new latex package chemnum (28jun11/2aug11)

git-svn-id: svn://tug.org/texlive/trunk@23357 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 1042 insertions, 0 deletions

diff --git a/Master/texmf-dist/tex/latex/chemnum/chemnum.sty b/Master/texmf-dist/tex/latex/chemnum/chemnum.sty
new file mode 100644
index 00000000000..dbc7ac73681
--- /dev/null
+++ b/Master/texmf-dist/tex/latex/chemnum/chemnum.sty
@@ -0,0 +1,1042 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% - chemnum - chemnum.sty                                                   - %
+% - a comprehensive numbering method for chemical compounds                 - %
+% --------------------------------------------------------------------------- %
+% - Clemens NIEDERBERGER                                                    - %
+% - 2011/08/02                                                              - %
+% --------------------------------------------------------------------------- %
+% - http://www.mychemistry.eu/                                              - %
+% - contact@mychemistry.eu                                                  - %
+% --------------------------------------------------------------------------- %
+% - If you have any ideas, questions, suggestions or bugs to report, please - %
+% - feel free to contact me.                                                - %
+% --------------------------------------------------------------------------- %
+% - Copyright 2011 Clemens Niederberger                                     - %
+% -                                                                         - %
+% - This work may be distributed and/or modified under the                  - %
+% - conditions of the LaTeX Project Public License, either version 1.3      - %
+% - of this license or (at your option) any later version.                  - %
+% - The latest version of this license is in                                - %
+% -   http://www.latex-project.org/lppl.txt                                 - %
+% - and version 1.3 or later is part of all distributions of LaTeX          - %
+% - version 2005/12/01 or later.                                            - %
+% -                                                                         - %
+% - This work has the LPPL maintenance status `maintained'.                 - %
+% -                                                                         - %
+% - The Current Maintainer of this work is Clemens Niederberger.            - %
+% -                                                                         - %
+% - This work consists of the files chemnum.sty, chemnum_doc_de.tex,        - %
+% - chemnum_doc_en.tex, bsp.tex, scheme-tmp.eps, scheme-bla.eps README and  - %
+% - the derived files chemnum_doc_de.pdf and chemnum_doc_en.pdf             - %
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\RequirePackage { expl3 , xparse , etoolbox , psfrag }
+
+\ProvidesExplPackage {chemnum} {2011/08/02} {0.3} {Numbering chemical compounds}
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% CHECK FOR SUPPORT
+% this part of the code is based on the corresponding part of siunitx.sty
+% l3 support:
+\cs_if_exist:NTF \msg_set:nnnn
+  {
+    \msg_set:nnnn { chemnum } { support-outdated }
+      { Support~package~#1~too~old. }
+      {
+        Please~install~an~up~to~date~version~of~#1. \\
+        Best~would~be~to~update~both~l3kernel~and~l3packages~bundles. \\
+        Loading~chemnum~will~abort!
+      }
+  }
+  {
+    \PackageError { chemnum } { Support~bundle~l3kernel~too~old. }
+      {
+        Please~install~an~up~to~date~version~of~the~l3kernel~bundle. \\
+        Loading~chemnum~will~abort!
+      }
+    \tex_endinput:D
+  }
+\@ifpackagelater { expl3 } { 2011/06/04 }
+  { }
+  {
+    \msg_error:nnx { chemnum } { support-outdated } { expl3 }
+    \tex_endinput:D
+  }
+
+\@ifpackagelater { xparse } { 2011/06/04 }
+  { }
+  {
+    \msg_error:nnx { chemnum } { support-outdated } { xparse }
+    \tex_endinput:D
+  }
+
+% error for missing packages
+\msg_set:nnnn { chemnum } { support-missing }
+  { Support~package~#1~missing. }
+  {
+    Support~package~#1~seems~to~be~missing. \\
+    Please~install~an~up~to~date~version~of~#1. \\
+  }
+
+% warning, if textgreek has already been loaded AND option "textgreek = <value>" is used
+\msg_set:nnnn { chemnum } { package-loaded }
+  { Package~#1~already~loaded. }
+  {
+    The~package~#1~has~already~been~loaded. \\
+    \tl_if_blank:nF { #2 } { Option~#2~will~not~be~used. }
+  }
+
+% textgreek support and package options:
+\bool_new:N \l_chemnum_textgreek_bool
+
+\cs_new:Npn \chemnum_load_package:nn #1#2
+  {
+    \bool_if:cT { l_chemnum_#2_bool }
+      {
+        \AtEndPreamble
+          {
+            \exp_args:No \file_if_exist:nTF { #2 . sty }
+              {
+                \tl_if_blank:nTF { #1 }
+                  { \RequirePackage { #2 } }
+                  {
+                    \@ifpackageloaded { #2 }
+                      { \msg_warning:nnxx { chemnum } { package-loaded } { #2 } { #1 } }
+                      { \RequirePackage [ #1 ] { #2 } }
+                  }
+              }
+              {
+                \msg_warning:nnx { chemnum } { support-missing } { #2 }
+                \bool_set_false:c { l_chemnum_#2_bool }
+              }
+          }
+      }
+  }
+
+\cs_new:Npn \chemnum_package_options:n #1
+  { \keys_set:nn { chemnum / package } { #1 } }
+
+\keys_define:nn { chemnum / package } {
+  textgreek .choice: ,
+  textgreek .choice_code:n      = \chemnum_load_package:nn \l_keys_choice_tl { textgreek } ,
+  textgreek .generate_choices:n = { artemisia , cbgreek , euler } ,
+  textgreek .default:n          = cbgreek
+}
+
+\DeclareOption { textgreek }             { \bool_set_true:N \l_chemnum_textgreek_bool \chemnum_package_options:n { textgreek } }
+\DeclareOption { textgreek = artemisia } { \bool_set_true:N \l_chemnum_textgreek_bool \chemnum_package_options:n { textgreek = artemisia } }
+\DeclareOption { textgreek = cbgreek }   { \bool_set_true:N \l_chemnum_textgreek_bool \chemnum_package_options:n { textgreek = cbgreek } }
+\DeclareOption { textgreek = euler }     { \bool_set_true:N \l_chemnum_textgreek_bool \chemnum_package_options:n { textgreek = euler } }
+\DeclareOption { textgreek = false }     { \bool_set_false:N \l_chemnum_textgreek_bool }
+\ExecuteOptions { textgreek }
+\ProcessOptions \scan_stop:
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% TOOLS
+\int_new:N \g_chemnum_cmpd_main_int
+\prop_new:N \g_chemnum_label_prop
+\int_new:N \g_chemnum_cmpd_int
+\tl_new:N \l_chemnum_tmpa_tl
+\tl_new:N \l_chemnum_tmpb_tl
+\clist_new:N \g_chemnum_cmpd_save_clist
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% READ FROM PREVIOUS RUN, SAVE FOR NEXT RUN
+% save all labels in a clist
+\cs_new:Npn \chemnum_cmpd_save:n #1 { \clist_gput_right:Nn \g_chemnum_cmpd_save_clist { #1 } }
+
+\msg_set:nnn { chemnum } { missing-cmpd-file }
+  {
+    The~file~ \c_job_name_tl .cmpd~hasn't~been~available~yet. \\
+    Please~rerun~to~get~referencing~compound~labels~right.
