chemnum (2dec11)

git-svn-id: svn://tug.org/texlive/trunk@24724 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 259 insertions, 141 deletions

diff --git a/Master/texmf-dist/tex/latex/chemnum/chemnum.sty b/Master/texmf-dist/tex/latex/chemnum/chemnum.sty
index f543c8c883c..e14348008b3 100644
--- a/Master/texmf-dist/tex/latex/chemnum/chemnum.sty
+++ b/Master/texmf-dist/tex/latex/chemnum/chemnum.sty
@@ -1,9 +1,9 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % - chemnum - chemnum.sty                                                   - %
-% - a comprehensive numbering method for chemical compounds                 - %
+% - a comprehensive approach for the numbering of chemical compounds        - %
 % --------------------------------------------------------------------------- %
 % - Clemens NIEDERBERGER                                                    - %
-% - 2011/11/08                                                              - %
+% - 2011/12/01                                                              - %
 % --------------------------------------------------------------------------- %
 % - http://www.mychemistry.eu/                                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -26,12 +26,13 @@
 % - 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             - %
+% - chemnum_doc_en.tex, chemnum-codehelper.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 }
+\RequirePackage { expl3 , xparse , l3keys2e , etoolbox , psfrag }
 
-\ProvidesExplPackage {chemnum} {2011/11/08} {0.3c} {Numbering chemical compounds}
+\ProvidesExplPackage {chemnum} {2011/12/01} {0.3e} {Numbering chemical compounds}
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % CHECK FOR SUPPORT
@@ -79,39 +80,34 @@
 
 % warning, if textgreek has already been loaded AND option
 % "textgreek = <value>" is used
-\msg_set:nnnn { chemnum } { package-loaded }
-  { Package~#1~already~loaded. }
+\msg_set:nnnn { chemnum } { textgreek-loaded }
   {
-    The~package~#1~has~already~been~loaded. \\
-    \tl_if_blank:nF { #2 } { Option~#2~will~not~be~used. }
+    The~package~textgreek~has~already~been~loaded. \\
+    \tl_if_blank:nF { #1 } { Option~#1~will~not~be~used. }
+  }
+  {
+    The~package~textgreek~has~already~been~loaded. \\
+    \tl_if_blank:nF { #1 } { Option~#1~will~not~be~used. }
   }
 
 % textgreek support and package options:
 \bool_new:N \l_chemnum_textgreek_bool
+\bool_set_false:N \l_chemnum_textgreek_bool
 
-\cs_new:Npn \chemnum_load_package:nn #1#2
+\cs_new_nopar:Npn \chemnum_load_textgreek:n #1
   {
-    \bool_if:cT { l_chemnum_#2_bool }
+    \AtEndPreamble
       {
-        \AtEndPreamble
+        \exp_args:No \file_if_exist:nTF { textgreek . sty }
           {
-            \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 }
-              }
+            \@ifpackageloaded { textgreek }
+              { \msg_warning:nnx { chemnum } { textgreek-loaded } { #1 } }
+              { \RequirePackage [ #1 ] { textgreek } }
+            \bool_set_true:N \l_chemnum_textgreek_bool
+          }
+          {
+            \msg_warning:nnx { chemnum } { support-missing } { textgreek }
+            \bool_set_false:N \l_chemnum_textgreek_bool
           }
       }
   }
@@ -121,37 +117,126 @@
 
