:n }
+        \peek_meaning:NF \chemformula_subscript:n
           {
-            \tl_set:Nn \l_tmpc_tl { #1 }
-            \tl_if_in:nnT { #1 } { \chemformula_subscript:n }
-              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_subscript:n } }
-            \tl_if_in:nnT { #1 } { \chemformula_supscript:n }
-              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_supscript:n } }
-            \exp_args:No \chemformula_subscript:n { \l_tmpc_tl }
+            \chemformula_measure_subscript:V \l_chemformula_subscript_tl
+            \chemformula_measure_superscript:V \l_chemformula_superscript_tl
+            \chemformula_use_sub_and_superscript:
           }
       }
   }
 
-\cs_new:Npn \chemformula_test_for_subscript:n #1
+\cs_new:Npn \chemformula_clean_superscript:
   {
-    \peek_meaning:NT \chemformula_subscript:n
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { \chemformula_single_bond: } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { - } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { \chemformula_triple_bond: } { \chemformula_plus: }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { + } { \chemformula_plus: }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { \chemformula_adduct: } { \chemformula_radical: }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { \chemformula_star_adduct: } { * }
+    \tl_replace_all:Nnn \l_chemformula_superscript_tl
+      { . } { \chemformula_radical: }
+  }
+
+\cs_new:Nn \chemformula_superscript_write:nV
+  {
+    \exp_args:No \dim_set:Nn \l_tmpa_dim
+      { \l_chemformula_superscript_shift_dim * #1 }
+    \tex_raise:D \l_tmpa_dim
+    \hbox:n
       {
-        \bool_if:NT \l_chemformula_sup_bool
-          { \skip_horizontal:N #1 }
-        \bool_set_false:N \l_chemformula_sup_bool
+        $\scriptstyle
+        \prop_get:NoNTF \l_chemformula_charge_prop
+          { #2 } \l_tmpa_tl
+          { \chemformula_charge_style:n { \l_tmpa_tl } }
+          { \chemformula_charge_style:n { #2 } }$
       }
   }
 