+  }
+
+\file_if_exist:nTF { ./ \c_job_name_tl . cmpd }
+  { \file_input:n { ./ \c_job_name_tl . cmpd } }
+  { \msg_warning:nn { chemnum }{ missing-cmpd-file } }
+
+% write ref commands for all labels in <jobname>.cmpd file to make them available at the next run
+\AtEndDocument
+  {
+    \iow_open:Nn \chemnum_aux_file { ./ \c_job_name_tl . cmpd }
+    \clist_map_inline:Nn \g_chemnum_cmpd_save_clist
+      {
+        \iow_now:Nx \chemnum_aux_file
+          {
+            \use:c { cs_new_nopar:cpn } { chemnum_cmpd_ #1 _ref: }
+              { \exp_not:f { \use:c { chemnum_cmpd_ #1 : } } }
+          }
+        \cs_if_exist:cT { chemnum_cmpd_ #1 _min: }
+          {
+            \iow_now:Nx \chemnum_aux_file
+              {
+                \use:c { cs_new_nopar:cpn } { chemnum_cmpd_ #1 _min_ref: }
+                  { \exp_not:f { \use:c { chemnum_cmpd_ #1 _min: } } }
+              }
+          }
+        \cs_if_exist:cT { chemnum_cmpd_ #1 _max: }
+          {
+            \iow_now:Nx \chemnum_aux_file
+              {
+                \use:c { cs_new_nopar:cpn } { chemnum_cmpd_ #1 _max_ref: }
+                  { \exp_not:f { \use:c { chemnum_cmpd_ #1 _max: } } }
+              }
+          }
+      }
+    \iow_close:N \chemnum_aux_file
+  }
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% COMPOUND LABELS
+% STYLE OF COMPOUND LABEL
+\tl_new:N \l_chemnum_style_tmp_tl
+\bool_new:N \l_chemnum_cmpd_style_is_macro_bool
+
+% default style
+\cs_new_nopar:Npn \chemnum_cmpd_style_value:n { \bfseries }
+
+% error message
+\msg_set:nnn { chemnum } { cmpd-style } { The~value~of~"cmpd-style~=~<style>"~needs~to~be~a~(or~more)~macro~\msg_line_context: . }
+
+% set style %TODO
+\cs_new_nopar:Npn \chemnum_cmpd_set_style:n #1
+%   {
+%     \tl_clear:N \l_chemnum_style_tmp_tl
+%     \tl_map_variable:nNn { #1 } \l_chemnum_style_tmp_tl
+%       {
+%         \exp_args:No \token_if_cs:NTF \l_chemnum_style_tmp_tl
+%           { \bool_set_true:N \l_chemnum_cmpd_style_is_macro_bool }
+%           { \bool_set_false:N \l_chemnum_cmpd_style_is_macro_bool }
+%       }
+%     \bool_if:NTF \l_chemnum_cmpd_style_is_macro_bool
+      { \cs_set_nopar:Npn \chemnum_cmpd_style_value:n { #1 } }
+%       { \msg_error:nnx { chemnum } { cmpd-style } { #1 } }
+%   }
+
+% use style
+\cs_new_nopar:Npn \chemnum_cmpd_use_style:n #1
+  { \group_begin: \chemnum_cmpd_style_value:n { #1 } \group_end: }
+
+%-----------------------------------------------------------------------------%
+% prefix, suffix, delimiters, format and separator of compound label
+\tl_new:N \l_chemnum_cmpd_prefix_tl
+\tl_new:N \l_chemnum_cmpd_suffix_tl
+
+\tl_new:N \l_chemnum_cmpd_space_tl
+\tl_set:Nn \l_chemnum_cmpd_space_tl { \penalty\@m\  }
+
+\tl_new:N \l_chemnum_cmpd_separator_tl
+
+\tl_new:N \l_chemnum_cmpd_odelim_tl
+\tl_new:N \l_chemnum_cmpd_cdelim_tl
+
+% error message for wrong argument length of delim-keys
+\msg_set:nnn { chemnum } { delimiters }
+  {
+    "#1-delim~=~<odelim><cdelim>"~needs~two~tokens~or~token~groups~as~a~value~\msg_line_context: .