 \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
+  textgreek / artemisia .code:n     = \chemnum_load_textgreek:n { #1 } ,
+  textgreek / cbgreek   .code:n     = \chemnum_load_textgreek:n { #1 } ,
+  textgreek / euler     .code:n     = \chemnum_load_textgreek:n { #1 } ,
+  textgreek / false     .code:n     =
+    { \bool_set_false:N \l_chemnum_textgreek_bool } ,
+  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 }
+\ProcessKeysOptions { chemnum / package }
+
+\AtBeginDocument{
+\bool_if:NTF \l_chemnum_textgreek_bool
   {
-    \bool_set_true:N \l_chemnum_textgreek_bool
-    \chemnum_package_options:n { textgreek = cbgreek }
+    \cs_new_eq:NN \chemnum_alpha   \textalpha
+    \cs_new_eq:NN \chemnum_beta    \textbeta
+    \cs_new_eq:NN \chemnum_gamma   \textgamma
+    \cs_new_eq:NN \chemnum_delta   \textdelta
+    \cs_new_eq:NN \chemnum_epsilon \textepsilon
+    \cs_new_eq:NN \chemnum_zeta    \textzeta
+    \cs_new_eq:NN \chemnum_eta     \texteta
+    \cs_new_eq:NN \chemnum_theta   \texttheta
+    \cs_new_eq:NN \chemnum_iota    \textiota
+    \cs_new_eq:NN \chemnum_kappa   \textkappa
+    \cs_new_eq:NN \chemnum_lambda  \textlambda
+    \cs_new_eq:NN \chemnum_mu      \textmugreek
+    \cs_new_eq:NN \chemnum_nu      \textnu
+    \cs_new_eq:NN \chemnum_xi      \textxi
+    \cs_new_eq:NN \chemnum_omikron \textomikron
+    \cs_new_eq:NN \chemnum_pi      \textpi
+    \cs_new_eq:NN \chemnum_rho     \textrho
+    \cs_new_eq:NN \chemnum_sigma   \textsigma
+    \cs_new_eq:NN \chemnum_tau     \texttau
+    \cs_new_eq:NN \chemnum_upsilon \textupsilon
+    \cs_new_eq:NN \chemnum_phi     \textphi
+    \cs_new_eq:NN \chemnum_chi     \textchi
+    \cs_new_eq:NN \chemnum_psi     \textpsi
+    \cs_new_eq:NN \chemnum_omega   \textomega
+    \cs_new_eq:NN \chemnum_Alpha   \textAlpha
+    \cs_new_eq:NN \chemnum_Beta    \textBeta
+    \cs_new_eq:NN \chemnum_Gamma   \textGamma
+    \cs_new_eq:NN \chemnum_Delta   \textDelta
+    \cs_new_eq:NN \chemnum_Epsilon \textEpsilon
+    \cs_new_eq:NN \chemnum_Zeta    \textZeta
+    \cs_new_eq:NN \chemnum_Eta     \textEta
+    \cs_new_eq:NN \chemnum_Theta   \textTheta
+    \cs_new_eq:NN \chemnum_Iota    \textIota
+    \cs_new_eq:NN \chemnum_Kappa   \textKappa
+    \cs_new_eq:NN \chemnum_Lambda  \textLambda
+    \cs_new_eq:NN \chemnum_Mu      \textMugreek
+    \cs_new_eq:NN \chemnum_Nu      \textNu
+    \cs_new_eq:NN \chemnum_Xi      \textXi
+    \cs_new_eq:NN \chemnum_Omikron \textOmikron
+    \cs_new_eq:NN \chemnum_Pi      \textPi
+    \cs_new_eq:NN \chemnum_Rho     \textRho
+    \cs_new_eq:NN \chemnum_Sigma   \textSigma
+    \cs_new_eq:NN \chemnum_Tau     \textTau
+    \cs_new_eq:NN \chemnum_Upsilon \textUpsilon
+    \cs_new_eq:NN \chemnum_Phi     \textPhi