-\cs_new:Npn \chemformula_test_for_supscript:n #1
+\cs_new:Nn \chemformula_measure_superscript:V
+  {
+    \hbox_set:Nn \l_tmpa_box
+      { \chemformula_superscript_write:nV { 1 } \l_chemformula_superscript_tl }
+    \dim_set:Nn \l_chemformula_superscript_dim
+      { -\box_wd:N \l_tmpa_box }
+    \box_clear:N \l_tmpa_box
+  }
+
+% typeset both sub- and superscripts
+\cs_new:Npn \chemformula_use_sub_and_superscript:
   {
-    \peek_meaning:NT \chemformula_subscript:n
+    \group_begin:
+    % No shift for excited state
+    \exp_args:No \tl_if_eq:nnT { \l_chemformula_superscript_tl } { * }
+      {
+        \bool_set_false:N \l_chemformula_charge_full_shift_bool
+        \dim_zero:N \l_chemformula_charge_shift_dim
+      }
+    % align to the right if isotope else to the left
+    \bool_if:NTF \l_chemformula_is_isotope_bool
       {
-        \bool_if:NT \l_chemformula_sup_bool
-          { \skip_horizontal:N #1 }
-        \bool_set_false:N \l_chemformula_sup_bool
+        \tl_if_blank:VF \l_chemformula_superscript_tl
+          {
+            \dim_compare:nT
+              { \l_chemformula_subscript_dim < \l_chemformula_superscript_dim }
+              {
+                \skip_horizontal:n { -\l_chemformula_subscript_dim }
+                \skip_horizontal:N \l_chemformula_superscript_dim
+              }
+          }
       }
+      {
+        % add hshift to the superscript if there also is a subscript
+        \tl_if_blank:VF \l_chemformula_superscript_tl
+          {
+            \tl_if_blank:VF \l_chemformula_subscript_tl
+              {
+                \bool_if:NTF \l_chemformula_charge_full_shift_bool
+                  { \skip_horizontal:n { -\l_chemformula_subscript_dim } }
+                  { \skip_horizontal:N \l_chemformula_charge_shift_dim }
+              }
+          }
+      }
+    % typeset superscript
+    \tl_if_blank:VF \l_chemformula_superscript_tl
+      {
+       \chemformula_superscript_write:nV { 1 } \l_chemformula_superscript_tl
+        % skip back for the subscript
+        \tl_if_blank:VF \l_chemformula_subscript_tl
+          {
+            \bool_if:NTF \l_chemformula_is_isotope_bool
+              { \skip_horizontal:N \l_chemformula_subscript_dim }
+              {
+                \skip_horizontal:N \l_chemformula_superscript_dim
+                    \bool_if:NTF \l_chemformula_charge_full_shift_bool
+                      { \skip_horizontal:N \l_chemformula_subscript_dim }
+                      {
+                        \skip_horizontal:n
+                          { -\l_chemformula_charge_shift_dim }
+                      }
+              }
+          }
+      }
+    % typeset subscript
+    \tl_if_blank:VF \l_chemformula_subscript_tl
+      { \chemformula_subscript_write:nV { 1 } \l_chemformula_subscript_tl }
+    \bool_if:NF \l_chemformula_is_isotope_bool
+      {
+        \dim_zero:N \l_tmpa_dim
+        \bool_if:NTF \l_chemformula_charge_full_shift_bool
+          {
+            \tl_if_blank:VF \l_chemformula_subscript_tl
+              { \dim_set:Nn \l_tmpa_dim { - \l_chemformula_superscript_dim } }
+          }
+          {
+            \tl_if_blank:VF \l_chemformula_superscript_tl
+              {
+                \tl_if_blank:VF \l_chemformula_subscript_tl
+                  {
+                    \dim_set:Nn \l_tmpa_dim
+                      {
+                        \l_chemformula_charge_shift_dim
+                        - \l_chemformula_superscript_dim
+                        + \l_chemformula_subscript_dim
+                      }
+                  }
+              }
+          }
+        \dim_compare:nT { \l_tmpa_dim > 0pt }
+          { \skip_horizontal:N \l_tmpa_dim }
+      }
+    \group_end:
+    % clean up
+    \bool_set_false:N \l_chemformula_is_isotope_bool
+    \tl_clear:N \l_chemformula_subscript_tl
+    \tl_clear:N \l_chemformula_superscript_tl
   }
 
 %-----------------------------------------------------------------------------%
@@ -1128,12 +1174,17 @@
 
 \cs_new:Npn \chemformula_parse_stoich:n #1
   {
-    \tl_if_in:nnTF { #1 } { _ }
-      { \chemformula_parse_stoich_misc_frac:w #1 \q_nil }
+    % TODO add support for missing leading 0
+    \tl_if_in:nnTF { #1 } { ( }
+      { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
       {
-        \tl_if_in:nnTF { #1 } { / }
-          { \chemformula_parse_stoich_frac:w #1 \q_nil }
-          { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
+        \tl_if_in:nnTF { #1 } { _ }
+          { \chemformula_parse_stoich_misc_frac:w #1 \q_nil }
+          {
+            \tl_if_in:nnTF { #1 } { / }
+              { \chemformula_parse_stoich_frac:w #1 \q_nil }
+              { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
+          }
       }
   }
 
@@ -1202,7 +1253,7 @@
           {
             \tl_put_right:Nn #2
               { \chemformula_font_inner: }
-            \chemformula_handle_sub_and_supscripts:nN { #1 } #2
+            \chemformula_handle_sub_and_superscripts:nN { #1 } #2
           }
       }
       {
@@ -1244,7 +1295,7 @@
 \cs_new:Npn \chemformula_fontspec_aux:w [#1]#2 \q_stop
   { \newfontfamily \chemformula_font: [ #1 ] { #2 } }
 