+  }
+
+% set compound delimiters
+\cs_new_nopar:Npn \chemnum_cmpd_delim:n #1
+  {
+    \tl_if_blank:nTF { #1 }
+      {
+        \tl_clear:N \l_chemnum_cmpd_odelim_tl
+        \tl_clear:N \l_chemnum_cmpd_cdelim_tl
+      }
+      {
+        \int_compare:nNnTF { \tl_length:n { #1 } } = 2
+          {
+            \tl_set:Nx \l_chemnum_cmpd_odelim_tl { \tl_head:n { #1 } }
+            \tl_set:Nx \l_chemnum_cmpd_cdelim_tl { \tl_tail:n { #1 } }
+          }
+          { \msg_error:nnx { chemnum } { delimiters } { cmpd } }
+      }
+  } 
+
+% format of numbering
+\cs_new_nopar:Npn \chemnum_cmpd_kind:nn #1#2
+  { \cs:w int_to_#1:n \cs_end: #2 }
+
+% default format
+\tl_new:N \l_chemnum_cmpd_kind_value_tl
+\tl_set:Nn \l_chemnum_cmpd_kind_value_tl { arabic }
+
+% format of sub-numbering
+\cs_new_nopar:Npn \chemnum_cmpd_sub_kind:nn #1#2
+  { \cs:w int_to_#1:n \cs_end: #2 }
+\cs_generate_variant:Nn \chemnum_cmpd_sub_kind:nn { Nc }
+
+% default format
+\tl_new:N \l_chemnum_cmpd_sub_kind_value_tl
+\tl_set:Nn \l_chemnum_cmpd_sub_kind_value_tl { alph }
+
+%-----------------------------------------------------------------------------%
+% add greek letters and symbols as numbering format
+% define \int_to_greek function
+\cs_new:Npn \int_to_greek:n { }
+\bool_if:NTF \l_chemnum_textgreek_bool
+  {
+    \cs_set:Npn \int_to_greek:n #1
+      {
+        \int_convert_to_symbols:nnn {#1} { 24 }
+          {
+            {  1 } { \exp_not:o \textalpha }
+            {  2 } { \exp_not:o \textbeta }
+            {  3 } { \exp_not:o \textgamma }
+            {  4 } { \exp_not:o \textdelta }
+            {  5 } { \exp_not:o \textepsilon }
+            {  6 } { \exp_not:o \textzeta }
+            {  7 } { \exp_not:o \texteta }
+            {  8 } { \exp_not:o \texttheta }
+            {  9 } { \exp_not:o \textiota }
+            { 10 } { \exp_not:o \textkappa }
+            { 11 } { \exp_not:o \textlambda }
+            { 12 } { \exp_not:o \textmugreek }
+            { 13 } { \exp_not:o \textnu }
+            { 14 } { \exp_not:o \textxi }
+            { 15 } { \exp_not:o \textomikron }
+            { 16 } { \exp_not:o \textpi }
+            { 17 } { \exp_not:o \textrho }
+            { 18 } { \exp_not:o \textsigma }
+            { 19 } { \exp_not:o \texttau }
+            { 20 } { \exp_not:o \textupsilon }
+            { 21 } { \exp_not:o \textphi }
+            { 22 } { \exp_not:o \textchi }
+            { 23 } { \exp_not:o \textpsi }
+            { 24 } { \exp_not:o \textomega }
+          }
+      }
+  }
+  {
+    \cs_set_eq:NN \int_to_greek:n \int_to_alph:n
+  }
+
+% define \int_to_Greek function
+\cs_new:Npn \int_to_Greek:n { }
+\bool_if:NTF \l_chemnum_textgreek_bool
+  {
+    \cs_set:Npn \int_to_Greek:n #1
+      {
+        \int_convert_to_symbols:nnn { #1 } { 24 }
+          {
+            {  1 } { \exp_not:o \textAlpha }
+            {  2 } { \exp_not:o \textBeta }
+            {  3 } { \exp_not:o \textGamma }
+            {  4 } { \exp_not:o \textDelta }
+            {  5 } { \exp_not:o \textEpsilon }
+            {  6 } { \exp_not:o \textZeta }
+            {  7 } { \exp_not:o \textEta }
+            {  8 } { \exp_not:o \textTheta }
+            {  9 } { \exp_not:o \textIota }
+            { 10 } { \exp_not:o \textKappa }
+            { 11 } { \exp_not:o \textLambda }
+            { 12 } { \exp_not:o \textMu }
+            { 13 } { \exp_not:o \textNu }
+            { 14 } { \exp_not:o \textXi }
+            { 15 } { \exp_not:o \textOmikron }
+            { 16 } { \exp_not:o \textPi }
+            { 17 } { \exp_not:o \textRho }
+            { 18 } { \exp_not:o \textSigma }
+            { 19 } { \exp_not:o \textTau }
+            { 20 } { \exp_not:o \textUpsilon }
+            { 21 } { \exp_not:o \textPhi }
+            { 22 } { \exp_not:o \textChi }
+            { 23 } { \exp_not:o \textPsi }
+            { 24 } { \exp_not:o \textOmega }
+          }
+      }
+  }
+  {
+    \cs_set_eq:NN \int_to_Greek:n \int_to_Alph:n
+  }
+
+% define \int_to_Symbol function
+\cs_new:Npn \int_to_Symbol:n #1
+  {
+    \int_convert_to_symbols:nnn { #1 } { 9 }
+      {
+        { 1 } {\exp_not:o \textasteriskcentered }
+        { 2 } {\exp_not:o \textdagger}
+        { 3 } {\exp_not:o \textdaggerdbl}
+        { 4 } {\exp_not:o \textsection}
+        { 5 } {\exp_not:o \textparagraph}
+        { 6 } {\exp_not:o \textbardbl}
+        { 7 } {\exp_not:o \textasteriskcentered \textasteriskcentered}
+        { 8 } {\exp_not:o \textdagger \textdagger}
+        { 9 } {\exp_not:o \textdaggerdbl \textdaggerdbl}
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% lists of sublabels
+\clist_new:N \l_chemnum_sublabel_clist
+\tl_new:N \l_chemnum_sublabel_list_sep_tl
+\tl_set:Nn \l_chemnum_sublabel_list_sep_tl { , }
+\tl_new:N \l_chemnum_cmpd_sublabel_list_tl
+\int_new:N \l_chemnum_sublabel_list_current_int
+\int_new:N \l_chemnum_sublabel_list_length_int
+\bool_new:N \l_chemnum_sublabel_list_bool
+
+\cs_new_nopar:Npn \chemnum_cmpd_sublabel_list:nn #1#2
+  {
+    \clist_clear:N \l_chemnum_sublabel_clist
+    \clist_set_eq:NN \l_chemnum_sublabel_clist #2