+    \cs_new_eq:NN \chemnum_Chi     \textChi
+    \cs_new_eq:NN \chemnum_Psi     \textPsi
+    \cs_new_eq:NN \chemnum_Omega   \textOmega
   }
-\DeclareOption { textgreek = euler }
   {
-    \bool_set_true:N \l_chemnum_textgreek_bool
-    \chemnum_package_options:n { textgreek = euler }
+    \RequirePackage { bm }% abhängig machen von textoption bold
+    \cs_new_nopar:Npn \chemnum_bm:n #1
+      {
+        \bool_if:NTF \l_chemnum_cmpd_bold_bool
+          { \bm { #1 } }
+          { #1 }
+      }
+    \cs_new_nopar:Npn \chemnum_alpha   { \ensuremath { \chemnum_bm:n { \mathrm { \alpha } } } }
+    \cs_new_nopar:Npn \chemnum_beta    { \ensuremath { \chemnum_bm:n { \mathrm { \beta } } } }
+    \cs_new_nopar:Npn \chemnum_gamma   { \ensuremath { \chemnum_bm:n { \mathrm { \gamma } } } }
+    \cs_new_nopar:Npn \chemnum_delta   { \ensuremath { \chemnum_bm:n { \mathrm { \delta } } } }
+    \cs_new_nopar:Npn \chemnum_epsilon { \ensuremath { \chemnum_bm:n { \mathrm { \varepsilon } } } }
+    \cs_new_nopar:Npn \chemnum_zeta    { \ensuremath { \chemnum_bm:n { \mathrm { \zeta } } } }
+    \cs_new_nopar:Npn \chemnum_eta     { \ensuremath { \chemnum_bm:n { \mathrm { \eta } } } }
+    \cs_new_nopar:Npn \chemnum_theta   { \ensuremath { \chemnum_bm:n { \mathrm { \theta } } } }
+    \cs_new_nopar:Npn \chemnum_iota    { \ensuremath { \chemnum_bm:n { \mathrm { \iota } } } }
+    \cs_new_nopar:Npn \chemnum_kappa   { \ensuremath { \chemnum_bm:n { \mathrm { \kappa } } } }
+    \cs_new_nopar:Npn \chemnum_lambda  { \ensuremath { \chemnum_bm:n { \mathrm { \lampda } } } }
+    \cs_new_nopar:Npn \chemnum_mu      { \ensuremath { \chemnum_bm:n { \mathrm { \mu } } } }
+    \cs_new_nopar:Npn \chemnum_nu      { \ensuremath { \chemnum_bm:n { \mathrm { \nu } } } }
+    \cs_new_nopar:Npn \chemnum_xi      { \ensuremath { \chemnum_bm:n { \mathrm { \xi } } } }
+    \cs_new_nopar:Npn \chemnum_omikron { \ensuremath { \chemnum_bm:n { \mathrm { o } } } }
+    \cs_new_nopar:Npn \chemnum_pi      { \ensuremath { \chemnum_bm:n { \mathrm { \pi } } } }
+    \cs_new_nopar:Npn \chemnum_rho     { \ensuremath { \chemnum_bm:n { \mathrm { \rho } } } }
+    \cs_new_nopar:Npn \chemnum_sigma   { \ensuremath { \chemnum_bm:n { \mathrm { \sigma } } } }
+    \cs_new_nopar:Npn \chemnum_tau     { \ensuremath { \chemnum_bm:n { \mathrm { \tau } } } }
+    \cs_new_nopar:Npn \chemnum_upsilon { \ensuremath { \chemnum_bm:n { \mathrm { \upsilon } } } }
+    \cs_new_nopar:Npn \chemnum_phi     { \ensuremath { \chemnum_bm:n { \mathrm { \varphi } } } }
+    \cs_new_nopar:Npn \chemnum_chi     { \ensuremath { \chemnum_bm:n { \mathrm { \chi } } } }
+    \cs_new_nopar:Npn \chemnum_psi     { \ensuremath { \chemnum_bm:n { \mathrm { \psi } } } }