-\cs_new:Nn \chemformula_handle_sub_and_supscripts:nN
+\cs_new:Nn \chemformula_handle_sub_and_superscripts:nN
   {
     \tl_set_rescan:Nnn \l_tmpa_tl
       {
@@ -1254,18 +1305,26 @@
         \char_set_catcode_letter:N \\
       }
       { #1 }
-    % let's see if the compound starts with a superscript:
+    % let's see if the compound starts with a sub- or superscript:
+%     \exp_args:Nx \tl_show:n { \tl_head:V \l_tmpa_tl }
     \exp_args:Nx \tl_if_in:nnT { \tl_head:V \l_tmpa_tl } { ^ }
-      { \bool_set_true:N \l_chemformula_first_is_sup_bool }
+      { \bool_set_true:N \l_chemformula_is_isotope_bool }
+    \exp_args:Nx \tl_if_in:nnT { \tl_head:V \l_tmpa_tl } { _ }
+      { \bool_set_true:N \l_chemformula_is_isotope_bool }
+    \exp_args:NNx \prop_if_in:NnT \l_chemformula_numbers_prop
+      { \tl_head:V \l_tmpa_tl }
+      { \bool_set_true:N \l_chemformula_is_isotope_bool }
+%     \bool_if:NT \l_chemformula_is_isotope_bool
+%       { \exp_args:Nx \tl_show:n { \tl_head:V \l_tmpa_tl } }
     \tl_if_in:VnT \l_tmpa_tl { ^ }
       {
         \tl_replace_all:Nnn \l_tmpa_tl { ^ }
-          { \chemformula_chief_supscript:n }
+          { \chemformula_superscript:n }
       }
     \tl_if_in:VnT \l_tmpa_tl { _ }
       {
         \tl_replace_all:Nnn \l_tmpa_tl { _ }
-          { \chemformula_chief_subscript:n }
+          { \chemformula_subscript:n }
       }
     \int_zero:N \l_chemformula_count_tokens_int
     \tl_map_inline:Nn \l_tmpa_tl
@@ -1277,13 +1336,13 @@
             \tl_if_eq:nnTF { ##1 } { + }
               {
                 \tl_put_right:Nn #2
-                  { \chemformula_supscript:n { \chemformula_plus: } }
+                  { \chemformula_superscript:n { \chemformula_plus: } }
               }
               {
                 \tl_if_eq:nnTF { ##1 } { - }
                   {
                     \tl_put_right:Nn #2
-                      { \chemformula_supscript:n { \chemformula_minus: } }
+                      { \chemformula_superscript:n { \chemformula_minus: } }
                   }
                   {
                     \prop_get:NnNTF \l_chemformula_cmpd_prop { ##1 } \l_tmpb_tl
@@ -1399,7 +1458,7 @@
   {
     \tl_set_rescan:Nnn \l_tmpa_tl
       { \ExplSyntaxNamesOn \char_set_catcode_other:N \: }
-      { #1 }
+      { { #1 } }
     \tl_replace_all:Nnn \l_tmpa_tl { \_ } { chemformulaplaceholder }
     \tl_replace_all:Nnn \l_tmpa_tl { _ } { \sb }
     \tl_replace_all:Nnn \l_tmpa_tl { chemformulaplaceholder } { \_ }
@@ -1410,7 +1469,7 @@
 \cs_new:Npn \chemformula_read_escape_single:w '#1' \q_nil
   {
     \tl_set_rescan:Nnn \l_tmpa_tl
-      { \ExplSyntaxOn \char_set_catcode_other:N \: }
+      { \ExplSyntaxNamesOn \char_set_catcode_other:N \: }
       { { #1 } }
     \tl_replace_all:Nnn \l_tmpa_tl { \_ } { chemformulaplaceholder }
     \tl_replace_all:Nnn \l_tmpa_tl { _ } { \sb }
@@ -1513,12 +1572,27 @@
 % customization of output other than arrows
 \keys_define:nn { chemmacros / chemformula }
   {