+    \int_set:Nn \l_chemnum_sublabel_list_length_int
+      { \clist_length:N \l_chemnum_sublabel_clist }
+    \clist_map_variable:NNn \l_chemnum_sublabel_clist \l_chemnum_tmpb_tl
+      {
+        \int_incr:N \l_chemnum_sublabel_list_current_int
+        \exp_after:wN \chemnum_cmpd_sublabelsep:n \l_chemnum_tmpb_tl \q_stop
+        \use:c { chemnum_cmpd_#1_ \l_chemnum_cmpd_sub_one_label_tl _ref: }
+        \exp_args:No \tl_if_blank:nF { \l_chemnum_cmpd_sub_two_label_tl }
+          {
+            \tl_use:N \l_chemnum_sub_range_sep_tl
+            \use:c { chemnum_cmpd_#1_ \l_chemnum_cmpd_sub_two_label_tl _ref: }
+          }
+        \int_compare:nT { \l_chemnum_sublabel_list_current_int < \l_chemnum_sublabel_list_length_int }
+          { \tl_use:N \l_chemnum_sublabel_list_sep_tl }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% variables
+\tl_new:N \l_chemnum_cmpd_name_tl
+
+\bool_new:N \l_chemnum_cmpd_name_bool
+\bool_set_false:N \l_chemnum_cmpd_name_bool
+
+\bool_new:N \l_chemnum_cmpd_all_bool
+\bool_set_false:N \l_chemnum_cmpd_all_bool
+
+\bool_new:N \l_chemnum_cmpd_range_bool
+\bool_set_false:N \l_chemnum_cmpd_range_bool
+
+\tl_new:N \l_chemnum_cmpd_labelsep_tl
+\tl_set:Nn \l_chemnum_cmpd_labelsep_tl { . }
+
+\tl_new:N \l_chemnum_sublabel_range_marker_tl
+% \char_make_other:N \:
+\tl_set:Nn \l_chemnum_sublabel_range_marker_tl { .. }
+% \catcode 58 = 11 \relax
+
+\tl_new:N \l_chemnum_sub_range_sep_tl
+\tl_set:Nn \l_chemnum_sub_range_sep_tl { - }
+
+%-----------------------------------------------------------------------------%
+% property keys for compounds
+\keys_define:nn { chemnum } {
+  cmpd-style         .code:n             = \chemnum_cmpd_set_style:n { #1 } ,
+  cmpd-style         .default:n          = \textbf ,
+  cmpd-label         .code:n             =
+    {
+      \bool_set_true:N \l_chemnum_cmpd_name_bool
+      \tl_set:Nn \l_chemnum_cmpd_name_tl { #1 }
+    } ,
+  cmpd-prefix        .tl_set:N           = \l_chemnum_cmpd_prefix_tl ,
+  cmpd-prefix        .default:n          = { } ,
+  cmpd-suffix        .tl_set:N           = \l_chemnum_cmpd_suffix_tl ,
+  cmpd-suffix        .default:n          = { } ,
+  cmpd-space         .tl_set:N           = \l_chemnum_cmpd_space_tl ,
+  cmpd-space         .default:n          = { \penalty\@m\  },
+  cmpd-delim         .code:n             = \chemnum_cmpd_delim:n { #1 },
+  cmpd-delim         .default:n          = {(}{)} ,
+  cmpd-odelim        .tl_set:N           = \l_chemnum_cmpd_odelim_tl ,
+  cmpd-odelim        .default:n          = { } ,
+  cmpd-cdelim        .tl_set:N           = \l_chemnum_cmpd_cdelim_tl ,
+  cmpd-cdelim        .default:n          = { } ,
+  cmpd-sep           .tl_set:N           = \l_chemnum_cmpd_separator_tl ,
+  cmpd-sep           .default:n          = { } ,
+  cmpd-all           .bool_set:N         = \l_chemnum_cmpd_all_bool ,
+  cmpd-all           .default:n          = true ,
+  cmpd-counter       .choice: ,
+  cmpd-counter       .choice_code:n      = \tl_set_eq:NN \l_chemnum_cmpd_kind_value_tl \l_keys_choice_tl ,
+  cmpd-counter       .generate_choices:n = { arabic , alph , Alph , greek, Greek , roman , Roman , Symbol } ,
+  cmpd-counter       .default:n          = arabic ,
+  sub-counter        .choice: ,
+  sub-counter        .choice_code:n      = \tl_set_eq:NN \l_chemnum_cmpd_sub_kind_value_tl \l_keys_choice_tl ,
+  sub-counter        .generate_choices:n = { arabic , alph , Alph , greek , Greek , roman , Roman , Symbol } ,
+  sub-counter        .default:n          = alph ,
+  sub-marker         .code:n             = \chemnum_subcmpdsep:n { #1 } ,
+  sub-marker         .default:n          = . ,
+  sub-range-marker   .code:n             = \chemnum_sublabel_range_marker:n { #1 } ,
+  sub-range-marker   .default:n          = { .. } ,
+  sub-range-sep      .tl_set:N           = \l_chemnum_sub_range_sep_tl ,
+  sub-range-sep      .default:n          = { - } ,
+  sub-list          .code:n             =
+    {
+      \tl_set:Nn \l_chemnum_cmpd_sublabel_list_tl { #1 }
+      \bool_set_true:N \l_chemnum_sublabel_list_bool
+    }
+}
+
+%-----------------------------------------------------------------------------%
+% list separators, delimiters, prefix and suffix
+\bool_new:N \l_chemnum_list_last_sep_US_bool
+\bool_set_true:N \l_chemnum_list_last_sep_US_bool
+
+\tl_new:N \l_chemnum_list_separator_tl
+\tl_set:Nn \l_chemnum_list_separator_tl { , }
+
+\tl_new:N \l_chemunm_list_space_tl
+\tl_set:Nn \l_chemnum_list_space_tl { \penalty\@m\  }
+
+\tl_new:N \l_chemnum_list_last_separator_lang_tl
+\tl_set:Nn \l_chemnum_list_last_separator_lang_tl { and }
+
+\tl_new:N \l_chemnum_list_last_separator_tl
+\tl_set:Nn \l_chemnum_list_last_separator_tl { \tl_use:N \l_chemnum_list_last_separator_lang_tl }
+
+\tl_new:N \l_chemnum_list_prefix_tl { }
+\tl_set:Nn \l_chemnum_list_prefix_tl { }
+
+\tl_new:N \l_chemnum_list_suffix_tl { }
+\tl_set:Nn \l_chemnum_list_suffix_tl { }
+
+\tl_new:N \l_chemnum_list_odelim_tl { }
+\tl_new:N \l_chemnum_list_cdelim_tl { }
+
+\cs_new_nopar:Npn \chemnum_list_delim:n #1 {
+  \tl_if_blank:nTF { #1 } {
+    \tl_clear:N \l_chemnum_list_odelim_tl