+    \cs_new_nopar:Npn \chemnum_omega   { \ensuremath { \chemnum_bm:n { \mathrm { \omega } } } }
+    \cs_new_nopar:Npn \chemnum_Alpha   { \ensuremath { \chemnum_bm:n { \mathrm { A } } } }
+    \cs_new_nopar:Npn \chemnum_Beta    { \ensuremath { \chemnum_bm:n { \mathrm { B } } } }
+    \cs_new_nopar:Npn \chemnum_Gamma   { \ensuremath { \chemnum_bm:n { \mathrm { \Gamma } } } }
+    \cs_new_nopar:Npn \chemnum_Delta   { \ensuremath { \chemnum_bm:n { \mathrm { \Delta } } } }
+    \cs_new_nopar:Npn \chemnum_Epsilon { \ensuremath { \chemnum_bm:n { \mathrm { E } } } }
+    \cs_new_nopar:Npn \chemnum_Zeta    { \ensuremath { \chemnum_bm:n { \mathrm { Z } } } }
+    \cs_new_nopar:Npn \chemnum_Eta     { \ensuremath { \chemnum_bm:n { \mathrm { H } } } }
+    \cs_new_nopar:Npn \chemnum_Theta   { \ensuremath { \chemnum_bm:n { \mathrm { \Theta } } } }
+    \cs_new_nopar:Npn \chemnum_Iota    { \ensuremath { \chemnum_bm:n { \mathrm { I } } } }
+    \cs_new_nopar:Npn \chemnum_Kappa   { \ensuremath { \chemnum_bm:n { \mathrm { K } } } }
+    \cs_new_nopar:Npn \chemnum_Lambda  { \ensuremath { \chemnum_bm:n { \mathrm { \Lambda } } } }
+    \cs_new_nopar:Npn \chemnum_Mu      { \ensuremath { \chemnum_bm:n { \mathrm { M } } } }
+    \cs_new_nopar:Npn \chemnum_Nu      { \ensuremath { \chemnum_bm:n { \mathrm { N } } } }
+    \cs_new_nopar:Npn \chemnum_Xi      { \ensuremath { \chemnum_bm:n { \mathrm { \Xi } } } }
+    \cs_new_nopar:Npn \chemnum_Omikron { \ensuremath { \chemnum_bm:n { \mathrm { O } } } }
+    \cs_new_nopar:Npn \chemnum_Pi      { \ensuremath { \chemnum_bm:n { \mathrm { \Pi } } } }
+    \cs_new_nopar:Npn \chemnum_Rho     { \ensuremath { \chemnum_bm:n { \mathrm { P } } } }
+    \cs_new_nopar:Npn \chemnum_Sigma   { \ensuremath { \chemnum_bm:n { \mathrm { \Sigma } } } }
+    \cs_new_nopar:Npn \chemnum_Tau     { \ensuremath { \chemnum_bm:n { \mathrm { T } } } }
+    \cs_new_nopar:Npn \chemnum_Upsilon { \ensuremath { \chemnum_bm:n { \mathrm { \Upsilon } } } }
+    \cs_new_nopar:Npn \chemnum_Phi     { \ensuremath { \chemnum_bm:n { \mathrm { \Phi } } } }
+    \cs_new_nopar:Npn \chemnum_Chi     { \ensuremath { \chemnum_bm:n { \mathrm { X } } } }
+    \cs_new_nopar:Npn \chemnum_Psi     { \ensuremath { \chemnum_bm:n { \mathrm { \Psi } } } }
+    \cs_new_nopar:Npn \chemnum_Omega   { \ensuremath { \chemnum_bm:n { \mathrm { \Omega } } } }
   }
-\DeclareOption { textgreek = false }
-  { \bool_set_false:N \l_chemnum_textgreek_bool }
-
-\ExecuteOptions { textgreek }
-\ProcessOptions \scan_stop:
+}
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TOOLS
@@ -166,7 +251,7 @@
 % 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 } }
+  { \clist_gput_right:Nn \g_chemnum_cmpd_save_clist { { #1 } } }
 