-    charge-hshift         .dim_set:N = \l_chemformula_charge_shift_dim ,
-    charge-hshift         .default:n = 1ex ,
+    charge-hshift         .code:n    =
+      \tl_if_eq:nnTF { #1 } { full }
+        { \bool_set_true:N \l_chemformula_charge_full_shift_bool }
+        {
+          \bool_set_false:N \l_chemformula_charge_full_shift_bool
+          \dim_set:Nn \l_chemformula_charge_shift_dim { #1 }
+        } ,
+    charge-hshift         .default:n = .5ex ,
+    charge-vshift         .code:n    =
+      {
+        \dim_set:Nn \l_chemformula_superscript_shift_additional_dim { #1 }
+        \dim_set:Nn \l_chemformula_superscript_shift_dim
+          {
+            \l_chemformula_superscript_shift_default_dim +
+            \l_chemformula_superscript_shift_additional_dim
+          }
+      } ,
     charge-style          .choice: ,
-    charge-style / text   .code:n   =
+    charge-style / text   .code:n    =
       \bool_set_false:N \l_chemformula_charge_style_math_bool ,
-    charge-style / math   .code:n   =
+    charge-style / math   .code:n    =
       \bool_set_true:N \l_chemformula_charge_style_math_bool ,
     subscript-vshift      .code:n    =
       {
@@ -1612,11 +1686,21 @@ VERSION HISTORY
 2012/02/19 - version 3.1  - new functions in the chemmacros package
                           - new arrow types -/>, </- and <o>
                           - new commands \DeclareChemArrow, \RenewChemArrow and
-                            \ShowChemArrow                         
+                            \ShowChemArrow
+2012/02/26 - version 3.1a - changes in the chemmacros package
+2012/03/03 - version 3.1b - arrow types are stored in a sequence to automate the
+                            search and replace in the right order 
+                          - new arrow type ==                                   
+                          - IUPAC compliance for stoichiometric factors
+                          - new handling of super- and subscripts to correct
+                            various flaws: clear distinction between isotope and
+                            formula
+                          - new option charge-vshift
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TODO
 - Addukte: Zahlen nach * und . automatisch erkennen?
 - allow fractions in subscripts: _{$\frac{1}{2}$} ?
 - optionale argumente von \\ nach außen weiterreichen?
-- vertikaler shift für superskripte?
\ No newline at end of file
+- vertikalen Shift der Hoch- und Tiefstellungen mit \mathchoice anpassen:
+  \( K = \frac{[\ch{Na+}]^2[\ch{SO4^2-}]}{[\ch{Na2SO4}]} \)
\ No newline at end of file
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index 9f0569be67f..c12b04033ca 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                                                    - %
-% - 2012/02/26                                                              - %
+% - 2012/03/03                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -33,8 +33,8 @@
 