+    \tl_clear:N \l_chemnum_list_cdelim_tl
+  }{
+    \int_compare:nNnTF { \tl_length:n { #1 } } = 2 {
+      \tl_set:Nx \l_chemnum_list_odelim_tl { \tl_head:n { #1 } }
+      \tl_set:Nx \l_chemnum_list_cdelim_tl { \tl_tail:n { #1 } }
+    }{ \msg_error:nnx { chemnum } { delimiters } { list } }
+  }
+}
+
+%-----------------------------------------------------------------------------%
+% property keys for lists
+\keys_define:nn { chemnum } {
+  list-prefix        .tl_set:N  = \l_chemnum_list_prefix_tl ,
+  list-prefix        .default:n = { } ,
+  list-suffix        .tl_set:N  = \l_chemnum_list_suffix_tl ,
+  list-suffix        .default:n = { } ,
+  list-delim         .code:n    = \chemnum_list_delim:n { #1 } ,
+  list-delim         .default:n = {(}{)} ,
+  list-odelim        .tl_set:N  = \l_chemnum_list_odelim_tl ,
+  list-odelim        .default:n = { } ,
+  list-cdelim        .tl_set:N  = \l_chemnum_list_cdelim_tl ,
+  list-cdelim        .default:n = { } ,
+  list-space         .tl_set:N  = \l_chemnum_list_space_tl ,
+  list-space         .default:n = { \penalty\@m\  } ,
+  list-sep           .tl_set:N  = \l_chemnum_list_separator_tl ,
+  list-sep           .default:n = { , },
+  list-last-sep      .tl_set:N  = \l_chemnum_list_last_separator_tl ,
+  list-last-sep      .default:n = \l_chemnum_list_last_separator_lang_tl ,
+  list-lang .choice: ,
+  list-lang / US .code:n =
+    {
+      \bool_set_true:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { and }
+    } ,
+  list-lang / GB .code:n =
+    {
+      \bool_set_false:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { and }
+    } ,
+  list-lang / DE .code:n =
+    {
+      \bool_set_false:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { und }
+    } ,
+  list-lang / FR .code:n =
+    {
+      \bool_set_false:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { et }
+    } ,
+  list-lang / IT .code:n =
+    {
+      \bool_set_false:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { e }
+    } ,
+  list-lang / ES .code:n =
+    {
+      \bool_set_false:N \l_chemnum_list_last_sep_US_bool
+      \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { y }
+    } ,
+  list-lang .default:n = US
+}
+
+%-----------------------------------------------------------------------------%
+% label and sublabel declaration
+\cs_new:Npn \chemnum_cmpd_declare:n #1
+  {
+    \cs_if_exist:cF { chemnum_cmpd_#1: }
+      {
+        \int_gincr:N \g_chemnum_cmpd_main_int
+        \prop_gput:Nnx \g_chemnum_label_prop { #1 } { \int_use:N \g_chemnum_cmpd_main_int }
+        \chemnum_cmpd_save:n { #1 }
+        \bool_if:NF \l_chemnum_cmpd_name_bool
+          { \int_gincr:N \g_chemnum_cmpd_int }
+        \cs_new_nopar:cpx { chemnum_cmpd_#1: } {
+          \bool_if:NTF \l_chemnum_cmpd_name_bool
+            { \l_chemnum_cmpd_name_tl }
+            {
+              \chemnum_cmpd_kind:nn
+                \l_chemnum_cmpd_kind_value_tl
+                \g_chemnum_cmpd_int
+            }
+        }
+      }
+  }
+
+\cs_new:Npn \chemnum_cmpd_sub_declare:nn #1#2
+  {
+    \cs_if_exist:cF { chemnum_cmpd_#1_#2: }
+      {
+        \chemnum_cmpd_save:n { #1 _ #2 }
+        \cs_new_nopar:cpx { chemnum_cmpd_#1_#2: } { }
+        \int_gincr:c { g_chemnum_cmpd_#1_int }
+        \cs_gset_nopar:cx { chemnum_cmpd_#1_#2: }
+          {
+            \chemnum_cmpd_sub_kind:Nc
+              \l_chemnum_cmpd_sub_kind_value_tl
+              { g_chemnum_cmpd_#1_int }
+          }
+        \int_compare:nT { \int_use:c { g_chemnum_cmpd_#1_int } = 1 }
+          {
+            \cs_gset_eq:cc { chemnum_cmpd_#1_min: } { chemnum_cmpd_#1_#2: }
+          }
+        \cs_gset_eq:cc { chemnum_cmpd_#1_max: } { chemnum_cmpd_#1_#2: }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% label and sublabel initiation
+\cs_new:Npn \chemnum_cmpd_initiate:nn #1#2
+  {
+    \cs_if_exist:cTF { chemnum_cmpd_#1_init: }
+      {
+        \bool_if:NT \l_chemnum_cmpd_sub_init_bool
+          {
+            \tl_if_blank:nF { #2 }
+              {
+                \cs_if_exist:cF { chemnum_cmpd_ #1 _ #2 _init: }
+                  {
+                    \bool_if:NTF \l_chemnum_cmpd_init_strict_bool
+                      { \msg_error:nnx   { chemnum } { cmpd-sub-init } { #1 \l_chemnum_cmpd_labelsep_tl #2 } }
+                      { \msg_warning:nnx { chemnum } { cmpd-sub-init } { #1 \l_chemnum_cmpd_labelsep_tl #2 } }
+                  }
+              }
+          }
+      }
+      {
+        \bool_if:NTF \l_chemnum_cmpd_init_strict_bool
+          { \msg_error:nnx { chemnum } { cmpd-init } { #1 } }
+          { \msg_warning:nnx { chemnum } { cmpd-init } { #1 } }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% sub label separator
+% error message if no separator is chosen
+\msg_set:nnnn { chemnum } { sub-label-separator }
+  {
+    Missing~separator~token~as~value~for~the~key~sub-cmpd-sep \c_space_tl \msg_line_context: !
+  }
+  {
+    You~used~the~key~sub-cmpd-sep \c_space_tl \msg_line_context: ~but~left~the~argument~empty.\\
+    This~can't~work.~Please~select~a~token~as~separator.