 \msg_set:nnn { chemnum } { missing-cmpd-file }
   {
@@ -217,7 +302,7 @@
 \bool_new:N \l_chemnum_cmpd_style_is_macro_bool
 
 % default style
-\cs_new_nopar:Npn \chemnum_cmpd_style_value:n { \bfseries }
+\cs_new_nopar:Npn \chemnum_cmpd_style_value:n {  }
 
 % error message
 \msg_set:nnn { chemnum } { cmpd-style } { The~value~of~"cmpd-style~=~<style>"~needs~to~be~a~(or~more)~macro~\msg_line_context: . }
@@ -238,8 +323,17 @@
 %   }
 
 % use style
+\bool_new:N \l_chemnum_cmpd_bold_bool
+\bool_set_true:N \l_chemnum_cmpd_bold_bool
+
 \cs_new_nopar:Npn \chemnum_cmpd_use_style:n #1
-  { \group_begin: \chemnum_cmpd_style_value:n { #1 } \group_end: }
+  {
+    \group_begin:
+      \bool_if:NT \l_chemnum_cmpd_bold_bool
+        { \bfseries }
+      \chemnum_cmpd_style_value:n { #1 }
+    \group_end:
+  }
 
 %-----------------------------------------------------------------------------%
 % prefix, suffix, delimiters, format and separator of compound label
@@ -289,7 +383,7 @@
 
 % 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:w int_to_ #1 :n \cs_end: #2 }
 \cs_generate_variant:Nn \chemnum_cmpd_sub_kind:nn { Nc }
 
 % default format
@@ -300,42 +394,42 @@
 % 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
-  {
+% \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 }
+            {  1 } { \exp_not:o \chemnum_alpha }
+            {  2 } { \exp_not:o \chemnum_beta }
+            {  3 } { \exp_not:o \chemnum_gamma }
+            {  4 } { \exp_not:o \chemnum_delta }
+            {  5 } { \exp_not:o \chemnum_epsilon }
+            {  6 } { \exp_not:o \chemnum_zeta }
+            {  7 } { \exp_not:o \chemnum_eta }
+            {  8 } { \exp_not:o \chemnum_theta }
+            {  9 } { \exp_not:o \chemnum_iota }
+            { 10 } { \exp_not:o \chemnum_kappa }
+            { 11 } { \exp_not:o \chemnum_lambda }
+            { 12 } { \exp_not:o \chemnum_mu }
+            { 13 } { \exp_not:o \chemnum_nu }
+            { 14 } { \exp_not:o \chemnum_xi }
+            { 15 } { \exp_not:o \chemnum_omikron }
+            { 16 } { \exp_not:o \chemnum_pi }
+            { 17 } { \exp_not:o \chemnum_rho }
+            { 18 } { \exp_not:o \chemnum_sigma }
+            { 19 } { \exp_not:o \chemnum_tau }
+            { 20 } { \exp_not:o \chemnum_upsilon }
+            { 21 } { \exp_not:o \chemnum_phi }
+            { 22 } { \exp_not:o \chemnum_chi }
+            { 23 } { \exp_not:o \chemnum_psi }
+            { 24 } { \exp_not:o \chemnum_omega }
           }
       }
-  }
-  {
-    \cs_set_eq:NN \int_to_greek:n \int_to_alph:n
-  }
+%   }
+%   {
+%     \cs_set_eq:NN \int_to_greek:n \int_to_alph:n
+%   }
 
 % define \int_to_Greek function
 \cs_new:Npn \int_to_Greek:n { }
@@ -345,30 +439,30 @@
       {
         \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 }
+            {  1 } { \exp_not:o \chemnum_Alpha }
+            {  2 } { \exp_not:o \chemnum_Beta }
+            {  3 } { \exp_not:o \chemnum_Gamma }
+            {  4 } { \exp_not:o \chemnum_Delta }
+            {  5 } { \exp_not:o \chemnum_Epsilon }
+            {  6 } { \exp_not:o \chemnum_Zeta }
+            {  7 } { \exp_not:o \chemnum_Eta }
+            {  8 } { \exp_not:o \chemnum_Theta }
+            {  9 } { \exp_not:o \chemnum_Iota }
+            { 10 } { \exp_not:o \chemnum_Kappa }
+            { 11 } { \exp_not:o \chemnum_Lambda }
+            { 12 } { \exp_not:o \chemnum_Mu }
+            { 13 } { \exp_not:o \chemnum_Nu }
+            { 14 } { \exp_not:o \chemnum_Xi }
+            { 15 } { \exp_not:o \chemnum_Omikron }
+            { 16 } { \exp_not:o \chemnum_Pi }
+            { 17 } { \exp_not:o \chemnum_Rho }
+            { 18 } { \exp_not:o \chemnum_Sigma }
+            { 19 } { \exp_not:o \chemnum_Tau }
+            { 20 } { \exp_not:o \chemnum_Upsilon }
+            { 21 } { \exp_not:o \chemnum_Phi }
+            { 22 } { \exp_not:o \chemnum_Chi }
+            { 23 } { \exp_not:o \chemnum_Psi }
+            { 24 } { \exp_not:o \chemnum_Omega }
           }
       }
   }
@@ -451,7 +545,7 @@
 % \catcode 58 = 11 \relax
 