 \ProvidesExplPackage
   {chemmacros}
-  {2012/02/26}
-  {3.1a}
+  {2012/03/03}
+  {3.1b}
   {macros and commands for chemists}
 
 \@ifpackageloaded { chemformula } {} { \RequirePackage { chemformula } }
@@ -82,24 +82,28 @@
 
 % --------------------------------------------------------------------------- %
 % package options
-%   xspace      => add an \xspace after a whole bunch of macros
 %   bpchem      => use \IUPAC inside for \NMR command
 %   circled     => circle charges
 %   detect-bold => behaviour when font series bold
 %   EZ          => cool or chemmacros version of \E
 %   german      => change pKA => pKS etc
+%   iupac       => behaviour of nomenclature commands
 %   ngerman     => an alias :)
 %   ghsystem    => load ghsystem or don't
 %   method      => use `chemformula' or `mhchem'
 %   strict      => errors or warnings
 %   synchronize => let particles et.al. adapt chemformula's font selection
-%   iupac       => behaviour of nomenclature commands
+%   ugreek      => behaviour of \ChemDelta, \Chemalpha, ...
 %   version=1   => compatibility for documents set with v1.*
+%   xspace      => add an \xspace after a whole bunch of macros
 
 \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
+
 \cs_new:Nn \chemmacros_inner_font: {}
 
 \keys_define:nn { chemmacros / option }
@@ -137,6 +141,16 @@
     german             .default:n  = true ,
     ghsystem           .bool_set:N = \l_chemmacros_ghsystem_bool ,
     ghsystem           .default:n  = true ,
+    iupac              .choice: ,
+    iupac / restricted .code:n     =
+      \bool_set_true:N \l_chemmacros_iupac_restricted_bool
+      \bool_set_false:N \l_chemmacros_iupac_strict_bool ,
+    iupac / auto       .code:n     =
+      \bool_set_false:N \l_chemmacros_iupac_restricted_bool
+      \bool_set_false:N \l_chemmacros_iupac_strict_bool ,
+    iupac / strict     .code:n     =
+      \bool_set_false:N \l_chemmacros_iupac_restricted_bool
+      \bool_set_true:N \l_chemmacros_iupac_strict_bool ,
     method             .choice: ,
     method / chemformula   .code:n     =
       \bool_set_false:N \l_chemmacros_use_mhchem_bool ,
@@ -152,29 +166,30 @@
     strict             .bool_set:N = \l_chemmacros_strict_bool ,
     strict             .default:n  = true ,
     synchronize        .choice: ,
-    synchronize / true .code:n  =
+    synchronize / true .code:n     =
       \cs_set_eq:NN \chemmacros_inner_font: \chemformula_font_inner: ,
     synchronize / false .code:n = \cs_set:Nn \chemmacros_inner_font: {} ,
     synchronize        .default:n  = true ,
-    iupac              .choice: ,
-    iupac / restricted .code:n     =
-      \bool_set_true:N \l_chemmacros_iupac_restricted_bool
-      \bool_set_false:N \l_chemmacros_iupac_strict_bool ,
-    iupac / auto       .code:n     =
-      \bool_set_false:N \l_chemmacros_iupac_restricted_bool
-      \bool_set_false:N \l_chemmacros_iupac_strict_bool ,
-    iupac / strict     .code:n     =
-      \bool_set_false:N \l_chemmacros_iupac_restricted_bool
-      \bool_set_true:N \l_chemmacros_iupac_strict_bool ,
-    xspace             .bool_set:N = \l_chemmacros_xspace_bool ,
-    xspace             .default:n  = true ,
+    upgreek            .choice: ,
+    upgreek / upgreek  .code:n     =
+      \bool_set_true:N \l_chemmacros_use_upgreek_bool
+      \bool_set_false:N  \l_chemmacros_use_textgreek_bool ,
+    upgreek / textgreek .code:n    =
+      \bool_set_false:N \l_chemmacros_use_upgreek_bool
+      \bool_set_true:N  \l_chemmacros_use_textgreek_bool ,
+    upgreek / none     .code:n     =
+      \bool_set_false:N \l_chemmacros_use_upgreek_bool
+      \bool_set_false:N  \l_chemmacros_use_textgreek_bool ,
+    upgreek            .default:n  = upgreek ,
     version            .choice: ,
     version / 1        .code:n     =
       { \bool_set_true:N \l_chemmacros_version_one_bool } ,
     version / 2        .code:n     =
       { \bool_set_false:N \l_chemmacros_version_one_bool } ,
     version / bundle   .code:n     =
-      { \bool_set_false:N \l_chemmacros_version_one_bool }
+      { \bool_set_false:N \l_chemmacros_version_one_bool } ,
+    xspace             .bool_set:N = \l_chemmacros_xspace_bool ,
+    xspace             .default:n  = true
   }
 