+  }
+
+%-----------------------------------------------------------------------------%
+% variables
+
+\tl_new:N \l_chemnum_cmpd_main_label_tl
+\tl_new:N \l_chemnum_cmpd_sub_label_tl
+
+\tl_new:N \l_chemnum_labelsep_tmp_tl
+
+% actual separating
+\cs_new_nopar:Npn \chemnum_subcmpdsep:n #1 {
+  \tl_if_blank:nTF { #1 }
+    { \msg_error:nn { chemnum } { sub-label-separator } }
+    { \tl_set:Nn \l_chemnum_cmpd_labelsep_tl { #1 } }
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_labelsep:n #1 \q_stop {
+  \tl_clear:N \l_chemnum_labelsep_tmp_tl
+  \exp_args:Noo \tl_if_in:nnTF { #1 } { \l_chemnum_cmpd_labelsep_tl }
+    { 
+      \tl_set:Nn \l_chemnum_labelsep_tmp_tl { #1 }
+      \exp_args:NNo \tl_replace_once:Nnn \l_chemnum_labelsep_tmp_tl { \l_chemnum_cmpd_labelsep_tl } { \q_nil }
+      \exp_after:wN \chemnum_cmpd_labelsep_aux_ii:n \l_chemnum_labelsep_tmp_tl \q_stop
+    }
+    { \chemnum_cmpd_labelsep_aux_i:n { #1 } }
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_labelsep_aux_i:n #1 {
+  \tl_set:Nn \l_chemnum_cmpd_main_label_tl { #1 }
+  \tl_clear:N \l_chemnum_cmpd_sub_label_tl
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_labelsep_aux_ii:n #1 \q_nil #2 \q_stop {
+  \tl_set:Nn \l_chemnum_cmpd_main_label_tl { #1 }
+  \tl_set:Nn \l_chemnum_cmpd_sub_label_tl { #2 }
+}
+
+% sublabel separating to display a range
+\cs_new_nopar:Npn \chemnum_sublabel_range_marker:n #1 {
+  \tl_if_blank:nTF { #1 }
+    { \msg_error:nn { chemnum } { sub-label-range_sep } }
+    { \tl_set:Nn \l_chemnum_sublabel_range_marker_tl { #1 } }
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_sublabelsep:n #1 \q_stop {
+  \tl_clear:N \l_chemnum_sublabelsep_tmp_tl
+  \exp_args:Noo \tl_if_in:nnTF { #1 } { \l_chemnum_sublabel_range_marker_tl }
+    { 
+      \tl_set:Nn \l_chemnum_sublabelsep_tmp_tl { #1 }
+      \exp_args:NNo \tl_replace_once:Nnn \l_chemnum_sublabelsep_tmp_tl { \l_chemnum_sublabel_range_marker_tl } { \q_nil }
+      \exp_after:wN \chemnum_cmpd_sublabelsep_aux_ii:n \l_chemnum_sublabelsep_tmp_tl \q_stop
+    }
+    { \chemnum_cmpd_sublabelsep_aux_i:n { #1 } }
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_sublabelsep_aux_i:n #1 {
+  \tl_set:Nn \l_chemnum_cmpd_sub_one_label_tl { #1 }
+  \tl_clear:N \l_chemnum_cmpd_sub_two_label_tl
+}
+
+\cs_new_nopar:Npn \chemnum_cmpd_sublabelsep_aux_ii:n #1 \q_nil #2 \q_stop {
+  \tl_set:Nn \l_chemnum_cmpd_sub_one_label_tl { #1 }
+  \tl_set:Nn \l_chemnum_cmpd_sub_two_label_tl { #2 }
+}
+
+\cs_if_exist:NF \cs_if_eq:ccF
+  { \cs_generate_variant:Nn \cs_if_eq:NNF { ccF } }
+
+%-----------------------------------------------------------------------------%
+% print compound label
+\cs_new_nopar:Npn \chemnum_cmpd_print:n #1
+  {
+    \tl_if_blank:VF \l_chemnum_cmpd_prefix_tl
+      {
+        \tl_use:N \l_chemnum_cmpd_prefix_tl
+        \tl_use:N \l_chemnum_cmpd_space_tl
+      }
+    \tl_use:N \l_chemnum_cmpd_odelim_tl
+    \chemnum_cmpd_use_style:n { #1 }
+    \tl_use:N \l_chemnum_cmpd_cdelim_tl
+    \tl_if_blank:VF \l_chemnum_cmpd_suffix_tl
+      {
+        \tl_use:N \l_chemnum_cmpd_space_tl
+        \tl_use:N \l_chemnum_cmpd_suffix_tl
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% main internal compound label command 
+% #1: <main label> #2: <sub label> #3: <invisible> #4: <no delim>
+\cs_new_nopar:Npn \chemnum_cmpd_aux_i:nnnn #1#2#3#4 {
+  \bool_if:NT \l_chemnum_cmpd_initiated_bool
+    { \chemnum_cmpd_initiate:nn { #1 } { #2 } }
+  \bool_if:NF \l_chemnum_cmpd_ref_bool
+    { \chemnum_cmpd_declare:n { #1 } }
+  \tl_if_blank:nF { #2 } {
+    \cs_if_exist:cF { g_chemnum_cmpd_#1_int }
+      { \int_new:c { g_chemnum_cmpd_#1_int } }
+    \bool_if:NF \l_chemnum_cmpd_ref_bool
+      { \chemnum_cmpd_sub_declare:nn { #1 } { #2 } }
+  }
+  \bool_if:NTF #3
+    { \mode_if_horizontal:T { \tex_unskip:D } }
+    { 
+      \bool_if:NT #4 {
+        \tl_clear:N \l_chemnum_cmpd_odelim_tl
+        \tl_clear:N \l_chemnum_cmpd_cdelim_tl
+      }
+      \chemnum_cmpd_print:n
+        {
+          \bool_if:NTF \l_chemnum_cmpd_ref_bool
+            { \use:c { chemnum_cmpd_ #1 _ref: } }
+            { \use:c { chemnum_cmpd_ #1 : } }
+          \bool_if:NTF \l_chemnum_cmpd_all_bool
+            {
+              \tl_use:N \l_chemnum_cmpd_separator_tl
+              \use:c { chemnum_cmpd_ #1 _min_ref: }
+              \cs_if_eq:ccF { chemnum_cmpd_ #1 _min_ref: } { chemnum_cmpd_ #1 _max_ref: }
+                {
+                  \tl_use:N \l_chemnum_sub_range_sep_tl
+                  \use:c { chemnum_cmpd_ #1 _max_ref: }
+                }
+            }
+            {
+              \bool_if:NTF \l_chemnum_sublabel_list_bool
+                {
+                  \chemnum_cmpd_sublabel_list:nn { #1 } { \l_chemnum_cmpd_sublabel_list_tl }
+                }
+                {
+                  \tl_if_blank:nF { #2 }
+                    {
+                      \tl_use:N \l_chemnum_cmpd_separator_tl
+                      \bool_if:NTF \l_chemnum_cmpd_ref_bool
+                        { \use:c { chemnum_cmpd_ #1 _ #2 _ref: } }
+                        { \use:c { chemnum_cmpd_ #1 _ #2 : } }
+                    }
+                }
+            }
+        }
+    }  
+}