 \tl_new:N \l_chemnum_sub_range_sep_tl
-\tl_set:Nn \l_chemnum_sub_range_sep_tl { - }
+\tl_set:Nn \l_chemnum_sub_range_sep_tl { -- }
 
 \bool_new:N \l_chemnum_sub_label_only_bool
 \bool_set_false:N \l_chemnum_sub_label_only_bool
@@ -460,7 +554,9 @@
 % property keys for compounds
 \keys_define:nn { chemnum } {
   cmpd-style         .code:n             = \chemnum_cmpd_set_style:n { #1 } ,
-  cmpd-style         .default:n          = \textbf ,
+  cmpd-weight        .choice: ,
+  cmpd-weight / bold .code:n             = \bool_set_true:N \l_chemnum_cmpd_bold_bool ,
+  cmpd-weight / normal .code:n           = \bool_set_false:N \l_chemnum_cmpd_bold_bool ,
   cmpd-label         .code:n             =
     {
       \bool_set_true:N \l_chemnum_cmpd_name_bool
@@ -500,7 +596,7 @@
     \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-range-sep      .default:n          = { -- } ,
   sub-list           .code:n             =
     {
       \tl_set:Nn \l_chemnum_cmpd_sublabel_list_tl { #1 }
@@ -512,9 +608,11 @@
 
 %-----------------------------------------------------------------------------%
 % list separators, delimiters, prefix and suffix
-\bool_new:N \l_chemnum_serial_comma_bool
-\bool_set_true:N \l_chemnum_serial_comma_bool
+\bool_new:N \l_chemnum_no_serial_comma_bool
+\bool_set_false:N \l_chemnum_no_serial_comma_bool
 
+\tl_new:N \l_chemnum_input_separator_tl
+\tl_set:Nn \l_chemnum_input_separator_tl { , }
 
 \tl_new:N \l_chemnum_list_separator_tl
 \tl_set:Nn \l_chemnum_list_separator_tl { , }
@@ -565,41 +663,45 @@
   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-input-sep     .tl_set:N   = \l_chemnum_input_separator_tl ,
+  list-input-sep     .default:n  = { , } ,
+  list-output-sep    .tl_set:N   = \l_chemnum_list_separator_tl ,
+  list-output-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-serial-comma  .bool_set:N = \l_chemnum_serial_comma_bool ,
+  list-serial-comma  .choice: ,
+  list-serial-comma / true .code:n = \bool_set_false:N \l_chemnum_no_serial_comma_bool ,
+  list-serial-comma / false .code:n = \bool_set_true:N \l_chemnum_no_serial_comma_bool ,
   list-serial-comma  .default:n  = true ,
   list-lang          .choice: ,
   list-lang / US     .code:n     =
     {
-      \bool_set_true:N \l_chemnum_serial_comma_bool
+      \bool_set_false:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { and }
     } ,
   list-lang / GB     .code:n     =
     {
-      \bool_set_false:N \l_chemnum_serial_comma_bool
+      \bool_set_true:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { and }
     } ,
   list-lang / DE     .code:n     =
     {
-      \bool_set_false:N \l_chemnum_serial_comma_bool
+      \bool_set_true:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { und }
     } ,
   list-lang / FR     .code:n     =
     {
-      \bool_set_false:N \l_chemnum_serial_comma_bool
+      \bool_set_true:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { et }
     } ,
   list-lang / IT     .code:n     =
     {
-      \bool_set_false:N \l_chemnum_serial_comma_bool
+      \bool_set_true:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { e }
     } ,
   list-lang / ES     .code:n     =
     {
-      \bool_set_false:N \l_chemnum_serial_comma_bool
+      \bool_set_true:N \l_chemnum_no_serial_comma_bool
       \tl_set:Nn \l_chemnum_list_last_separator_lang_tl { y }
     } ,
   list-lang          .default:n  = US
@@ -637,7 +739,9 @@
         \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: }
+        % why is the next line working when \cs_gset_nopar:cpx doesn't?
+        % (in case ":" is part of #1)
+        \exp_after:wN \cs_gset_nopar:Npx \cs:w chemnum_cmpd_#1_#2: \cs_end:
           {
             \chemnum_cmpd_sub_kind:Nc
               \l_chemnum_cmpd_sub_kind_value_tl
@@ -901,6 +1005,10 @@
 % MAIN COMMAND
 % \cmpd*+-[<key-value-list>]{<(possibly comma separated list of) compound
 % label(s)>}
+\NewDocumentCommand \chemnum_input_separator:n
+  { > { \exp_args:No \SplitList { \l_chemnum_input_separator_tl } } m }
+  { \tl_set:Nn \l_tmpa_tl { #1 } }
+
 \NewDocumentCommand \cmpd { s t+ t- o m }
   {
     \IfBooleanT #2
@@ -915,12 +1023,13 @@
       \int_zero:N \l_chemnum_list_separate_int
       \IfNoValueF { #4 }
         { \keys_set:nn { chemnum } { #4 } }
-      \clist_map_variable:nNn { #5 } \l_chemnum_tmpa_tl
+      \chemnum_input_separator:n { #5 }
+      \tl_map_variable:NNn \l_tmpa_tl \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_map_variable:NNn \l_tmpa_tl \l_chemnum_tmpa_tl
         {
           \tl_remove_all:Nn \l_chemnum_tmpa_tl { ~ }
           \tl_if_blank:VF \l_chemnum_tmpa_tl
@@ -990,7 +1099,7 @@
                             {
                               \int_compare:nNnF { \l_chemnum_list_separate_int } = { 1 }
                                 {
-                                  \bool_if:NT \l_chemnum_serial_comma_bool
+                                  \bool_if:NF \l_chemnum_no_serial_comma_bool
                                     { \l_chemnum_list_separator_tl }
                                 }
                               \tl_if_blank:VF \l_chemnum_list_last_separator_tl
@@ -1099,7 +1208,8 @@
       { \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
+    \chemnum_input_separator:n { #3 }
+    \tl_map_function:NN \l_tmpa_tl \chemnum_cmpd_init:n
   }
 