 \ProcessKeysOptions { chemmacros / option }
@@ -190,7 +205,47 @@
       { \RequirePackage { xspace } }
     \bool_if:NT \l_chemmacros_use_mhchem_bool
       { \RequirePackage[ version=3 ]{ mhchem } }
-  }
+    \@ifpackageloaded { upgreek }
+      { \bool_set_true:N \l_chemmacros_use_upgreek_bool }
+      {
+        \@ifpackageloaded { textgreek }
+          { \bool_set_true:N  \l_chemmacros_use_textgreek_bool }
+          {}
+      }
+    \bool_if:NTF \l_chemmacros_use_upgreek_bool
+      {
+        \cs_set_nopar:Npn \Chemalpha { \ensuremath { \upalpha } }
+        \cs_set_nopar:Npn \Chembeta { \ensuremath { \upbeta } }
+        \cs_set_nopar:Npn \Chemgamma { \ensuremath { \upgamma } }
+        \cs_set_nopar:Npn \Chemdelta { \ensuremath { \updelta } }
+        \cs_set_nopar:Npn \Chemomega { \ensuremath { \upomega } }
+        \cs_set_nopar:Npn \ChemDelta { \ensuremath { \Updelta } }
+      }
+      {
+        \bool_if:NT \l_chemmacros_use_textgreek_bool
+          {
+            \cs_set_nopar:Npn \Chemalpha
+              { \ensuremath { \text { \textalpha } } }
+            \cs_set_nopar:Npn \Chembeta
+              { \ensuremath { \text { \textbeta } } }
+            \cs_set_nopar:Npn \Chemgamma
+              { \ensuremath { \text { \textgamma } } }
+            \cs_set_nopar:Npn \Chemdelta
+              { \ensuremath { \text { \textdelta } } }
+            \cs_set_nopar:Npn \Chemomega
+              { \ensuremath { \text { \textomega } } }
+            \cs_set_nopar:Npn \ChemDelta
+              { \ensuremath { \text { \textDelta } } }
+          }          
+      }
+  }
+
+\cs_new_nopar:Npn \Chemalpha { \ensuremath { \alpha } }
+\cs_new_nopar:Npn \Chembeta  { \ensuremath { \beta } }
+\cs_new_nopar:Npn \Chemgamma { \ensuremath { \gamma } }
+\cs_new_nopar:Npn \Chemdelta { \ensuremath { \delta } }
+\cs_new_nopar:Npn \Chemomega { \ensuremath { \omega } }
+\cs_new_nopar:Npn \ChemDelta { \ensuremath { \Delta } }
 
 \cs_new_nopar:Npn \chemmacros_xspace:
   {
@@ -226,6 +281,9 @@
     \token_to_str:N #2 \c_space_tl instead.
   }
 
+\msg_set:nnn { chemmacros } { command-dropped }
+  { The~command~\token_to_str:N #1 \c_space_tl has~been~dropped.~I'm~sorry. }
+
 \msg_set:nnnn { chemmacros } { declare-particle }
   {
     The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
@@ -582,6 +640,13 @@
       { #1 }
   }
 
+\NewDocumentCommand \Rad { O{}G{} }
+  {
+    \chemmacros_msg:nnxx { chemmacros } { command-dropped }
+      { \Rad } { }
+    #1#2
+  }
+
 % charges
 \cs_new_nopar:Npn \chemmacros_charge:n #1
   {
@@ -873,6 +938,20 @@
 \DeclareChemIUPAC \syn  { \textit { syn } }
 \DeclareChemIUPAC \anti { \textit { anti } }
 