+
+%-----------------------------------------------------------------------------%
+% create compound label
+% #1: label name #2: star (invisible) #3: minus (no delimiters)
+\cs_new_nopar:Npn \chemnum_cmpd:nnn #1#2#3 {
+  \group_begin:
+    \tl_clear:N \l_chemnum_cmpd_main_label_tl
+    \tl_clear:N \l_chemnum_cmpd_sub_label_tl
+    \chemnum_cmpd_labelsep:n #1 \q_stop
+    \exp_args:Noo \chemnum_cmpd_aux_i:nnnn { \l_chemnum_cmpd_main_label_tl } { \l_chemnum_cmpd_sub_label_tl } { #2 } { #3 }
+  \group_end:
+}
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% DOCUMENT COMMANDS
+% variables:
+\int_new:N \l_chemnum_list_items_int
+\int_new:N \l_chemnum_list_separate_int
+
+\tl_new:N \l_chemnum_list_last_sep_empty_tl
+\tl_set:Nn \l_chemnum_list_last_sep_empty_tl { empty }
+
+\bool_new:N \l_chemnum_cmpd_ref_bool
+
+%-----------------------------------------------------------------------------%
+% MAIN COMMAND
+% \cmpd*+-[<key-value-list>]{<(possibly comma separated list of) compound label(s)>}
+\NewDocumentCommand \cmpd { s t+ t- o m }
+  {
+    \IfBooleanT #2 { \bool_set_true:N \l_chemnum_cmpd_ref_bool }
+    \tl_clear:N \l_chemnum_tmpa_tl
+    \group_begin:
+      \int_zero:N \l_chemnum_list_items_int
+      \int_zero:N \l_chemnum_list_separate_int
+      \IfNoValueF { #4 }
+        { \keys_set:nn { chemnum } { #4 } }
+      \clist_map_variable:nNn { #5 } \l_chemnum_tmpa_tl
+        {
+          \tl_if_blank:VF \l_chemnum_tmpa_tl
+            { \int_incr:N \l_chemnum_list_items_int }
+        }
+      \clist_map_variable:nNn { #5 } \l_chemnum_tmpa_tl
+        {
+          \tl_remove_all:Nn \l_chemnum_tmpa_tl { ~ }
+          \tl_if_blank:VF \l_chemnum_tmpa_tl
+            {
+              \int_incr:N \l_chemnum_list_separate_int
+              \IfBooleanF #1
+                {
+                  \if_int_compare:w \l_chemnum_list_separate_int = 1
+                    \if_int_compare:w \l_chemnum_list_items_int = 1 \else:
+                      \tl_use:N \l_chemnum_list_prefix_tl
+                      \tl_if_blank:VF { \l_chemnum_list_prefix_tl } { \l_chemnum_list_space_tl }
+                      \tl_use:N \l_chemnum_list_odelim_tl
+                    \fi:
+                  \fi:
+                }
+              \IfBooleanTF #1
+                { \exp_args:No \chemnum_cmpd:nnn { \l_chemnum_tmpa_tl } { \BooleanTrue } { \BooleanFalse } }
+                { 
+                  \IfBooleanTF #3
+                    { \exp_args:No \chemnum_cmpd:nnn { \l_chemnum_tmpa_tl } { \BooleanFalse } { \BooleanTrue } }
+                    { \exp_args:No \chemnum_cmpd:nnn { \l_chemnum_tmpa_tl } { \BooleanFalse } { \BooleanFalse } }
+                 \if_int_compare:w \l_chemnum_list_separate_int = \l_chemnum_list_items_int
+                    \if_int_compare:w \l_chemnum_list_items_int = 1 \else:
+                      \tl_use:N \l_chemnum_list_cdelim_tl
+                      \tl_if_blank:VF { \l_chemnum_list_suffix_tl } { \l_chemnum_list_space_tl }
+                      \tl_use:N \l_chemnum_list_suffix_tl
+                    \fi:
+                  \else:
+                    \if_int_compare:w \l_chemnum_list_separate_int = \int_eval:n { \l_chemnum_list_items_int - 1 }
+                      \tl_if_eq:NNTF \l_chemnum_list_last_separator_tl \l_chemnum_list_last_sep_empty_tl
+                        { \tl_use:N \l_chemnum_list_separator_tl \l_chemnum_list_space_tl }
+                        {
+                          \if_int_compare:w \l_chemnum_list_separate_int = 1 \else:
+                            \bool_if:NT \l_chemnum_list_last_sep_US_bool { \l_chemnum_list_separator_tl }
+                          \fi:
+                          \tl_if_blank:VF \l_chemnum_list_last_separator_tl { \l_chemnum_list_space_tl }
+                          \tl_use:N \l_chemnum_list_last_separator_tl \l_chemnum_list_space_tl
+                        }
+                    \else:
+                      \tl_use:N \l_chemnum_list_separator_tl \l_chemnum_list_space_tl
+                    \fi:
+                  \fi:
+                }
+            }
+        }
+    \group_end:
+    \bool_set_false:N \l_chemnum_cmpd_ref_bool
+  }
+
+%-----------------------------------------------------------------------------%
+% INITIALISING LABELS
+\bool_new:N \l_chemnum_cmpd_initiated_bool
+\bool_new:N \l_chemnum_cmpd_init_strict_bool
+\bool_new:N \l_chemnum_cmpd_sub_init_bool
+\bool_new:N \l_chemnum_cmpd_init_declare_bool
+\clist_new:N \l_chemnum_cmpd_init_clist
+
+% property keys for \cmpdinit command
+% strict=true will produce an error instead of a warning
+\keys_define:nn { chemnum / init } {
+  strict   .bool_set:N = \l_chemnum_cmpd_init_strict_bool ,
+  strict   .default:n  = true ,
+  sub-init .bool_set:N = \l_chemnum_cmpd_sub_init_bool ,
+  sub-init .default:n  = true
+}
+
+% warning/error messages
+\msg_set:nnn { chemnum } { cmpd-init }
+  {
+    You~used~\token_to_str:N \cmpdinit \c_space_tl but~didn't~initiate~compound~"#1"~\msg_line_context: .
+  }
+
+\msg_set:nnn { chemnum } { cmpd-sub-init }
+  {
+    You~used~\token_to_str:N \cmpdinit \c_space_tl and~"sub-init~=~true"~but~didn't~initiate~sub-compound~"#1"~\msg_line_context: .
+  }
+
+% initialize (and maybe declare) labels
+\cs_new_nopar:Npn \chemnum_cmpd_init:n #1
+  {
+    \tl_clear:N \l_chemnum_tmpa_tl
+    \tl_set:Nn \l_chemnum_tmpa_tl { #1 }
+    \tl_remove_all:Nn \l_chemnum_tmpa_tl { ~ }
+    \tl_clear:N \l_chemnum_cmpd_main_label_tl
+    \tl_clear:N \l_chemnum_cmpd_sub_label_tl
+    \exp_after:wN \chemnum_cmpd_labelsep:n \l_chemnum_tmpa_tl \q_stop
+    \cs_if_exist:cF { chemnum_cmpd_ \l_chemnum_cmpd_main_label_tl  _init: }
+      {
+        \cs_new_nopar:cpn { chemnum_cmpd_ \l_chemnum_cmpd_main_label_tl _init: } { }
+      }
+    \bool_if:NT \l_chemnum_cmpd_sub_init_bool
+      {
+        \tl_if_blank:VF \l_chemnum_cmpd_sub_label_tl
+          {
+            \cs_if_exist:cF { chemnum_cmpd_ \l_chemnum_cmpd_main_label_tl _ \l_chemnum_cmpd_sub_label_tl _init: }
+              {
+                \cs_new_nopar:cpn { chemnum_cmpd_ \l_chemnum_cmpd_main_label_tl _ \l_chemnum_cmpd_sub_label_tl _init: } { }
+              }
+          }
+      }
+    \bool_if:NT \l_chemnum_cmpd_init_declare_bool
+      {
+        \exp_args:No \chemnum_cmpd:nnn { \l_chemnum_tmpa_tl } { \BooleanTrue } { \BooleanFalse }
+      }
+  }
+
+% \cmpdinit*[strict=<bool>]{<comma separated list of label names>}
+\NewDocumentCommand \cmpdinit { s o m }
+  {
+    \bool_set_false:N \l_chemnum_cmpd_init_strict_bool
+    \bool_set_true:N \l_chemnum_cmpd_initiated_bool
+    \IfBooleanTF #1
+      { \bool_set_false:N \l_chemnum_cmpd_init_declare_bool }
+      { \bool_set_true:N \l_chemnum_cmpd_init_declare_bool }
+    \IfNoValueF { #2 } { \keys_set:nn { chemnum / init } { #2 } }
+    \clist_map_function:nN { #3 } \chemnum_cmpd_init:n
+  }
+
+%-----------------------------------------------------------------------------%
+% RESET LABEL NUMBERS
+% \cmpdreset[<number>]
+\NewDocumentCommand \cmpdreset { o }
+  {
+    \IfNoValueTF { #1 }
+      { \int_zero:N \g_chemnum_cmpd_int }
+      { \int_set:Nn \g_chemnum_cmpd_int { #1 - 1 } }
+  }
+
+%-----------------------------------------------------------------------------%
+% CHEMNUM SETUP COMMAND
+% \cmpdsetup{<key-value-list>}
+\NewDocumentCommand \cmpdsetup { m }
+  { \keys_set:nn { chemnum } { #1 } }
+
+%-----------------------------------------------------------------------------%
+% REPLACE TAG IN EPS PICTURE WITH LABEL
+% works similar to \schemeref command of the chemscheme package
+% \cmpdref-[<keyval>][<tag>]{<label name>}
+\tl_new:N \l_chemnum_cmpdref_tl
+\int_new:N \l_chemnum_cmpdref_int
+\tl_new:N \l_chemnum_cmpdref_marker_tl
+\tl_set:Nn \l_chemnum_cmpdref_marker_tl { TMP }
+
+\keys_define:nn { chemnum }
+  {
+    ref-tag .tl_set:N  = \l_chemnum_cmpdref_marker_tl ,
+    ref-tag .default:n = { TMP }
+  }
+
+\NewDocumentCommand \cmpdref { t- o o m }
+  {
+%     \group_begin:
+      \IfBooleanT { #1 }
+        { \cmpdsetup { cmpd-delim = } }
+%       \IfNoValueF { #2 }
+%         { \keys_set:nn { chemnum } { #2 } }
+      \IfNoValueTF { #3 }
+        {
+          \int_incr:N \l_chemnum_cmpdref_int
+          \tl_set:No \l_chemnum_cmpdref_tl
+            {
+              \tl_use:N \l_chemnum_cmpdref_marker_tl
+              \int_use:N \l_chemnum_cmpdref_int
+            }
+        }
+        {
+          \tl_set:Nn \l_chemnum_cmpdref_tl { #3 }
+        }
+      \IfNoValueTF { #2 }
+        {
+          \psfrag { \l_chemnum_cmpdref_tl } [ b ] [ b ] { \cmpd { #4 } }
+        }
+        {
+          \psfrag { \l_chemnum_cmpdref_tl } [ b ] [ b ] { \cmpd [ #2 ] { #4 } }
+        }
+%     \group_end:
+  }
+
+\tex_endinput:D
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+HISTORY:
+ 2011/06/27 version 0.1
+ 2011/06/29 version 0.1a - bugfixes
+ 2011/07/17 version 0.2  - instead of two commands (\cmpd and \cmpdlist ) only 
+                         one (\cmpd) for both tasks
+                         - setup with a keyval system
+                         - possibility to initiate sublabels
+                         - choices "greek" and "Greek" for the cmpd-counter keys,
+                         choice "symbol" changed to "Symbol"
+                         - package option "textgreek = <value>" to control usage
+                         of the textgreek package
+                         - former \cmpd+ is now \cmpd-
+                         - new \cmpd+ added which reads label from <jobname>.cmpd
+                         - bugfix: wrong declaration in \cmpdinit and \cmpd when
+                         used with line break fixed
+                         - bugfix: error when \cmpd was used in vertical mode fixed
+                         - bugfix: corrected up to date support test
+                         - bugfix: wrong output in \cmpd* list removed
+                         - commented and cleaned up code
+ 2011/08/02 version 0.3  - keys "cmpd-all", "sub-list", "sub-range-sep" and
+                         "sub-range-marker" added, key "cmpd-sub-counter" renamed
+                         into "sub-counter", key "sub-cmpd-sep" renamed into
+                         "sub-marker"
+                         - \cmpdref-[<keyval>][<tag>]{<label name>} added
+                         - key "ref-tag" added
+                         - cleaned up code
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+TODO:
+ - Warnung/Fehler ausgeben, wenn \cmpd*+ oder \cmpd*- verwendet werden?
+ - Bug: wenn als "sub-marker" ":" von einer anderen Datei gesetzt wird, wird der
+   Key nicht erkannt -> catcode Problem: entweder temporär catcode von ":"
+   wieder auf 12 setzen oder den Marker prinzipiell auf 11?
+ - einen Key "hide-main" oder "sub-only" hinzufügen?
+ - Bug: Key "cmpd-style" wenn zB \color{<farbe>} eingegeben: Fehler beim Test
+   auf Makro; Test entfernen?
\ No newline at end of file