 %-----------------------------------------------------------------------------%
@@ -1197,15 +1307,15 @@
     \@ifpackageloaded { babel }
       {
         \iflanguage { american }
-          { \bool_set_true:N \l_chemnum_serial_comma_bool }
-          { \bool_set_false:N \l_chemnum_serial_comma_bool }
+          { \bool_set_false:N \l_chemnum_no_serial_comma_bool }
+          { \bool_set_true:N \l_chemnum_no_serial_comma_bool }
         \cs_new_eq:NN \chemnum_selectlanguage:n \selectlanguage
         \cs_set_nopar:Npn \selectlanguage #1
           {
             \chemnum_selectlanguage:n { #1 }
             \iflanguage { american }
-              { \bool_set_true:N \l_chemnum_serial_comma_bool }
-              { \bool_set_false:N \l_chemnum_serial_comma_bool }
+              { \bool_set_false:N \l_chemnum_no_serial_comma_bool }
+              { \bool_set_true:N \l_chemnum_no_serial_comma_bool }
           }
       }
       {}
@@ -1252,14 +1362,22 @@ HISTORY:
                          http://www.arkat-usa.org/get-file/29257/ or scheme 4
                          at http://www.arkat-usa.org/get-file/27301/ for
                          reasons, why
- 2011/11/08 version 0.3c - localization via babel is now supported with the help
-                         of the translator package
+ 2011/11/08 version 0.3c - localization via babel is now supported with the
+                         help of the translator package
                          - key "list-serial-comma" added
+ 2011/12/01 version 0.3d - greek letters without textgreek package
+                         - new key cmpd-weight = bold/normal
+                         - bugfix: sublabels are now possible, when main label
+                         name contains a colon
+                         - it is now possible to change the list input
+                         separator; this means the comma may be part of the
+                         label name
+ 2011/12/01 version 0.3e - bugfix: labels have been saved in a wrong way, when
+                         list-input-sep had been changed. this is fixed
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % TODO:
- - 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?
+ - natürliche Unterstützung für hyperref
+ - polyglossia: localization of us-variant of english
  - alphabetische Sortierung für sub-list
  - Bug: Key "cmpd-style" wenn zB \color{<farbe>} eingegeben: Fehler beim Test
    auf Makro; Test entfernen?