+% attachments to heteroatoms / added hydrogen
+\DeclareChemIUPAC \H  { \textit { H } }
+\DeclareChemIUPAC \O  { \textit { O } }
+\DeclareChemIUPAC \N  { \textit { N } }
+\DeclareChemIUPAC \Sf  { \textit { S } }
+\DeclareChemIUPAC \P  { \textit { P } }
+
+% greek letters
+\DeclareChemIUPAC\a{\Chemalpha}
+\DeclareChemIUPAC\b{\Chembeta}
+\DeclareChemIUPAC\g{\Chemgamma}
+\DeclareChemIUPAC\d{\Chemdelta}
+\DeclareChemIUPAC\w{\Chemomega}
+
 % \iupac (basically the same as bpchem's \IUPAC)
 % - allows multiple breaking points as compound names can get really long and
 %   especially in multicolumn documents can span more than two lines
@@ -899,7 +978,7 @@
       \tex_ignorespaces:D
       \cs_set_eq:NN \- \chemmacros_break_point_hyphen:
       \cs_set_eq:NN \| \chemmacros_break_point:
-      \cs_set_eq:NN \^ \chemformula_supscript:n
+      \cs_set_eq:NN \^ \chemformula_superscript:n
       #1
     \group_end:
   }
@@ -1006,36 +1085,6 @@
     \chemmacros_xspace:
   }
 
-\char_set_catcode_letter:N \@
-
-% --------------------------------------------------------------------------- %
-% substituents
-% \Rad[<sign>]{<subscript>}
-
-\char_set_catcode_math_subscript:N \@
-\NewDocumentCommand \Rad { o g }
-  {
-    \chemmacros_atom:n
-      {
-        R
-        $
-          \IfNoValueF { #2 } { @ { \mathrm { #2 } } }
-          ^ {
-              \IfNoValueF { #1 }
-                {
-                  \tl_if_eq:nnTF { #1 } { + }
-                    { \chemmacros_plus: }
-                    {
-                      \tl_if_eq:nnT { #1 } { - }
-                        { \chemmacros_minus: }
-                    }
-                }
-            }
-        $
-      }
-  }
-\char_set_catcode_letter:N \@
-
 % --------------------------------------------------------------------------- %
 % units
 \DeclareSIUnit { \atm        } { atm }
@@ -1138,9 +1187,7 @@
 \fp_new:N \l_chemmacros_ox_number_fp
 
 \bool_new:N \l_chemmacros_ox_side_bool
-\bool_set_false:N \l_chemmacros_ox_side_bool
 \bool_new:N \l_chemmacros_ox_super_bool
-\bool_set_false:N \l_chemmacros_ox_super_bool
 \bool_new:N \l_chemmacros_ox_top_bool
 \bool_set_true:N \l_chemmacros_ox_top_bool
 
@@ -3208,6 +3255,8 @@ Version history
                             recommendations
                           - new option "acid-base/p-style"
                           - deprecated option: "option/detect-bold"
+2012/03/03 - version 3.1b - changes in the chemformula package
+                          - IUPAC compliance for \Delta and \ox
 
 % --------------------------------------------------------------------------- %
 % TODO:
diff --git a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
index 0e729748933..43a250ef30a 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                                                    - %
-% - 2012/02/19                                                              - %
+% - 2012/03/03                                                              - %
 % --------------------------------------------------------------------------- %
 % - https://bitbucket.org/cgnieder/chemmacros/                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -30,8 +30,8 @@
 \RequirePackage{ expl3 }
 \ProvidesExplPackage
   {ghsystem}
-  {2012/02/19}
-  {3.1}
+  {2012/03/03}
+  {3.1b}
   {globally harmonised system}
 
 % --------------------------------------------------------------------------- %
@@ -452,7 +452,8 @@ VERSION HISTORY
 2012/02/19 - version 3.1  - new functions in the chemmacros package
                           - new arrow types and functions in the chemformula
                             package
-
+2012/02/26 - version 3.1a - changes in the chemmacros package
+2012/03/03 - version 3.1b - changes in packages chemformula and chemmacros
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TODO: