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authorNorbert Preining <norbert@preining.info>2019-09-02 13:46:59 +0900
committerNorbert Preining <norbert@preining.info>2019-09-02 13:46:59 +0900
commite0c6872cf40896c7be36b11dcc744620f10adf1d (patch)
tree60335e10d2f4354b0674ec22d7b53f0f8abee672 /macros/latex/contrib/chemnum
Initial commit
Diffstat (limited to 'macros/latex/contrib/chemnum')
-rw-r--r--macros/latex/contrib/chemnum/README36
-rw-r--r--macros/latex/contrib/chemnum/chemnum.sty2011
-rw-r--r--macros/latex/contrib/chemnum/chemnum_en.pdfbin0 -> 550888 bytes
-rw-r--r--macros/latex/contrib/chemnum/chemnum_en.tex1178
-rw-r--r--macros/latex/contrib/chemnum/scheme-bla.ps5690
-rw-r--r--macros/latex/contrib/chemnum/scheme-tmp.ps5685
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diff --git a/macros/latex/contrib/chemnum/README b/macros/latex/contrib/chemnum/README
new file mode 100644
index 0000000000..ddfa8b2331
--- /dev/null
+++ b/macros/latex/contrib/chemnum/README
@@ -0,0 +1,36 @@
+--------------------------------------------------------------------------
+chemnum v1.2 2016/04/14
+
+ a comprehensive approach for the numbering of chemical compounds
+
+--------------------------------------------------------------------------
+Clemens Niederberger
+Web:
+ v0.* https://bitbucket.org/cgnieder/chemnum/
+ v1.* https://github.com/cgnieder/chemnum
+E-Mail: contact@mychemistry.eu
+--------------------------------------------------------------------------
+Copyright 2011-2016 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.
+--------------------------------------------------------------------------
+If you have any ideas, questions, suggestions or bugs to report,
+please feel free to contact me.
+--------------------------------------------------------------------------
+This work consists of the files
+- chemnum.sty,
+- chemnum_en.tex, chemnum_en.pdf
+- README
+--------------------------------------------------------------------------
+Version 1 is a complete re-write from scratch of the `chemnum' package.
+--------------------------------------------------------------------------
diff --git a/macros/latex/contrib/chemnum/chemnum.sty b/macros/latex/contrib/chemnum/chemnum.sty
new file mode 100644
index 0000000000..659378bf72
--- /dev/null
+++ b/macros/latex/contrib/chemnum/chemnum.sty
@@ -0,0 +1,2011 @@
+% --------------------------------------------------------------------------
+% the CHEMNUM package
+%
+% a comprehensive approach for the numbering of chemical compounds
+%
+% --------------------------------------------------------------------------
+% Clemens Niederberger
+% --------------------------------------------------------------------------
+% https://github.org/cgnieder/chemnum/
+% contact@mychemistry.eu
+% --------------------------------------------------------------------------
+% If you have any ideas, questions, suggestions or bugs to report, please
+% feel free to contact me.
+% --------------------------------------------------------------------------
+% Copyright 2011-2016 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.
+% --------------------------------------------------------------------------
+\def\chemnumdate{2016/04/14}
+\def\chemnumversion{1.2}
+\def\chemnuminfo{a comprehensive approach for the numbering of chemical compounds}
+
+\RequirePackage{expl3}[2016/03/28]
+\RequirePackage{xparse,l3keys2e}
+
+% ----------------------------------------------------------------------------
+% provide the package:
+\ProvidesExplPackage{chemnum}
+ {\chemnumdate}
+ {\chemnumversion}
+ {\chemnuminfo\space (CN)}
+
+% ----------------------------------------------------------------------------
+% required packages:
+% language support:
+\RequirePackage{translations}[2015/11/07]
+% greek alphabet for the labels matching to chemmacros' selection:
+\RequirePackage{chemgreek}[2016/02/10]
+\RequirePackage{psfrag}
+
+% ----------------------------------------------------------------------------
+% messages:
+\msg_new:nnn {chemnum} {missing-label}
+ { The~ key~ `#1'~ has~ no~ label~ associated~ \msg_line_context: }
+
+\msg_new:nnn {chemnum} {erroneous-argument-combination}
+ {
+ Apparently~ you've~ used~ both~ the~ `*'~ and~ the~ `+'~
+ argument.~ This~ does~ not~ make~ sense.~ I'm~ doing~
+ nothing~ \msg_line_context:
+ }
+
+\msg_new:nnn {chemnum} {unknown-counter-format}
+ {
+ I~ do~ not~ know~ the~ counter~ format~ `#1'.~ I'll~ use~ `arabic'~
+ instead~ \msg_line_context:
+ }
+
+\msg_new:nnn {chemnum} {compound-not-initiated}
+ { The~ compound~ `#1'~ has~ not~ been~ initiated~ \msg_line_context: }
+
+\msg_new:nnn {chemnum} {subcompound-not-initiated}
+ {
+ The~ compound~ `#1\l__chemnum_compound_separator_tl #2'~ has~ not~ been~
+ initiated~ \msg_line_context:
+ }
+
+\msg_new:nnn {chemnum} {log-compound-silent}
+ {
+ ................................................. \\
+ . ~ \msg_info_text:n {chemnum}: ~
+ defined~ new~ compound~ `#1'~with~output~
+ `\chemnum_expandable_get_compound_property:nn {#1}
+ {counter-representation}' . \\
+ .................................................
+ }
+
+\msg_new:nnn {chemnum} {log-compound-verbose}
+ {
+ ................................................. \\
+ . ~ \msg_info_text:n {chemnum}: ~ defined~ new~ compound: \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ ID ~=~ #1 \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ internal~ number ~=~
+ \chemnum_expandable_get_compound_property:nn {#1} {number} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ label ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {counter-representation} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ pre~ label~ code ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {pre-label-code} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ post~ label~ code ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {post-label-code} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ pre~ main~ label~ code ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {pre-main-label-code} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ post~ main~ label~ code ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {post-main-label-code} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ format ~=~
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {label-format} \\
+ .................................................
+ }
+
+\msg_new:nnn {chemnum} {log-subcompound-silent}
+ {
+ ................................................. \\
+ . ~ \msg_info_text:n {chemnum}: ~
+ defined~ new~ subcompound~ `#2'~ with~ output~
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {counter-representation} \\
+ . ~ belonging~ to~ the~ main~ compound~ `#1'. \\
+ .................................................
+ }
+
+\msg_new:nnn {chemnum} {log-subcompound-verbose}
+ {
+ ................................................. \\
+ . ~ \msg_info_text:n {chemnum}: ~ defined~ new~ subcompound: \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ ID ~=~ #2 \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ main~ compound~ ID ~=~
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {main-compound} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ internal~ number ~=~
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2} {number} \\
+ . \c_space_tl \c_space_tl \c_space_tl
+ label ~=~
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {counter-representation} \\
+ .................................................
+ }
+
+\msg_new:nnn {chemnum} {deprecated-command}
+ {
+ The~ command~ `\token_to_str:N #1'~ \msg_line_context: \c_space_tl is~
+ deprecated.~ Use~ `\token_to_str:N #2'~ instead.~ `\token_to_str:N #1'~
+ may~ be~ removed~ in~ future~ versions.
+ }
+
+\msg_new:nnn {chemnum} {property-undefined}
+ {
+ The~ property~ `#2'~ for~ compound~ `#1'~ is~ undefined~ and~ thus~
+ cannot~ be~ set~ \msg_line_context:
+ }
+
+% ----------------------------------------------------------------------------
+% deprecated command names:
+% #1: old name
+% #2: new name
+\cs_new_protected:Npn \chemnum_deprecated_command:NN #1#2
+ {
+ \cs_new_protected:Npn #1
+ {
+ \msg_warning:nnnn {chemnum} {deprecated-command} {#1} {#2}
+ #2
+ }
+ }
+
+\chemnum_deprecated_command:NN \cmpdsetup \setchemnum
+\chemnum_deprecated_command:NN \cmpdinit \initcmpd
+\chemnum_deprecated_command:NN \cmpdref \replacecmpd
+\chemnum_deprecated_command:NN \cmpdreset \resetcmpd
+
+% ----------------------------------------------------------------------------
+% variants of kernel functions:
+\cs_generate_variant:Nn \prop_gput:Nnn { Nnx , cnx , cnV }
+\cs_generate_variant:Nn \prop_put:Nnn { NV , NVV , NVx }
+\cs_generate_variant:Nn \prop_if_in:NnTF { NV }
+\cs_generate_variant:Nn \quark_if_no_value:nTF { V }
+\cs_generate_variant:Nn \quark_if_no_value:nF { V }
+\cs_generate_variant:Nn \seq_set_split:Nnn { NV , NVV }
+\cs_generate_variant:Nn \seq_use:Nnnn { NVVV }
+\cs_generate_variant:Nn \tl_if_eq:nnF { Vx }
+\cs_generate_variant:Nn \tl_if_in:nnTF { VV }
+
+% ----------------------------------------------------------------------------
+% temporary variables:
+\tl_new:N \l__chemnum_tmpa_tl
+\tl_new:N \l__chemnum_tmpb_tl
+
+\seq_new:N \l__chemnum_tmpa_seq
+\seq_new:N \l__chemnum_tmpb_seq
+\seq_new:N \l__chemnum_tmpc_seq
+\seq_new:N \l__chemnum_tmpd_seq
+\seq_new:N \l__chemnum_tmpe_seq
+
+\int_new:N \l__chemnum_tmpa_int
+\int_new:N \l__chemnum_tmpb_int
+\int_new:N \l__chemnum_tmpc_int
+
+% ----------------------------------------------------------------------------
+% variables:
+\prop_new:N \l__chemnum_label_formats_prop
+
+% the main label counter:
+% not very expl3 like but allows `cmpdmain' to be added to the \cl@<ounter>
+% list, i.e., it can e.g. be reset for every chapter:
+\newcounter{cmpdmain}
+% counter for internal reference if needed. Will be a unique number in order
+% of declaration:
+\int_new:N \g__chemnum_main_int
+\int_new:N \l__chemnum_compound_replace_int
+
+\seq_new:N \g__chemnum_initiated_compounds_seq
+\seq_new:N \g__chemnum_defined_compounds_seq
+\seq_new:N \g__chemnum_compound_defined_subcompounds_seq
+
+\tl_new:N \l__chemnum_label_format_tl
+\tl_set:Nn \l__chemnum_label_format_tl {\bfseries}
+\tl_new:N \l__chemnum_local_label_format_tl
+\tl_set_eq:NN \l__chemnum_local_label_format_tl \l__chemnum_label_format_tl
+\tl_new:N \l__chemnum_default_counter_representation_tl
+\tl_set:Nn \l__chemnum_default_counter_representation_tl {arabic}
+\tl_new:N \l__chemnum_default_subcounter_representation_tl
+\tl_set:Nn \l__chemnum_default_subcounter_representation_tl {alph}
+\tl_new:N \l__chemnum_pre_counter_default_tl
+\tl_new:N \l__chemnum_post_counter_default_tl
+\tl_new:N \l__chemnum_pre_label_default_tl
+\tl_new:N \l__chemnum_post_label_default_tl
+\tl_new:N \l__chemnum_pre_main_label_default_tl
+\tl_new:N \l__chemnum_post_main_label_default_tl
+\tl_new:N \l__chemnum_main_separator_tl
+\tl_set:Nn \l__chemnum_main_separator_tl {,}
+\tl_new:N \l__chemnum_sub_separator_tl
+\tl_set:Nn \l__chemnum_sub_separator_tl {,}
+\tl_new:N \l__chemnum_compound_separator_tl
+\tl_set:Nn \l__chemnum_compound_separator_tl {.}
+
+\tl_new:N \l__chemnum_sep_list_two_tl
+\tl_set:Nn \l__chemnum_sep_list_two_tl { \GetTranslation {chemnum-sep-two} }
+\tl_new:N \l__chemnum_sep_list_more_tl
+\tl_set:Nn \l__chemnum_sep_list_more_tl {,~}
+\tl_new:N \l__chemnum_sep_list_last_two_tl
+\tl_set:Nn \l__chemnum_sep_list_last_two_tl { \GetTranslation {chemnum-sep-last-two} }
+
+\tl_new:N \l__chemnum_sep_sublist_two_tl
+\tl_set:Nn \l__chemnum_sep_sublist_two_tl {,}
+\tl_new:N \l__chemnum_sep_sublist_more_tl
+\tl_set:Nn \l__chemnum_sep_sublist_more_tl {,}
+\tl_new:N \l__chemnum_sep_sublist_last_two_tl
+\tl_set:Nn \l__chemnum_sep_sublist_last_two_tl {,}
+\tl_new:N \l__chemnum_sep_sublist_range_tl
+\tl_set:Nn \l__chemnum_sep_sublist_range_tl {--}
+
+\tl_new:N \l__chemnum_compound_replace_tl
+\tl_new:N \l__chemnum_compound_replace_format_tl
+\tl_new:N \l__chemnum_compound_replace_local_format_tl
+\tl_set:Nn \l__chemnum_compound_replace_format_tl {\sffamily}
+\tl_new:N \l__chemnum_compound_replace_tag_tl
+\tl_set:Nn \l__chemnum_compound_replace_tag_tl {TMP}
+\tl_new:N \l__chemnum_psfrag_texpos_tl
+\tl_new:N \l__chemnum_psfrag_local_texpos_tl
+\tl_set:Nn \l__chemnum_psfrag_texpos_tl {b}
+\tl_new:N \l__chemnum_psfrag_pspos_tl
+\tl_new:N \l__chemnum_psfrag_local_pspos_tl
+\tl_set:Nn \l__chemnum_psfrag_pspos_tl {b}
+
+\bool_new:N \l__chemnum_compound_local_bool
+\bool_new:N \g__chemnum_initiate_bool
+\bool_new:N \g__chemnum_initiate_strict_bool
+\bool_new:N \g__chemnum_initiate_sub_bool
+\bool_new:N \l__chemnum_log_bool
+\bool_set_true:N \l__chemnum_log_bool
+\bool_new:N \l__chemnum_log_verbose_bool
+\bool_new:N \l__chemnum_compress_subcompounds_bool
+\bool_set_true:N \l__chemnum_compress_subcompounds_bool
+\bool_new:N \l__chemnum_merge_list_bool
+\bool_new:N \l__chemnum_sub_only_bool
+\bool_new:N \l__chemnum_sub_all_bool
+\bool_new:N \l__chemnum_show_def_bool
+\bool_new:N \l__chemnum_show_ref_bool
+\bool_new:N \l__chemnum_compound_replace_auto_bool
+\bool_set_true:N \l__chemnum_compound_replace_auto_bool
+\bool_new:N \l__chemnum_compound_replace_auto_this_bool
+\bool_set_true:N \l__chemnum_compound_replace_auto_this_bool
+\bool_new:N \l__chemnum_replace_local_bool
+\bool_new:N \l__chemnum_hyperlinks_bool
+
+% ----------------------------------------------------------------------------
+% label formats:
+
+% #1: name
+% #2: function with 1 n-type argument that takes an integer
+\cs_new_protected:Npn \chemnum_add_label_format:nn #1#2
+ {
+ \cs_if_exist:cTF { __chemnum_#1_label_format:n }
+ { \cs_set:cpn { __chemnum_#1_label_format:n } ##1 { #2 {##1} } }
+ { \cs_new:cpn { __chemnum_#1_label_format:n } ##1 { #2 {##1} } }
+ \prop_put:Nnx \l__chemnum_label_formats_prop {#1}
+ { \exp_not:c { __chemnum_#1_label_format:n } }
+ }
+
+% a user level command to add new formats
+\NewDocumentCommand \newcmpdcounterformat {mm}
+ { \chemnum_add_label_format:nn {#1} {#2} }
+
+\newcmpdcounterformat {arabic} { \int_to_arabic:n }
+\newcmpdcounterformat {alph} { \int_to_alph:n }
+\newcmpdcounterformat {Alph} { \int_to_Alph:n }
+\newcmpdcounterformat {roman} { \int_to_roman:n }
+\newcmpdcounterformat {Roman} { \int_to_Roman:n }
+\newcmpdcounterformat {greek} { \chemgreek_int_to_greek:n }
+\newcmpdcounterformat {Greek} { \chemgreek_int_to_Greek:n }
+
+% ----------------------------------------------------------------------------
+%%% options
+% options assigned to group `compound' are only setable with the \cmpd command
+% except they're _also_ asigned to the `general' group; likewise options that
+% are assigned to the group `general' can only be set with \setchemnum except
+% they're also assigned to the `compound' group.
+\keys_define:nn {chemnum}
+ {
+ local .bool_set:N = \l__chemnum_compound_local_bool ,
+ local .groups:n = {compound} ,
+ % counter:
+ counter-within .code:n = \@addtoreset{cmpdmain}{#1} ,
+ counter-within .groups:n = {general} ,
+ counter-format .code:n =
+ \prop_if_in:NnTF \l__chemnum_label_formats_prop {#1}
+ {
+ \tl_set:Nn
+ \l__chemnum_default_counter_representation_tl
+ {#1}
+ }
+ {
+ \msg_warning:nnn {chemnum} {unknown-counter-format} {#1}
+ \tl_set:Nn
+ \l__chemnum_default_counter_representation_tl
+ {arabic}
+ } ,
+ counter-format .groups:n = {compound,general} ,
+ sub-counter-format .code:n =
+ \prop_if_in:NnTF \l__chemnum_label_formats_prop {#1}
+ {
+ \tl_set:Nn
+ \l__chemnum_default_subcounter_representation_tl
+ {#1}
+ }
+ {
+ \msg_warning:nnn {chemnum} {unknown-counter-format} {#1}
+ \tl_set:Nn
+ \l__chemnum_default_subcounter_representation_tl
+ {arabic}
+ } ,
+ sub-counter-format .groups:n = {compound,general} ,
+ % label:
+ pre-label-code .tl_set:N = \l__chemnum_pre_label_default_tl ,
+ pre-label-code .groups:n = {compound} ,
+ post-label-code .tl_set:N = \l__chemnum_post_label_default_tl ,
+ post-label-code .groups:n = {compound} ,
+ pre-main-label-code .tl_set:N = \l__chemnum_pre_main_label_default_tl ,
+ pre-main-label-code .groups:n = {compound} ,
+ post-main-label-code .tl_set:N = \l__chemnum_post_main_label_default_tl ,
+ post-main-label-code .groups:n = {compound} ,
+ main-sub-sep .tl_set:N = \l__chemnum_compound_separator_tl ,
+ main-sub-sep .groups:n = {general,list} ,
+ list-label-sep .tl_set:N = \l__chemnum_main_separator_tl ,
+ list-label-sep .groups:n = {general,list} ,
+ sub-list-label-sep .tl_set:N = \l__chemnum_sub_separator_tl ,
+ sub-list-label-sep .groups:n = {general,list} ,
+ format .code:n =
+ \tl_set:Nn \l__chemnum_local_label_format_tl {#1}
+ \bool_if:NF \l__chemnum_compound_local_bool
+ { \tl_set:Nn \l__chemnum_label_format_tl {#1} } ,
+ format .groups:n = {compound,general} ,
+ sub-only .bool_set:N = \l__chemnum_sub_only_bool ,
+ sub-only .groups:n = {compound,sub-only} ,
+ sub-all .bool_set:N = \l__chemnum_sub_all_bool ,
+ sub-all .groups:n = {compound} ,
+ compress .bool_set:N =
+ \l__chemnum_compress_subcompounds_bool ,
+ compress .groups:n = {compound,general} ,
+ merge .bool_set:N =
+ \l__chemnum_merge_list_bool ,
+ merge .groups:n = {general,list} ,
+ % initiation:
+ init .choice: ,
+ init / true .code:n =
+ \bool_set_true:N \g__chemnum_initiate_bool
+ \bool_set_true:N \g__chemnum_initiate_sub_bool
+ \bool_set_false:N \g__chemnum_initiate_strict_bool ,
+ init / main .code:n =
+ \bool_set_true:N \g__chemnum_initiate_bool
+ \bool_set_false:N \g__chemnum_initiate_sub_bool
+ \bool_set_false:N \g__chemnum_initiate_strict_bool ,
+ init / false .code:n =
+ \bool_set_false:N \g__chemnum_initiate_bool
+ \bool_set_false:N \g__chemnum_initiate_sub_bool
+ \bool_set_false:N \g__chemnum_initiate_strict_bool ,
+ init / strict .code:n =
+ \bool_set_true:N \g__chemnum_initiate_bool
+ \bool_set_true:N \g__chemnum_initiate_sub_bool
+ \bool_set_true:N \g__chemnum_initiate_strict_bool ,
+ init / main-strict .code:n =
+ \bool_set_true:N \g__chemnum_initiate_bool
+ \bool_set_false:N \g__chemnum_initiate_sub_bool
+ \bool_set_true:N \g__chemnum_initiate_strict_bool ,
+ init .default:n = true ,
+ init .groups:n = {general} ,
+ % list processing:
+ list-sep-two .tl_set:N = \l__chemnum_sep_list_two_tl ,
+ list-sep-two .groups:n = {general,list} ,
+ list-sep-more .tl_set:N = \l__chemnum_sep_list_more_tl ,
+ list-sep-more .groups:n = {general,list} ,
+ list-sep-last-two .tl_set:N = \l__chemnum_sep_list_last_two_tl ,
+ list-sep-last-two .groups:n = {general,list} ,
+ sub-list-sep-two .tl_set:N = \l__chemnum_sep_sublist_two_tl ,
+ sub-list-sep-two .groups:n = {compound,general} ,
+ sub-list-sep-more .tl_set:N = \l__chemnum_sep_sublist_more_tl ,
+ sub-list-sep-more .groups:n = {compound,general} ,
+ sub-list-sep-last-two .tl_set:N = \l__chemnum_sep_sublist_last_two_tl ,
+ sub-list-sep-last-two .groups:n = {compound,general} ,
+ sub-list-sep-range .tl_set:N = \l__chemnum_sep_sublist_range_tl ,
+ sub-list-sep-range .groups:n = {compound,general} ,
+ % logging and other information:
+ log .choice: ,
+ log / true .code:n =
+ \bool_set_true:N \l__chemnum_log_bool
+ \bool_set_false:N \l__chemnum_log_verbose_bool ,
+ log / silent .code:n =
+ \bool_set_true:N \l__chemnum_log_bool
+ \bool_set_false:N \l__chemnum_log_verbose_bool ,
+ log / false .code:n =
+ \bool_set_false:N \l__chemnum_log_bool
+ \bool_set_false:N \l__chemnum_log_verbose_bool ,
+ log / verbose .code:n =
+ \bool_set_true:N \l__chemnum_log_bool
+ \bool_set_true:N \l__chemnum_log_verbose_bool ,
+ log .default:n = true ,
+ log .groups:n = {general} ,
+ show-keys .choice: ,
+ show-keys / true .code:n =
+ \bool_set_true:N \l__chemnum_show_def_bool
+ \bool_set_true:N \l__chemnum_show_ref_bool ,
+ show-keys / false .code:n =
+ \bool_set_false:N \l__chemnum_show_def_bool
+ \bool_set_false:N \l__chemnum_show_ref_bool ,
+ show-keys / def .code:n =
+ \bool_set_true:N \l__chemnum_show_def_bool
+ \bool_set_false:N \l__chemnum_show_ref_bool ,
+ show-keys / ref .code:n =
+ \bool_set_false:N \l__chemnum_show_def_bool
+ \bool_set_true:N \l__chemnum_show_ref_bool ,
+ show-keys .default:n = true ,
+ show-keys .groups:n = {general} ,
+ replace .bool_set:N = \l__chemnum_replace_local_bool ,
+ replace .groups:n = {replace} ,
+ replace-auto .bool_set:N = \l__chemnum_compound_replace_auto_bool ,
+ replace-tag .tl_set:N = \l__chemnum_compound_replace_tag_tl ,
+ replace-tag .groups:n = {general} ,
+ tag .code:n =
+ \tl_set:Nn \l__chemnum_compound_replace_tag_tl {#1}
+ \bool_set_false:N \l__chemnum_compound_replace_auto_this_bool ,
+ tag .groups:n = {replace} ,
+ replace-tag-nr .code:n =
+ \int_set:Nn \l__chemnum_compound_replace_int { (#1) - 1 } ,
+ replace-tag-nr .groups:n = {general} ,
+ replace-tag-nr .initial:n = {1} ,
+ replace-style .tl_set:N = \l__chemnum_compound_replace_format_tl ,
+ replace-style .groups:n = {general} ,
+ style .code:n =
+ \tl_set:Nn \l__chemnum_compound_replace_local_format_tl {#1}
+ \bool_set_true:N \l__chemnum_replace_local_bool ,
+ style .groups:n = {replace} ,
+ replace-pos .code:n = \__chemnum_set_psfrag_pos:nn #1 ,
+ replace-pos .groups:n = {general} ,
+ pos .code:n =
+ \bool_set_true:N \l__chemnum_replace_local_bool
+ \__chemnum_set_psfrag_local_pos:nn #1 ,
+ pos .groups:n = {replace} ,
+ hyperlinks .bool_set:N = \l__chemnum_hyperlinks_bool ,
+ hyperlinks .groups:n = {general} ,
+ }
+
+% ----------------------------------------------------------------------------
+% #1: int variable that holds the value
+% #2: the chosen format
+% this command is expandable
+\cs_new:Npn \__chemnum_label_format:Nn #1#2
+ {
+ \prop_if_in:NnTF \l__chemnum_label_formats_prop {#2}
+ { \use:c { __chemnum_#2_label_format:n } {#1} }
+ { \__chemnum_arabic_label_format:n {#1} }
+ }
+\cs_generate_variant:Nn \__chemnum_label_format:Nn { NV , cV }
+
+% ----------------------------------------------------------------------------
+% auxiliary file -- we'll use the .aux file
+% first let's add dummy definitions so we can hopefully avoid error messages
+% if the `chemnum' package is removed from the preamble
+\AtBeginDocument
+ {
+ \if@filesw
+ \iow_now:Nn \@auxout
+ {
+ \providecommand\chemnum@cmpd[8]{} ^^J
+ \providecommand\chemnum@subcmpd[4]{} ^^J
+ \providecommand\chemnum@check{}
+ }
+ \fi
+ }
+
+% we use this one to trigger a LaTeX rerun warning -- to be precise the
+% ``Label(s) may have changed'' warning:
+\cs_new_protected:Npn \__chemnum_rerun:
+ { \AtEndDocument { \def \chemnum@check { \@tempswatrue } } }
+
+% add the rerun check at the end:
+\AtEndDocument { \if@filesw \iow_now:Nn \@auxout { \chemnum@check } \fi }
+
+% ----------------------------------------------------------------------------
+% initiating new compounds
+% - property list that holds
+% - ID
+% - counter value
+% - counter represetation
+% - pre-counter-code
+% - post-counter-code
+% - pre-label-code
+% - post-label-code
+% - formatting code
+% - add to list of initiated compounds
+
+\cs_new_protected:Npn \chemnum_initiate_compound:n #1
+ {
+ \chemnum_compound_if_initiated:nF {#1}
+ { \seq_gput_right:Nn \g__chemnum_initiated_compounds_seq {#1} }
+ }
+
+% #1: ID
+\cs_new_protected:Npn \chemnum_define_compound:n #1
+ {
+ \chemnum_initialize_compound:n {#1}
+ \chemnum_compound_declare_properties:nn {#1}
+ {
+ ID ,
+ number ,
+ counter-representation ,
+ pre-label-code ,
+ post-label-code ,
+ pre-main-label-code ,
+ post-main-label-code ,
+ label-format
+ }
+ \chemnum_compound_set_property:nnn {#1} {ID} {#1}
+ \chemnum_compound_set_property:nnx {#1} {number}
+ { \int_use:N \c@cmpdmain }
+ \chemnum_compound_set_property:nnx {#1} {counter-representation}
+ {
+ \exp_not:V \l__chemnum_pre_counter_default_tl
+ \__chemnum_label_format:NV
+ \c@cmpdmain % \g__chemnum_main_int
+ \l__chemnum_default_counter_representation_tl
+ \exp_not:V \l__chemnum_post_counter_default_tl
+ }
+ \chemnum_compound_set_property:nnV {#1} {pre-label-code}
+ \l__chemnum_pre_label_default_tl
+ \chemnum_compound_set_property:nnV {#1} {post-label-code}
+ \l__chemnum_post_label_default_tl
+ \chemnum_compound_set_property:nnV {#1} {pre-main-label-code}
+ \l__chemnum_pre_main_label_default_tl
+ \chemnum_compound_set_property:nnV {#1} {post-main-label-code}
+ \l__chemnum_post_main_label_default_tl
+ \chemnum_compound_set_property:nnV {#1} {label-format}
+ \l__chemnum_label_format_tl
+ }
+
+\cs_new_protected:Npn \chemnum_finalize_compound:n #1
+ {
+ \chemnum_compound_update_properties:n {#1}
+ \chemnum_save_compound_to_auxfile:n {#1}
+ \chemnum_log_main:n {#1}
+ }
+
+% TODO: keep? and if: what should it set?
+\cs_new_protected:Npn \chemnum_set_compound:n #1
+ {
+ % those should be done: however, they overwrite existing options in any
+ % case... this would overwrite options that really should stay set.
+
+ % \chemnum_compound_set_property:nnV {#1} {pre-label-code}
+ % \l__chemnum_pre_label_default_tl
+ % \chemnum_compound_set_property:nnV {#1} {post-label-code}
+ % \l__chemnum_post_label_default_tl
+ % \chemnum_compound_set_property:nnV {#1} {post-main-label-code}
+ % \l__chemnum_post_main_label_default_tl
+ % \chemnum_compound_set_property:nnV {#1} {label-format}
+ % \l__chemnum_label_format_tl
+ % \chemnum_save_compound_to_auxfile:n {#1}
+ % \chemnum_compound_update_properties:n {#1}
+ }
+
+% we can use this command as a hook through redefinition:
+\cs_new_protected:Npn \chemnum_initialize_compound:n #1
+ { \chemnum_init_raw_compound:n {#1} }
+
+\cs_new_protected:Npn \chemnum_init_raw_compound:n #1
+ {
+ \seq_if_in:NnF \g__chemnum_defined_compounds_seq {#1}
+ {
+ \seq_gput_right:Nn \g__chemnum_defined_compounds_seq {#1}
+ \int_gincr:N \g__chemnum_main_int
+ \stepcounter{cmpdmain}
+ }
+ \seq_if_exist:cF { g__chemnum_#1_initiated_subcompounds_seq }
+ { \seq_new:c { g__chemnum_#1_initiated_subcompounds_seq } }
+ }
+
+% #1: main ID
+% #2: sub ID
+\cs_new_protected:Npn \chemnum_define_subcompound:nn #1#2
+ {
+ \chemnum_initialize_subcompound:nn {#1} {#2}
+ \chemnum_subcompound_declare_properties:nnn {#1} {#2}
+ {
+ ID ,
+ main-compound ,
+ number ,
+ counter-representation
+ }
+ \chemnum_subcompound_set_property:nnnn {#1} {#2} {ID} {#2}
+ \chemnum_subcompound_set_property:nnnn {#1} {#2} {main-compound} {#1}
+ \chemnum_subcompound_set_property:nnnx {#1} {#2} {number}
+ { \int_use:c { g__chemnum_compound_#1_subcompound_int } }
+ \chemnum_subcompound_set_property:nnnx {#1} {#2} {counter-representation}
+ {
+ \__chemnum_label_format:cV
+ { g__chemnum_compound_#1_subcompound_int }
+ \l__chemnum_default_subcounter_representation_tl
+ }
+ }
+
+\cs_new_protected:Npn \chemnum_finalize_subcompound:nn #1#2
+ {
+ \chemnum_save_subcompound_to_auxfile:nn {#1} {#2}
+ \chemnum_subcompound_update_properties:nn {#1} {#2}
+ \chemnum_log_sub:nn {#1} {#2}
+ }
+
+\cs_new_protected:Npn \chemnum_initialize_subcompound:nn #1#2
+ {
+ \int_if_exist:cF { g__chemnum_compound_#1_subcompound_int }
+ { \int_new:c { g__chemnum_compound_#1_subcompound_int } }
+ \int_gincr:c { g__chemnum_compound_#1_subcompound_int }
+ \seq_if_exist:cF { g__chemnum_compound_#1_subcompounds_seq }
+ { \seq_new:c { g__chemnum_compound_#1_subcompounds_seq } }
+ \prop_if_exist:cF { g__chemnum_compound_#1_subcompounds_prop }
+ { \prop_new:c { g__chemnum_compound_#1_subcompounds_prop } }
+ \seq_if_in:cnF { g__chemnum_compound_#1_subcompounds_seq } {#2}
+ { \seq_gput_right:cn { g__chemnum_compound_#1_subcompounds_seq } {#2} }
+ \seq_gput_right:Nn \g__chemnum_compound_defined_subcompounds_seq {#1#2}
+ \prop_gput:cnx { g__chemnum_compound_#1_subcompounds_prop } {#2}
+ {
+ \int_use:c { g__chemnum_compound_#1_subcompound_int } :
+ \__chemnum_label_format:cV
+ { g__chemnum_compound_#1_subcompound_int }
+ \l__chemnum_default_subcounter_representation_tl
+ }
+ }
+
+% ----------------------------------------------------------------------------
+\cs_new_protected:Npn \chemnum_log_main:n #1
+ {
+ \bool_if:NT \l__chemnum_log_bool
+ {
+ \bool_if:NTF \l__chemnum_log_verbose_bool
+ { \msg_log:nnn {chemnum} {log-compound-verbose} {#1} }
+ { \msg_log:nnn {chemnum} {log-compound-silent} {#1} }
+ }
+ }
+
+\cs_new_protected:Npn \chemnum_log_sub:nn #1#2
+ {
+ \bool_if:NT \l__chemnum_log_bool
+ {
+ \bool_if:NTF \l__chemnum_log_verbose_bool
+ { \msg_log:nnnn {chemnum} {log-subcompound-verbose} {#1} {#2} }
+ { \msg_log:nnnn {chemnum} {log-subcompound-silent} {#1} {#2} }
+ }
+ }
+
+% ----------------------------------------------------------------------------
+% #1: ID
+\prg_new_protected_conditional:Npnn \chemnum_compound_if_initiated:n #1
+ { T,F,TF }
+ {
+ \seq_if_in:NnTF \g__chemnum_initiated_compounds_seq {#1}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+% #1: main ID
+% #2: sub ID
+\prg_new_protected_conditional:Npnn \chemnum_subcompound_if_initiated:nn #1#2
+ { T,F,TF }
+ {
+ \seq_if_in:cnTF { g__chemnum_#1_initiated_subcompounds_seq } {#2}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+% #1: ID
+\prg_new_protected_conditional:Npnn \chemnum_compound_if_defined:n #1
+ { T,F,TF }
+ {
+ \seq_if_in:NnTF \g__chemnum_defined_compounds_seq {#1}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+% #1: main ID
+% #2: sub ID
+\prg_new_protected_conditional:Npnn \chemnum_subcompound_if_defined:nn #1#2
+ { T,F,TF }
+ {
+ \seq_if_in:NnTF \g__chemnum_compound_defined_subcompounds_seq {#1#2}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+% ----------------------------------------------------------------------------
+% #1: ID
+% #2: property to be defined
+\cs_new_protected:Npn \chemnum_compound_declare_property:nn #1#2
+ {
+ \seq_if_exist:cF { g__chemnum_compound_#1_properties_seq }
+ { \seq_new:c { g__chemnum_compound_#1_properties_seq } }
+ \prop_if_exist:cF { g__chemnum_compound_#1_prop }
+ { \prop_new:c { g__chemnum_compound_#1_prop } }
+ \seq_if_in:cnF { g__chemnum_compound_#1_properties_seq } {#2}
+ { \seq_gput_right:cn { g__chemnum_compound_#1_properties_seq } {#2} }
+ }
+
+% #1: ID
+% #2: properties to be defined
+\cs_new_protected:Npn \chemnum_compound_declare_properties:nn #1#2
+ {
+ \clist_map_inline:nn {#2}
+ { \chemnum_compound_declare_property:nn {#1} {##1} }
+ }
+
+% #1: ID
+% #2: property to be set
+% #3: value of property
+\cs_new_protected:Npn \chemnum_compound_set_property:nnn #1#2#3
+ {
+ \seq_if_in:cnTF { g__chemnum_compound_#1_properties_seq } {#2}
+ { \prop_gput:cnn { g__chemnum_compound_#1_prop } {#2} {#3} }
+ { \msg_error:nnn {chemnum} {property-undefined} {#1} {#2} }
+ }
+\cs_generate_variant:Nn \chemnum_compound_set_property:nnn { nnV , nnx }
+
+% #1: ID
+% #2: property to be updated
+\cs_new_protected:Npn \chemnum_compound_update_property:nn #1#2
+ {
+ \seq_if_in:cnTF { g__chemnum_compound_#1_properties_seq } {#2}
+ {
+ \prop_get:cnN { g__chemnum_compound_#1_prop } {previous-#2}
+ \l__chemnum_tmpa_tl
+ \prop_get:cnN { g__chemnum_compound_#1_prop } {#2}
+ \l__chemnum_tmpb_tl
+ \tl_if_eq:NNF \l__chemnum_tmpb_tl \l__chemnum_tmpa_tl
+ {
+ \prop_gput:cnV { g__chemnum_compound_#1_prop }
+ {previous-#2}
+ \l__chemnum_tmpb_tl
+ }
+ }
+ { \msg_error:nnn {chemnum} {property-undefined} {#1} {#2} }
+ }
+
+% #1: ID
+\cs_new_protected:Npn \chemnum_compound_update_properties:n #1
+ {
+ \seq_map_inline:cn { g__chemnum_compound_#1_properties_seq }
+ { \chemnum_compound_update_property:nn {#1} {##1} }
+ }
+
+% #1: main ID
+% #2. sub ID
+% #3: property to be defined
+\cs_new_protected:Npn \chemnum_subcompound_declare_property:nnn #1#2#3
+ {
+ \seq_if_in:cnF { g__chemnum_compound_#1_#2_properties_seq } {#3}
+ { \seq_gput_right:cn { g__chemnum_compound_#1_#2_properties_seq } {#3} }
+ }
+
+% #1: main ID
+% #2. sub ID
+% #3: properties to be defined
+\cs_new_protected:Npn \chemnum_subcompound_declare_properties:nnn #1#2#3
+ {
+ \seq_if_exist:cF { g__chemnum_compound_#1_#2_properties_seq }
+ { \seq_new:c { g__chemnum_compound_#1_#2_properties_seq } }
+ \prop_if_exist:cF { g__chemnum_compound_#1_#2_properties_prop }
+ { \prop_new:c { g__chemnum_compound_#1_#2_properties_prop } }
+ \clist_map_inline:nn { #3 }
+ { \chemnum_subcompound_declare_property:nnn {#1} {#2} {##1} }
+ }
+
+% #1: main ID
+% #2: sub ID
+% #3: property to be set
+% #4: value of property
+\cs_new_protected:Npn \chemnum_subcompound_set_property:nnnn #1#2#3#4
+ {
+ \seq_if_in:cnTF { g__chemnum_compound_#1_#2_properties_seq } {#3}
+ { \prop_gput:cnn { g__chemnum_compound_#1_#2_properties_prop } {#3} {#4} }
+ { \msg_error:nnn {chemnum} {property-undefined} {#1.#2} {#3} }
+ }
+\cs_generate_variant:Nn \chemnum_subcompound_set_property:nnnn { nnnV , nnnx }
+
+% #1: main ID
+% #2. sub ID
+% #3: property to be updated
+\cs_new_protected:Npn \chemnum_subcompound_update_property:nnn #1#2#3
+ {
+ \seq_if_in:cnTF { g__chemnum_compound_#1_#2_properties_seq }
+ {
+ \prop_get:cnN { g__chemnum_compound_#1_#2_properties_prop } {previous-#3}
+ \l__chemnum_tmpa_tl
+ \prop_get:cnN { g__chemnum_compound_#1_#2_properties_prop } {#3}
+ \l__chemnum_tmpb_tl
+ \tl_if_eq:NNF \l__chemnum_tmpb_tl \l__chemnum_tmpa_tl
+ {
+ \prop_gput:cnV { g__chemnum_compound_#1_#2_properties_prop }
+ {previous-#3}
+ \l__chemnum_tmpb_tl
+ }
+ }
+ { \msg_error:nnn {chemnum} {property-undefined} {#1.#2} {#3} }
+ }
+
+% #1: main ID
+% #2: sub ID
+\cs_new_protected:Npn \chemnum_subcompound_update_properties:nn #1#2
+ {
+ \seq_map_inline:cn { g__chemnum_compound_#1_#2_properties_seq }
+ { \chemnum_subcompound_update_property:nnn {#1} {#2} {##1} }
+ }
+
+% #1: ID
+% #2: property
+\cs_new_protected:Npn \chemnum_get_compound_property:nn #1#2
+ { \chemnum_get_compound_property_or:nnn {#1} {#2} { } }
+
+\cs_new_protected:Npn \chemnum_get_compound_property_or:nnn #1#2#3
+ {
+ \prop_get:cnNTF { g__chemnum_compound_#1_prop } {#2}
+ \l__chemnum_tmpa_tl
+ { \tl_use:N \l__chemnum_tmpa_tl }
+ {#3}
+ }
+
+\cs_new:Npn \chemnum_expandable_get_compound_property:nn #1#2
+ { \prop_item:cn { g__chemnum_compound_#1_prop } {#2} }
+\cs_generate_variant:Nn \chemnum_expandable_get_compound_property:nn { V }
+
+% #1: main ID
+% #2: sub ID
+% #3: property
+\cs_new_protected:Npn \chemnum_get_subcompound_property:nnn #1#2#3
+ { \chemnum_get_subcompound_property_or:nnnn {#1} {#2} {#3} { } }
+
+\cs_new_protected:Npn \chemnum_get_subcompound_property_or:nnnn #1#2#3#4
+ {
+ \prop_get:cnNTF { g__chemnum_compound_#1_#2_properties_prop } {#3}
+ \l__chemnum_tmpa_tl
+ { \tl_use:N \l__chemnum_tmpa_tl }
+ {#4}
+ }
+
+\cs_new:Npn \chemnum_expandable_get_subcompound_property:nnn #1#2#3
+ { \prop_item:cn { g__chemnum_compound_#1_#2_properties_prop } {#3} }
+
+% ----------------------------------------------------------------------------
+\DeclareExpandableDocumentCommand \cmpdproperty { mm }
+ { \chemnum_expandable_get_compound_property:nn {#1} {#2} }
+
+\DeclareExpandableDocumentCommand \subcmpdproperty { mmm }
+ { \chemnum_expandable_get_subcompound_property:nnn {#1} {#2} {#3} }
+
+% ----------------------------------------------------------------------------
+% initiating subcompounds:
+
+% #1: main ID
+% #2: sub ID
+\cs_new_protected:Npn \chemnum_initiate_subcompound:nn #1#2
+ {
+ \chemnum_subcompound_if_initiated:nnF {#1} {#2}
+ { \seq_gput_right:cn { g__chemnum_#1_initiated_subcompounds_seq } {#2} }
+ }
+
+% ----------------------------------------------------------------------------
+
+% saving compounds to the auxilliary file:
+% #1: ID
+% #2: counter value
+% #3: counter representation
+% #4: pre label
+% #5: post label
+% #6: pre main label
+% #7: post main label
+% #8: label format
+\cs_new_protected:Npn \__chemnum_write_compound_to_auxfile_x:nnnnnnnn #1#2#3#4#5#6#7#8
+ {
+ \if@filesw
+ \token_if_eq_meaning:NNT \@nodocument \relax
+ {
+ \iow_now:Nx \@auxout
+ { \exp_not:N \chemnum@cmpd {#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8} }
+ }
+ \fi
+ }
+\cs_generate_variant:Nn \__chemnum_write_compound_to_auxfile_x:nnnnnnnn { nnnVVVVV }
+
+\cs_new_protected:Npn \chemnum_save_compound_to_auxfile:n #1
+ {
+ \__chemnum_write_compound_to_auxfile_x:nnnnnnnn {#1}
+ { \chemnum_expandable_get_compound_property:nn {#1} {number} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {counter-representation} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {pre-label-code} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {post-label-code} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {pre-main-label-code} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {post-main-label-code} }
+ { \chemnum_expandable_get_compound_property:nn {#1} {label-format} }
+ }
+
+% #1: main ID
+% #2: sub ID
+% #2: counter value
+% #3: counter representation
+\cs_new_protected:Npn \__chemnum_write_subcompound_to_auxfile_x:nnnn #1#2#3#4
+ {
+ \if@filesw
+ \token_if_eq_meaning:NNT \@nodocument \relax
+ {
+ \iow_now:Nx \@auxout
+ { \exp_not:N \chemnum@subcmpd {#1}{#2}{#3}{#4} }
+ }
+ \fi
+ }
+
+\cs_new_protected:Npn \chemnum_save_subcompound_to_auxfile:nn #1#2
+ {
+ \__chemnum_write_subcompound_to_auxfile_x:nnnn {#1} {#2}
+ {
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {number}
+ }
+ {
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {counter-representation}
+ }
+ }
+
+% ----------------------------------------------------------------------------
+% #1: ID
+% #2: counter value
+% #3: counter representation
+% #4: pre label
+% #5: post label
+% #6: pre main label
+% #7: post main label
+% #8: label format
+\cs_new_protected:Npn \chemnum@cmpd #1#2#3#4#5#6#7#8
+ {
+ % \chemnum_initialize_compound:n {#1}
+ \prop_if_exist:cF { g__chemnum_compound_#1_prop }
+ { \prop_new:c { g__chemnum_compound_#1_prop } }
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-number} {#2}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-counter-representation} {#3}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-pre-label-code} {#4}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-post-label-code} {#5}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-pre-main-label-code} {#6}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-post-main-label-code} {#7}
+ \prop_gput:cnn { g__chemnum_compound_#1_prop }
+ {previous-label-format} {#8}
+ }
+
+% #1: main ID
+% #2: sub ID
+% #3: counter value
+% #4: counter representation
+\cs_new_protected:Npn \chemnum@subcmpd #1#2#3#4
+ {
+ \prop_if_exist:cF { g__chemnum_compound_#1_#2_properties_prop }
+ { \prop_new:c { g__chemnum_compound_#1_#2_properties_prop } }
+ \seq_if_exist:cF { g__chemnum_compound_#1_subcompounds_seq }
+ { \seq_new:c { g__chemnum_compound_#1_subcompounds_seq } }
+ \seq_if_in:cnF { g__chemnum_compound_#1_subcompounds_seq } {#2}
+ { \seq_gput_right:cn { g__chemnum_compound_#1_subcompounds_seq } {#2} }
+ \prop_gput:cnn { g__chemnum_compound_#1_#2_properties_prop }
+ {previous-number} {#3}
+ \prop_gput:cnn { g__chemnum_compound_#1_#2_properties_prop }
+ {previous-counter-representation} {#4}
+ }
+
+% ----------------------------------------------------------------------------
+% declaring and writing compounds:
+
+% #1: options
+% #2: ID
+\cs_new_protected:Npn \chemnum_declare_compound:nn #1#2
+ {
+ \tl_if_blank:nF {#1}
+ { \keys_set_groups:nnn {chemnum} {compound} { local=true , #1 } }
+ \chemnum_compound_if_initiated:nF {#2}
+ {
+ \bool_if:NT \g__chemnum_initiate_bool
+ {
+ \bool_if:NTF \g__chemnum_initiate_strict_bool
+ { \msg_error:nnn {chemnum} {compound-not-initiated} {#2} }
+ { \msg_warning:nnn {chemnum} {compound-not-initiated} {#2} }
+ }
+ \bool_if:NT \l__chemnum_show_def_bool
+ { \cmpdshowdef { #2 } }
+ \bool_set_false:N \l__chemnum_show_ref_bool
+ \chemnum_initiate_compound:n {#2}
+ }
+ \chemnum_compound_if_defined:nTF {#2}
+ { \chemnum_set_compound:n {#2} }
+ {
+ \chemnum_define_compound:n {#2}
+ \chemnum_finalize_compound:n {#2}
+ }
+ }
+
+% #1: options
+% #2: main ID
+% #3: sub ID
+\cs_new_protected:Npn \chemnum_declare_subcompound:nnn #1#2#3
+ {
+ % \keys_set:nn {chemnum} {#1}
+ \chemnum_subcompound_if_initiated:nnF {#2} {#3}
+ {
+ \bool_if:NT \g__chemnum_initiate_sub_bool
+ {
+ \bool_if:NTF \g__chemnum_initiate_strict_bool
+ {
+ \msg_error:nnnn {chemnum} {subcompound-not-initiated}
+ {#2} {#3}
+ }
+ {
+ \msg_warning:nnnn {chemnum} {subcompound-not-initiated}
+ {#2} {#3}
+ }
+ }
+ \bool_if:NT \l__chemnum_show_def_bool
+ { \subcmpdshowdef { #2 } { #3 } }
+ \bool_set_false:N \l__chemnum_show_ref_bool
+ \chemnum_initiate_subcompound:nn {#2} {#3}
+ }
+ \chemnum_subcompound_if_defined:nnF {#2} {#3}
+ {
+ \chemnum_define_subcompound:nn {#2} {#3}
+ \chemnum_finalize_subcompound:nn {#2} {#3}
+ }
+ }
+
+\cs_new_protected:Npn \chemnum_compound_start:n #1
+ {
+ \bool_if:NF \l__chemnum_sub_only_bool
+ { \chemnum_get_compound_property:nn {#1} {pre-label-code} }
+ }
+
+\cs_new:Npn \chemnum_expandable_compound_start:n #1
+ {
+ \bool_if:NF \l__chemnum_sub_only_bool
+ {
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {previous-pre-label-code}
+ }
+ }
+
+\cs_new_protected:Npn \chemnum_compound_finish:n #1
+ {
+ \bool_if:NF \l__chemnum_sub_only_bool
+ { \chemnum_get_compound_property:nn {#1} {post-label-code} }
+ }
+
+\cs_new:Npn \chemnum_expandable_compound_finish:n #1
+ {
+ \bool_if:NF \l__chemnum_sub_only_bool
+ {
+ \chemnum_expandable_get_compound_property:nn {#1}
+ {previous-post-label-code}
+ }
+ }
+
+% actively write a compound:
+% #1: ID
+\cs_new_protected:Npn \chemnum_compound_write:n #1
+ {
+ \chemnum_get_compound_property:nn {#1} {pre-main-label-code}
+ \group_begin:
+ \bool_if:NTF \l__chemnum_compound_local_bool
+ { \l__chemnum_local_label_format_tl }
+ { \chemnum_get_compound_property:nn {#1} {label-format} }
+ { \chemnum_get_compound_property:nn {#1} {counter-representation} }
+ \group_end:
+ \chemnum_get_compound_property:nn {#1} {post-main-label-code}
+ }
+
+% actively write a subcompound:
+% #1: main ID
+% #2: sub ID
+\cs_new_protected:Npn \chemnum_subcompound_write:nn #1#2
+ {
+ \group_begin:
+ \bool_if:NTF \l__chemnum_compound_local_bool
+ { \l__chemnum_local_label_format_tl }
+ { \chemnum_get_compound_property:nn {#1} {label-format} }
+ {
+ \chemnum_get_subcompound_property:nnn {#1} {#2}
+ {counter-representation}
+ }
+ \group_end:
+ }
+
+% this is only provided for use in PDF strings:
+\cs_new:Npn \chemnum_expandable_compound_write:n #1
+ {
+ \chemnum_expandable_get_compound_property:nn {#1} {pre-main-label-code}
+ \chemnum_expandable_get_compound_property:nn {#1} {counter-representation}
+ \chemnum_expandable_get_compound_property:nn {#1} {post-main-label-code}
+ }
+
+\cs_new:Npn \chemnum_expandable_subcompound_write:nn #1#2
+ {
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {counter-representation}
+ }
+
+% read and write saved values:
+% #1: ID
+\cs_new_protected:Npn \chemnum_compound_read:n #1
+ {
+ \chemnum_get_compound_property:nn {#1} {previous-pre-main-label-code}
+ \group_begin:
+ \chemnum_get_compound_property:nn {#1} {previous-label-format}
+ {
+ \chemnum_get_compound_property_or:nnn {#1}
+ { previous-counter-representation }
+ { ?? \__chemnum_rerun: }
+ }
+ \group_end:
+ \chemnum_get_compound_property:nn {#1} {previous-post-main-label-code}
+
+ }
+
+% #1: main ID
+% #2: sub ID
+\cs_new_protected:Npn \chemnum_subcompound_read:nn #1#2
+ {
+ \group_begin:
+ \bool_if:NTF \l__chemnum_compound_local_bool
+ { \l__chemnum_local_label_format_tl }
+ { \chemnum_get_compound_property:nn {#1} {previous-label-format} }
+ {
+ \chemnum_get_subcompound_property_or:nnnn {#1} {#2}
+ {previous-counter-representation}
+ { ?? \__chemnum_rerun: }
+ }
+ \group_end:
+ }
+
+% this is only provided for use in PDF strings:
+\cs_new:Npn \chemnum_expandable_compound_read:n #1
+ {
+ \chemnum_expandable_get_compound_property:nn {#1} {previous-pre-main-label-code}
+ \chemnum_expandable_get_compound_property:nn {#1} {previous-counter-representation}
+ \chemnum_expandable_get_compound_property:nn {#1} {previous-post-main-label-code}
+ }
+
+\cs_new:Npn \chemnum_expandable_subcompound_read:nn #1#2
+ {
+ \chemnum_expandable_get_subcompound_property:nnn {#1} {#2}
+ {previous-counter-representation}
+ }
+
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: write == true and read == false
+% #4: write == true and read == true
+\cs_new:Npn \chemnum_if_write_and_or_read:NNTF #1#2
+ {
+ \bool_if:NTF #1
+ { \use_none:nn }
+ {
+ \bool_if:NTF #2
+ { \use_ii:nn }
+ { \use_i:nn }
+ }
+ }
+
+% write a label from the entries of \cmpd:
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: options
+% #4: label specifications
+\cs_new_protected:Npn \chemnum_single_compound:NNnn #1#2#3#4
+ {
+ \bool_if:NT #1 { \@bsphack }
+ \group_begin:
+ \chemnum_split_sub_from_main:VNNnn
+ \l__chemnum_compound_separator_tl
+ #1 #2 {#3} {#4}
+ \group_end:
+ \bool_if:NT {#1} { \@esphack }
+ }
+
+% #1: label separator
+% #2: boolean: if true register compound but don't write the label
+% #3: boolean: if true only read compound
+% #4: options
+% #5: label spec
+\cs_new_protected:Npn \chemnum_split_sub_from_main:nNNnn #1#2#3#4#5
+ {
+ \cs_set:Npn \__chemnum_split_sub_from_main_aux:nnnw ##1##2##3##4#1##5#1##6 \q_stop
+ {
+ \bool_if:NF ##2 { \chemnum_declare_compound:nn {##3} {##4} }
+ \keys_set_groups:nnn {chemnum} {sub-only} {#4}
+ \chemnum_if_write_and_or_read:NNTF #2 #3
+ { \chemnum_compound_start:n {##4} }
+ { \chemnum_expandable_compound_start:n {##4} }
+ % shis is in the compound_write command:
+ \chemnum_write_main:nnnn {##1} {##2} {##3} {##4}
+ \bool_if:nT
+ {
+ !\l__chemnum_sub_all_bool &&
+ !\tl_if_blank_p:n {##5}
+ }
+ { \chemnum_write_sublist:NNnnn ##1 ##2 {##3} {##4} {##5} }
+ \bool_if:NT \l__chemnum_sub_all_bool
+ {
+ \tl_clear:N \l__chemnum_tmpa_tl
+ \tl_set:Nx \l__chemnum_tmpa_tl
+ { \seq_use:cn { g__chemnum_compound_##4_subcompounds_seq } { , } }
+ \tl_if_blank:VF \l__chemnum_tmpa_tl
+ {
+ \chemnum_write_sublist:NNnnV ##1 ##2 {##3} {##4}
+ \l__chemnum_tmpa_tl
+ }
+ }
+ \chemnum_if_write_and_or_read:NNTF #2 #3
+ { \chemnum_compound_finish:n {##4} }
+ { \chemnum_expandable_compound_finish:n {##4} }
+ }
+ \__chemnum_split_sub_from_main_aux:nnnw {#2} {#3} {#4} #5#1#1 \q_stop
+ }
+\cs_generate_variant:Nn \chemnum_split_sub_from_main:nNNnn { V }
+
+\cs_new:Npn \__chemnum_split_sub_from_main_aux:nnnw #1#2#3#4.#5.#6 \q_stop {}
+
+% \chemnum_write_main:nnnn will write the main label, either with saved
+% values (+ variant, boolean #2=true), or only register it (* variant, boolean
+% #1=true)
+%
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: options
+% #4: label spec
+\cs_new_protected:Npn \chemnum_write_main:nnnn #1#2#3#4
+ {
+ \bool_if:NTF #2
+ {
+ \chemnum_hyper_link:nn {#4}
+ { \chemnum_compound_read:n {#4} }
+ \bool_if:NT #1
+ { \msg_error:nn {chemnum} {erroneous-argument-combination} }
+ }
+ {
+ \bool_if:NT \l__chemnum_show_ref_bool
+ { \cmpdshowref {#4} }
+ \bool_if:nF
+ { #1 || \l__chemnum_sub_only_bool }
+ {
+ \chemnum_if_compound_used:nTF {#4}
+ { \chemnum_hyper_link:nn {#4} }
+ {
+ \chemnum_use_compound:n {#4}
+ \chemnum_hyper_target:nn {#4}
+ }
+ { \chemnum_compound_write:n {#4} }
+ }
+ }
+ }
+
+% ----------------------------------------------------------------------------
+% use this for determining wether we need a hyperlink or hypertarget:
+\seq_new:N \g__chemnum_used_compounds_seq
+
+\prg_new_conditional:Npnn \chemnum_if_compound_used:n #1 {p,T,F,TF}
+ {
+ \seq_if_in:NnTF \g__chemnum_used_compounds_seq {#1}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+\cs_new_protected:Npn \chemnum_use_compound:n #1
+ { \seq_gput_right:Nn \g__chemnum_used_compounds_seq {#1} }
+
+% ----------------------------------------------------------------------------
+% hyperlinks:
+
+\cs_new_eq:NN \chemnum_hyper_target:nn \use_ii:nn
+\cs_new_eq:NN \chemnum_hyper_link:nn \use_ii:nn
+
+\AtBeginDocument
+ {
+ % TODO: add boolean which allows en- and disabling the mechanism; disable
+ % it per default
+ \@ifpackageloaded {hyperref}
+ {
+ \bool_if:NT \l__chemnum_hyperlinks_bool
+ {
+ \cs_set_eq:NN \chemnum_hyper_link:nn \hyperlink
+ \cs_set:Npn \chemnum_hyper_target:nn #1#2
+ { \raisebox {3ex} [0pt] { \hypertarget {#1} {} } #2 }
+ }
+ }
+ {}
+ }
+
+% ----------------------------------------------------------------------------
+\cs_set_protected:Npn \chemnum_show_key_def:n #1
+ { \marginpar { \fbox { \normalfont \ttfamily #1 } } }
+
+\cs_set_protected:Npn \chemnum_show_key_ref:n #1
+ {
+ \group_begin:
+ \hbox_unpack:N \c_empty_box % this is \leavevmode
+ \vbox_to_zero:n
+ {
+ \tex_vss:D
+ \hbox_overlap_right:n
+ {
+ \tex_vrule:D \tex_raise:D .75em
+ \hbox:n
+ { \underbar { \normalfont \footnotesize \ttfamily #1 } }
+ }
+ }
+ \group_end:
+ }
+
+% ----------------------------------------------------------------------------
+\NewDocumentCommand \chemnumshowdef {m}
+ { \chemnum_show_key_def:n {#1} }
+\NewDocumentCommand \chemnumshowref {m}
+ { \chemnum_show_key_ref:n {#1} }
+
+\NewDocumentCommand \cmpdshowdef {m} { \chemnumshowdef {#1} }
+\NewDocumentCommand \cmpdshowref {m} { \chemnumshowref {#1} }
+\NewDocumentCommand \subcmpdshowdef {mm} { \chemnumshowdef {#2~(#1)} }
+\NewDocumentCommand \subcmpdshowref {mm} { \chemnumshowref {#2} }
+
+% ----------------------------------------------------------------------------
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: options
+% #4: main label id
+% #5: sublabel list
+\cs_new_protected:Npn \chemnum_write_sublist:NNnnn #1#2#3#4#5
+ {
+ \seq_set_split:NVn
+ \l__chemnum_tmpc_seq
+ \l__chemnum_sub_separator_tl
+ {#5}
+ \seq_remove_duplicates:N \l__chemnum_tmpc_seq
+ \seq_map_inline:Nn \l__chemnum_tmpc_seq
+ {
+ \bool_if:NF #2
+ { \chemnum_declare_subcompound:nnn {#3} {#4} {##1} }
+ }
+ \seq_clear:N \l__chemnum_tmpd_seq
+ % puts the subcompounds ready to be printed in \l__chemnum_tmpd_seq :
+ \chemnum_sort_subcompounds:NNNnnNN #1#2
+ \l__chemnum_tmpc_seq
+ {#3}
+ {#4}
+ \l__chemnum_tmpd_seq % to write the uncompressed list
+ \l__chemnum_tmpe_seq % for compressing the list, holds the numbers
+ \bool_if:nTF
+ {
+ \l__chemnum_compress_subcompounds_bool
+ &&
+ \int_compare_p:n { \seq_count:N \l__chemnum_tmpe_seq > 2 }
+ }
+ {
+ % needs a seq with the associated /numbers/!
+ \chemnum_compress_subcompounds:NNN
+ \l__chemnum_tmpd_seq % holds the IDs
+ \l__chemnum_tmpe_seq % holds the numbers
+ \l__chemnum_tmpc_seq % the new sequence
+ \seq_use:Nn \l__chemnum_tmpc_seq {}
+ }
+ {
+ \seq_use:NVVV \l__chemnum_tmpd_seq
+ \l__chemnum_sep_sublist_two_tl
+ \l__chemnum_sep_sublist_more_tl
+ \l__chemnum_sep_sublist_last_two_tl
+ }
+ }
+\cs_generate_variant:Nn \chemnum_write_sublist:NNnnn { NNnnV }
+
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: options
+% #4: main ID
+% #5: sub ID
+\cs_new_protected:Npn \chemnum_write_subcompound:NNnnn #1#2#3#4#5
+ {
+ \bool_if:NTF #2
+ { \chemnum_subcompound_read:nn {#4} {#5} }
+ {
+ \chemnum_declare_subcompound:nnn {#3} {#4} {#5}
+ \bool_if:NT \l__chemnum_show_ref_bool
+ { \subcmpdshowref { #4 } { #5 } }
+ \bool_if:NF #1
+ { \chemnum_subcompound_write:nn {#4} {#5} }
+ }
+ }
+\cs_generate_variant:Nn \chemnum_write_subcompound:NNnnn { NNnnV }
+
+%%% The following command sorts the sequence according to the order in which
+%%% they've been declared
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: sub ID sequence
+% #4: options
+% #5: main ID
+% #6: seq variable
+% #7: seq variable
+\cs_new_protected:Npn \chemnum_sort_subcompounds:NNNnnNN #1#2#3#4#5#6#7
+ {
+ \seq_clear:N #6
+ \seq_clear:N #7
+ \bool_if:NF #1
+ {
+ \seq_map_inline:cn { g__chemnum_compound_#5_subcompounds_seq }
+ {
+ \seq_if_in:NnT #3 {##1}
+ {
+ \seq_put_right:Nn #6
+ { \chemnum_write_subcompound:NNnnn #1 #2 {#4} {#5} {##1} }
+ \bool_if:NTF #2
+ {
+ \seq_put_right:Nx #7
+ {
+ \chemnum_expandable_get_subcompound_property:nnn
+ {#5} {##1} {previous-number}
+ }
+ }
+ {
+ \seq_put_right:Nx #7
+ {
+ \chemnum_expandable_get_subcompound_property:nnn
+ {#5} {##1} {number}
+ }
+ }
+ }
+ }
+ }
+ }
+
+% #1: sub ID sequence
+% #2: sub ID sequence that holds the numbers rather than the IDs
+% #3: seq variable
+\cs_new_protected:Npn \chemnum_compress_subcompounds:NNN #1#2#3
+ {
+ \int_zero:N \l__chemnum_tmpa_int
+ \int_zero:N \l__chemnum_tmpb_int
+ \seq_clear:N \l__chemnum_tmpa_seq
+ \seq_clear:N #3
+ \seq_map_inline:Nn #2
+ {
+ \int_incr:N \l__chemnum_tmpa_int
+ \int_compare:nTF { \l__chemnum_tmpa_int = 1 }
+ { \seq_put_right:Nn \l__chemnum_tmpa_seq { 1 } }
+ {
+ \seq_put_right:Nx \l__chemnum_tmpa_seq
+ { \int_eval:n { ##1 - \l__chemnum_tmpb_int } }
+ }
+ \int_set:Nn \l__chemnum_tmpb_int { ##1 }
+ }
+ \int_zero:N \l__chemnum_tmpa_int
+ \int_set:Nn \l__chemnum_tmpb_int { \seq_count:N #2 }
+ \int_zero:N \l__chemnum_tmpc_int
+ \seq_map_inline:Nn \l__chemnum_tmpa_seq
+ {
+ \int_incr:N \l__chemnum_tmpa_int
+ \int_compare:nTF { \l__chemnum_tmpa_int = 1 }
+ {
+ \int_add:Nn \l__chemnum_tmpc_int { ##1 }
+ \seq_put_right:Nx #3 { \seq_item:Nn #1 { 1 } }
+ }
+ {
+ \int_compare:nTF { ##1 = 1 }
+ { \int_add:Nn \l__chemnum_tmpc_int { ##1 } }
+ {
+ \int_compare:nTF { \l__chemnum_tmpc_int > 2 }
+ {
+ \seq_put_right:NV #3 \l__chemnum_sep_sublist_range_tl
+ \seq_put_right:Nx #3
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int - 1 } }
+ \seq_put_right:NV #3 \l__chemnum_sep_sublist_two_tl
+ \seq_put_right:Nx #3
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int } }
+ }
+ {
+ \seq_get_right:NN #3 \l__chemnum_tmpa_tl
+ \tl_if_eq:VxF
+ \l__chemnum_tmpa_tl
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int - 1 } }
+ {
+ \seq_put_right:NV #3 \l__chemnum_sep_sublist_two_tl
+ \seq_put_right:Nx #3
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int - 1 } }
+ }
+ \seq_put_right:NV #3 \l__chemnum_sep_sublist_two_tl
+ \seq_put_right:Nx #3
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int } }
+ }
+ \int_set:Nn \l__chemnum_tmpc_int { 1 }
+ }
+ \int_compare:nT { \l__chemnum_tmpa_int = \l__chemnum_tmpb_int }
+ {
+ \seq_get_right:NN #3 \l__chemnum_tmpa_tl
+ \tl_if_eq:VxF
+ \l__chemnum_tmpa_tl
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int } }
+ {
+ \int_compare:nTF { \l__chemnum_tmpc_int > 2 }
+ { \seq_put_right:NV #3 \l__chemnum_sep_sublist_range_tl }
+ { \seq_put_right:NV #3 \l__chemnum_sep_sublist_last_two_tl }
+ \seq_put_right:Nx #3
+ { \seq_item:Nn #1 { \l__chemnum_tmpa_int } }
+ }
+ }
+ }
+ }
+ }
+
+% ----------------------------------------------------------------------------
+% the code level version of the main command:
+% #1: boolean: if true register compound but don't write the label
+% #2: boolean: if true only read compound
+% #3: options
+% #4: list of IDs
+\cs_new_protected:Npn \chemnum_cmpd:nnnn #1#2#3#4
+ {
+ \group_begin:
+ \keys_set_groups:nnn {chemnum} {list} {#3}
+ \seq_set_split:NVn
+ \l__chemnum_tmpa_seq
+ \l__chemnum_main_separator_tl
+ {#4}
+ \seq_remove_duplicates:N \l__chemnum_tmpa_seq
+ \chemnum_sort_main_labels:N \l__chemnum_tmpa_seq
+ \seq_clear:N \l__chemnum_tmpb_seq
+ \seq_map_inline:Nn \l__chemnum_tmpa_seq
+ {
+ \seq_put_right:Nn \l__chemnum_tmpb_seq
+ { \chemnum_single_compound:NNnn #1 #2 {#3} {##1} }
+ }
+ \bool_if:NTF #1 % starred call of \cmpd
+ { \seq_use:Nn \l__chemnum_tmpb_seq {} }
+ {
+ \seq_use:NVVV \l__chemnum_tmpb_seq
+ \l__chemnum_sep_list_two_tl
+ \l__chemnum_sep_list_more_tl
+ \l__chemnum_sep_list_last_two_tl
+ }
+ \group_end:
+ }
+
+% #1: first variable
+% #2: second variable
+% #3: main/sub separator
+% #4: complete label
+\cs_new_protected:Npn \chemnum_separate_main_sub:NNnn #1#2#3#4
+ {
+ \cs_set:Npn \__chemnum_remove_sub:w ##1#3##2 \q_stop
+ { \exp_not:n { ##1 } }
+ \cs_set:Npn \__chemnum_get_sub:w ##1#3##2#3##3 \q_stop
+ {
+ \tl_if_blank:nF {##2} { \exp_not:n { ##2 } }
+ }
+ \tl_set:Nx #1 { \__chemnum_remove_sub:w #4#3 \q_stop }
+ \tl_set:Nx #2 { \__chemnum_get_sub:w #4#3#3 \q_stop }
+ }
+\cs_generate_variant:Nn \chemnum_separate_main_sub:NNnn { NNV }
+
+% sorting and merging of the main label list:
+% #1: seq that holds the label list
+\cs_new_protected:Npn \chemnum_sort_main_labels:N #1
+ {
+ \prop_clear:N \l__chemnum_tmpa_prop
+ \seq_clear:N \l__chemnum_tmpb_seq
+ \seq_clear:N \l__chemnum_tmpc_seq
+ % build property list that holds entries of #1:
+ \seq_map_inline:Nn #1
+ {
+ \chemnum_separate_main_sub:NNVn
+ \l__chemnum_tmpa_tl % main part
+ \l__chemnum_tmpb_tl % sub part
+ \l__chemnum_compound_separator_tl
+ {##1}
+ \bool_if:NTF \l__chemnum_merge_list_bool
+ {
+ \prop_get:NVNTF \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ \l__chemnum_tmpc_tl
+ {
+ \prop_put:NVx \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ {
+ \exp_not:V \l__chemnum_tmpc_tl
+ \exp_not:V \l__chemnum_sub_separator_tl
+ \exp_not:V \l__chemnum_tmpb_tl
+ }
+ }
+ {
+ \prop_put:NVV \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ \l__chemnum_tmpb_tl
+ }
+ }
+ {
+ \prop_get:NVNTF \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ \l__chemnum_tmpc_tl
+ {
+ \prop_put:NVx \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ {
+ \exp_not:V \l__chemnum_tmpc_tl
+ \exp_not:V \l__chemnum_main_separator_tl
+ \exp_not:n {##1}
+ }
+ }
+ {
+ \prop_put:NVn \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ {##1}
+ }
+ }
+ }
+ % merge = true:
+ % \l__chemnum_tmpa_prop now holds all main labels with possible sublabel
+ % lists
+ % merge = false
+ % \l__chemnum_tmpa_prop now holds all main labels with all occurences of
+ % the respective main label as property
+ %
+ % build sequence that holds entries of #1 in order of already defined
+ % labels:
+ \seq_map_inline:Nn \g__chemnum_defined_compounds_seq
+ {
+ \bool_if:NTF \l__chemnum_merge_list_bool
+ {
+ \prop_get:NnNT \l__chemnum_tmpa_prop {##1} \l__chemnum_tmpa_tl
+ {
+ \tl_if_in:VVTF
+ \l__chemnum_tmpa_tl
+ \l__chemnum_sub_separator_tl
+ {
+ \seq_put_right:Nx \l__chemnum_tmpb_seq
+ {
+ \exp_not:n { ##1 }
+ \tl_if_blank:VF \l__chemnum_tmpa_tl
+ {
+ \exp_not:V \l__chemnum_compound_separator_tl
+ { \exp_not:V \l__chemnum_tmpa_tl }
+ }
+ }
+ }
+ {
+ \seq_put_right:Nx \l__chemnum_tmpb_seq
+ {
+ \exp_not:n { ##1 }
+ \tl_if_blank:VF \l__chemnum_tmpa_tl
+ {
+ \exp_not:V \l__chemnum_compound_separator_tl
+ \exp_not:V \l__chemnum_tmpa_tl
+ }
+ }
+ }
+ \seq_if_in:NnF \l__chemnum_tmpc_seq {##1}
+ { \seq_put_right:Nn \l__chemnum_tmpc_seq {##1} }
+ }
+ }
+ {
+ \prop_get:NnNT \l__chemnum_tmpa_prop {##1} \l__chemnum_tmpa_tl
+ {
+ \tl_if_in:VVTF
+ \l__chemnum_tmpa_tl
+ \l__chemnum_main_separator_tl
+ {
+ \seq_set_split:NVV \l__chemnum_tmpc_seq
+ \l__chemnum_main_separator_tl
+ \l__chemnum_tmpa_tl
+ \seq_map_inline:Nn \l__chemnum_tmpc_seq
+ { \seq_put_right:Nn \l__chemnum_tmpb_seq {####1} }
+ }
+ { \seq_put_right:NV \l__chemnum_tmpb_seq \l__chemnum_tmpa_tl }
+ }
+ }
+ }
+ % \l__chemnum_tmpb_seq now holds all labels that are already defined
+ % merge = true :
+ % the same \l__chemnum_tmpc_seq which only holds the /main/ labels
+ \bool_if:NTF \l__chemnum_merge_list_bool
+ {
+ \seq_map_inline:Nn #1
+ {
+ \chemnum_separate_main_sub:NNVn
+ \l__chemnum_tmpa_tl % main part
+ \l__chemnum_tmpb_tl % sub part
+ \l__chemnum_compound_separator_tl
+ {##1}
+ % check if existing main label is present, otherwise add entry
+ \seq_if_in:NVF \l__chemnum_tmpc_seq \l__chemnum_tmpa_tl
+ {
+ \prop_get:NVNT \l__chemnum_tmpa_prop
+ \l__chemnum_tmpa_tl
+ \l__chemnum_tmpc_tl
+ {
+ \seq_put_right:Nx \l__chemnum_tmpb_seq
+ {
+ \exp_not:V \l__chemnum_tmpa_tl
+ \tl_if_blank:VF \l__chemnum_tmpc_tl
+ {
+ \exp_not:V \l__chemnum_compound_separator_tl
+ \exp_not:V \l__chemnum_tmpc_tl
+ }
+ }
+ \seq_put_right:NV \l__chemnum_tmpc_seq \l__chemnum_tmpa_tl
+ }
+ }
+ }
+ }
+ {
+ \seq_map_inline:Nn #1
+ {
+ \seq_if_in:NnF \l__chemnum_tmpb_seq {##1}
+ { \seq_put_right:Nn \l__chemnum_tmpb_seq {##1} }
+ }
+ }
+ \seq_set_eq:NN #1 \l__chemnum_tmpb_seq
+ }
+
+% %-----------------------------------------------------------------------------%
+% % REPLACE TAG IN EPS PICTURE WITH LABEL
+% % works similar to \schemeref command of the chemscheme package
+% % \cmpdref-[<keyval>][<tag>]{<label name>}
+
+\cs_new_protected:Npn \__chemnum_set_psfrag_pos:nn #1#2
+ {
+ \tl_set:Nn \l__chemnum_psfrag_texpos_tl { #1 }
+ \tl_set:Nn \l__chemnum_psfrag_pspos_tl { #2 }
+ }
+
+\cs_new_protected:Npn \__chemnum_set_psfrag_local_pos:nn #1#2
+ {
+ \tl_set:Nn \l__chemnum_psfrag_local_texpos_tl { #1 }
+ \tl_set:Nn \l__chemnum_psfrag_local_pspos_tl { #2 }
+ }
+\cs_generate_variant:Nn \__chemnum_set_psfrag_local_pos:nn { VV }
+
+\cs_new_protected:Npn \__chemnum_psfrag:nnnn #1#2#3#4
+ { \psfrag { #1 } [ #2 ] [ #3 ] { #4 } }
+\cs_generate_variant:Nn \__chemnum_psfrag:nnnn { VVVx }
+
+% #1: boolean: if true only read label
+% #2: options
+% #3: label spec
+\cs_new_protected:Npn \chemnum_cmpd_replace:nnn #1#2#3
+ {
+ % place the label
+ % just in case it hasn't been declared:
+ \bool_if:nF {#1} {
+ \chemnum_cmpd:nnnn { \c_true_bool } { \c_false_bool } {#2} {#3}
+ }
+ % set specific replacement options
+ \keys_set_groups:nnn {chemnum} {replace} { replace=false, #2 }
+ \bool_if:nTF
+ {
+ \l__chemnum_compound_replace_auto_bool &&
+ \l__chemnum_compound_replace_auto_this_bool
+ }
+ {
+ \int_incr:N \l__chemnum_compound_replace_int
+ \tl_set:Nx \l__chemnum_compound_replace_tl
+ {
+ \exp_not:V \l__chemnum_compound_replace_tag_tl
+ \exp_not:V \l__chemnum_compound_replace_int
+ }
+ }
+ {
+ \tl_set_eq:NN
+ \l__chemnum_compound_replace_tl
+ \l__chemnum_compound_replace_tag_tl
+ \bool_set_true:N \l__chemnum_compound_replace_auto_this_bool
+ }
+ % replace in EPS, this must not be in a group:
+ \bool_if:NTF \l__chemnum_replace_local_bool
+ {
+ \__chemnum_psfrag:VVVx
+ \l__chemnum_compound_replace_tl
+ \l__chemnum_psfrag_local_texpos_tl
+ \l__chemnum_psfrag_local_pspos_tl
+ {
+ \group_begin:
+ \exp_not:V \l__chemnum_compound_replace_local_format_tl
+ \exp_not:n
+ { \chemnum_cmpd:nnnn { \c_false_bool } {#1} {#2} {#3} }
+ \group_end:
+ }
+ }
+ {
+ \__chemnum_psfrag:VVVx
+ \l__chemnum_compound_replace_tl
+ \l__chemnum_psfrag_texpos_tl
+ \l__chemnum_psfrag_pspos_tl
+ {
+ \group_begin:
+ \exp_not:V \l__chemnum_compound_replace_format_tl
+ \exp_not:n
+ { \chemnum_cmpd:nnnn { \c_false_bool } {#1} {#2} {#3} }
+ \group_end:
+ }
+ }
+ % clean up local options:
+ \keys_set_groups:nnn {chemnum} {replace} { replace=false }
+ \__chemnum_set_psfrag_local_pos:VV
+ \l__chemnum_psfrag_texpos_tl
+ \l__chemnum_psfrag_pspos_tl
+ \tl_set_eq:NN
+ \l__chemnum_compound_replace_local_format_tl
+ \l__chemnum_compound_replace_format_tl
+ }
+
+\NewDocumentCommand \replacecmpd {t+om}
+ { \chemnum_cmpd_replace:nnn {#1} {#2} {#3} }
+
+% ----------------------------------------------------------------------------
+% the user level version of the main command:
+\NewDocumentCommand \cmpd {st+O{}m}
+ { \chemnum_cmpd:nnnn {#1} {#2} {#3} {#4} }
+
+\NewDocumentCommand \refcmpd {O{}m}
+ { \chemnum_cmpd:nnnn { \c_false_bool } { \c_true_bool } {#1} {#2} }
+
+\NewDocumentCommand \labelcmpd {O{}m}
+ { \chemnum_cmpd:nnnn { \c_true_bool } { \c_false_bool } {#1} {#2} }
+
+\DeclareExpandableDocumentCommand \cmpdplain {m}
+ {
+ \chemnum_expandable_compound_start:n {#1}
+ \chemnum_expandable_compound_read:n {#1}
+ \chemnum_expandable_compound_finish:n {#1}
+ }
+
+\DeclareExpandableDocumentCommand \subcmpdplain {mm}
+ { \chemnum_expandable_subcompound_read:nn {#1} {#2} }
+
+\DeclareExpandableDocumentCommand \submaincmpdplain {mm}
+ {
+ \chemnum_expandable_compound_start:n {#1}
+ \chemnum_expandable_compound_read:n {#1}
+ \chemnum_expandable_subcompound_read:nn {#1} {#2}
+ \chemnum_expandable_compound_finish:n {#1}
+ }
+
+% ----------------------------------------------------------------------------
+\cs_new_protected:Npn \chemnum_init:nn #1#2
+ {
+ \group_begin:
+ % this is semantically wrong! The conflict: either I allow initiation
+ % to be set locally (which does not make sense, really) or I use wrong
+ % semantics at this very point in the package code...
+ \bool_set_false:N \g__chemnum_initiate_bool
+ \bool_set_false:N \g__chemnum_initiate_sub_bool
+ \chemnum_cmpd:nnnn { \c_true_bool } { \c_false_bool } {#1} {#2}
+ \group_end:
+ }
+
+\NewDocumentCommand \initcmpd {O{}m}
+ { \chemnum_init:nn {#1} {#2} }
+\@onlypreamble\cmpdinit
+
+% ----------------------------------------------------------------------------
+% resetting compound numbering
+\cs_new_protected:Npn \chemnum_reset_compounds:n #1
+ { \setcounter {cmpdmain} { \int_eval:n { #1 - 1 } } }
+
+\NewDocumentCommand \resetcmpd {O{1}}
+ { \chemnum_reset_compounds:n {#1} }
+
+% ----------------------------------------------------------------------------
+% language support:
+\DeclareTranslationFallback {chemnum-sep-two} {~and~}
+\DeclareTranslation {English} {chemnum-sep-two} {~and~}
+\DeclareTranslation {German} {chemnum-sep-two} {~und~}
+\DeclareTranslation {French} {chemnum-sep-two} {~et~}
+\DeclareTranslation {Spanish} {chemnum-sep-two} {~y~}
+\DeclareTranslation {Italian} {chemnum-sep-two} {~e~}
+\DeclareTranslation {Catalan} {chemnum-sep-two} {~i~}
+\DeclareTranslation {Portuguese} {chemnum-sep-two} {~e~}
+\DeclareTranslation {Dutch} {chemnum-sep-two} {~en~}
+\DeclareTranslation {Danish} {chemnum-sep-two} {~og~}
+\DeclareTranslation {Swedish} {chemnum-sep-two} {~och~}
+\DeclareTranslation {Finnish} {chemnum-sep-two} {~ja~}
+\DeclareTranslation {Norwegian} {chemnum-sep-two} {~og~}
+
+\DeclareTranslationFallback {chemnum-sep-last-two} {~and~}
+\DeclareTranslation {English} {chemnum-sep-last-two} {~and~}
+\DeclareTranslation {American} {chemnum-sep-last-two} {,~and~}
+\DeclareTranslation {British} {chemnum-sep-last-two} {~and~}
+\DeclareTranslation {German} {chemnum-sep-last-two} {~und~}
+\DeclareTranslation {French} {chemnum-sep-last-two} {~et~}
+\DeclareTranslation {Spanish} {chemnum-sep-last-two} {~y~}
+\DeclareTranslation {Italian} {chemnum-sep-last-two} {~e~}
+\DeclareTranslation {Catalan} {chemnum-sep-last-two} {~i~}
+\DeclareTranslation {Portuguese} {chemnum-sep-last-two} {~e~}
+\DeclareTranslation {Dutch} {chemnum-sep-last-two} {~en~}
+\DeclareTranslation {Danish} {chemnum-sep-last-two} {~og~}
+\DeclareTranslation {Swedish} {chemnum-sep-last-two} {~och~}
+\DeclareTranslation {Finnish} {chemnum-sep-last-two} {~ja~}
+\DeclareTranslation {Norwegian} {chemnum-sep-last-two} {~og~}
+
+% ----------------------------------------------------------------------------
+% TODO: add a warning for those options that can't be set with the setup
+% command, i.e., those belonging to the `compound' group
+\cs_new_protected:Npn \chemnum_setup:n #1
+ {
+ \keys_set_filter:nnn {chemnum} {compound,general} {#1}
+ \keys_set_groups:nnn {chemnum} {general} {#1}
+ }
+
+\NewDocumentCommand \setchemnum {m}
+ { \chemnum_setup:n {#1} }
+
+\tex_endinput:D
+
+% ----------------------------------------------------------------------------
+TODO:
+
+% ----------------------------------------------------------------------------
+new features in chemnum v1.0:
+- \cmpdplain{<id>} => reads label and writes it expandably without
+ formatting. It is not able to parse a list. Its sole purpose is usage in
+ pdfstrings (cf. \texorpdfstring{<tex>}{<pdfstring>}).
+- \refcmpd[<options>]{<id>} only reference a label, similar to \cmpdplain but
+ unexpandable and able to parse a list. The same as \cmpd+
+- \cmpdproperty, \subcmpdproperty
+- \newcmpdcounterformat
+- logging messages
+- \cmpdshowdef, \cmpdshowref, \subcmpdshowdef, \subcmpdshowref
+- some options are grouped `compound': only those can be set with \cmpd
+- sub label list is sorted
+- sub label list is compressed when option `compress=true' is used
+
+% ----------------------------------------------------------------------------
+HISTORY:
+2014/03/12 v1.0 - first published
+2014/05/30 v1.0a - bug fix: subcompounds can now be correctly referenced
+ before they're defined
+2014/06/02 v1.0b - bug fix: list of sublabels can now correctly be sorted and
+ compressed if referenced before they're defined
+2014/08/08 v1.1 - new option `replace-tag-nr'
+2015/05/13 v1.1a - fix bug in \replacecmpd
+2015/11/23 v1.1b - small adjustments in the property defining mechanism
+ - more meaningful error messages when unknown properties are
+ set
+2016/01/30 v1.1c - adapt to deprecation of expl3's \prop_get:Nn (=>
+ \prop_item:Nn)
+2016/04/14 v1.2 - changes to how compounds are saved to auxfile
+ - hyperref support: backlinks to first appearance of label
+
diff --git a/macros/latex/contrib/chemnum/chemnum_en.pdf b/macros/latex/contrib/chemnum/chemnum_en.pdf
new file mode 100644
index 0000000000..4f6a1d26e5
--- /dev/null
+++ b/macros/latex/contrib/chemnum/chemnum_en.pdf
Binary files differ
diff --git a/macros/latex/contrib/chemnum/chemnum_en.tex b/macros/latex/contrib/chemnum/chemnum_en.tex
new file mode 100644
index 0000000000..a5abd7365d
--- /dev/null
+++ b/macros/latex/contrib/chemnum/chemnum_en.tex
@@ -0,0 +1,1178 @@
+% arara: pdflatex: { shell: on }
+%! arara: pdflatex: { shell: on }
+% arara: biber
+% arara: pdflatex
+% arara: pdflatex
+\documentclass[load-preamble+,ngerman,british,american]{cnltx-doc}
+\usepackage[utf8]{inputenc}
+\usepackage{chemnum}
+\setcnltx{
+ package = chemnum ,
+ info = numbering of chemical compounds ,
+ authors = Clemens Niederberger ,
+ email = contact@mychemistry.eu ,
+ url = https://github.com/cgnieder/chemnum/ ,
+ add-cmds = {
+ chemnumshowdef,
+ chemnumshowref,
+ cmpd ,
+ initcmpd ,
+ labelcmpd ,
+ cmpdplain ,
+ cmpdproperty ,
+ cmpdref ,
+ replacecmpd ,
+ resetcmpd ,
+ setchemnum ,
+ cmpdshowdef ,
+ cmpdshowref ,
+ newcmpdcounterformat ,
+ subcmpdplain ,
+ submaincmpdplain ,
+ subcmpdproperty ,
+ subcmpdshowdef ,
+ subcmpdshowref ,
+ } ,
+ add-silent-cmds = {
+ arrow,
+ bottomrule,
+ ch,chemfig,chemname,
+ CNlabel,CNlabelnoref,CNlabelsub,CNlabelsubnoref,
+ CNref,CNrefsub,CNsubnoref,
+ compound,cs,
+ declarecompound,definesubmol,detokenize,
+ expandfull,expandtwice,
+ fcite,
+ includegraphics,
+ keyis,
+ marginnote, midrule,
+ NewDocumentCommand,
+ schemestart,schemestop,setatomsep,
+ theffbibliography, toprule
+ } ,
+ index-setup = { othercode=\footnotesize,level=\addsec },
+ makeindex-setup = { columns=3,columnsep=1em } ,
+ add-frame = false
+}
+\usepackage[artemisia]{textgreek}
+\activatechemgreekmapping{textgreek}
+
+\usepackage{chemformula}
+\setchemformula{format=\libertineLF}
+\usepackage{chemfig,relsize}
+\setatomsep{1.78500 em}
+\setbondstyle{line width = 0.06642 em}
+\renewcommand*\printatom[1]{\textsmaller{\ensuremath{\mathsf{#1}}}}
+
+\usepackage{array,booktabs}
+
+\usepackage{graphicx}
+
+\defbibheading{bibliography}[References]{\addsec{#1}}
+
+\usepackage{acro,accsupp}
+\acsetup{
+ short-format = \scshape ,
+ first-style = short
+}
+\DeclareAcronym{pdf}{
+ short = pdf ,
+ long = portable document format ,
+ pdfstring = PDF ,
+ accsupp = PDF
+}
+\DeclareAcronym{eps}{
+ short = eps ,
+ long = encapsulated postscript ,
+ pdfstring = EPS ,
+ accsupp = EPS
+}
+\DeclareAcronym{ps}{
+ short = ps ,
+ long = postscript ,
+ pdfstring = PS ,
+ accsupp = PS
+}
+\DeclareAcronym{id}{
+ short = id ,
+ long = identification key ,
+ pdfstring = ID ,
+ accsupp = ID
+}
+
+\begin{document}
+\selectlanguage{american}
+
+\section{License and Requirements}\label{sec:license-requirements}
+\license
+
+\chemnum\ requires the bundles \bnd{l3kernel}~\cite{bnd:l3kernel} and
+\bnd{l3packages}~\cite{bnd:l3packages}. It also requires the
+\pkg{translations} package~\cite{pkg:translations},
+\pkg{chemgreek}~\cite{pkg:chemgreek} and the \pkg{psfrag}~\cite{pkg:psfrag}
+package.
+
+\section{News}\label{sec:news}
+The \chemnum\ package has been my first attempt to create a comprehensive
+labeling package for chemical compounds. However, it had and has more than
+one weakness and its code was -- to be frank -- a mess. Version~1 is now a
+complete re-write of \chemnum\ where I tried to achieve several points:
+\begin{itemize}
+ \item A cleaner code internally.
+ \item A cleaner user interface, \ie, more user macros for different tasks, a
+ unified naming of the commands and a less redundant naming of the
+ options.
+ \item Extended functionality such as sorting and compressing of sublabel
+ lists and sorting and merging of main label lists.
+\end{itemize}
+
+Although the syntax seems more or less the same at first sight quite a number
+of changes have been made that make version~1 incompatible with version~0.
+While I thought a while about maintaining backwards compatibility version~0
+was known to be in an experimental stage where everything was allowed to be
+changed at any time. So users \emph{could} know there was a risk. I have a
+feeling that many users nevertheless didn't realize this and may be bothered
+by this incompatibility. So I am well aware that the update will
+inconvenience some users. However, since version~0 won't be updated any more
+it made more sense to make a breaking update once.
+
+The same is not true for version~1. The syntax and commands described in this
+manual will not be changed as easily and from this version on I will take care
+of backwards compatibility.
+
+For those people wanting to keep older versions: they are are still available
+from websites such as \website{ctanhg.scharrer-online.de} or
+\securewebsite{bitbucket.org/cgnieder/chemnum}. You can also email me for an
+older version.
+
+Many commands have got a new name! The most important ones are:
+\begin{itemize}
+ \item \cs*{cmpdref}; this is now called \cs{replacecmpd}.
+ \item \cs*{cmpdinit}; this is now called \cs{initcmpd}.
+ \item \cs*{cmpdreset}; this is now called \cs{resetcmpd}.
+ \item \cs*{cmpdsetup}; this is now called \cs{setchemnum}.
+\end{itemize}
+However, there are many more changes. Basically all options have new names
+and often do their thing slightly different from the way things have been
+before.
+
+Please note that this overall change does not mean that version~1 is version~0
+declared stable. It is very likely that version~1 will now have quite a
+number of bugs to be fixed and probably missing features, too. So I'd be very
+glad to receive feedback either on \chemnum's homepage
+\securewebsite{github.com/cgnieder/chemnum} or via email to
+\email{contact@mychemistry.eu}.
+
+\section{Overview over the Available Commands}\label{sec:overv-over-avail}
+
+This section lists all available commands with a brief description. Commands
+marked with \expandablesymbol\ are expandable in an \cs*{edef} like context.
+Most of the commands will be explained in a later section in more detail.
+
+\begin{commands}
+ \command{cmpd}[\sarg\code{+}\oarg{options}\marg{list of \acp{id}}]
+ The main command for creating and refering to compound labels. This
+ command is described in detail in section~\ref{sec:deta-comp-labels}. For
+ many people this will be the only command they need.
+ \command{refcmpd}[\oarg{options}\marg{\ac{id}}]
+ This command only refers to an already defined label but does not define a
+ label itself. This is an alias of \cs{cmpd}\code{+}.
+ \command{labelcmpd}[\oarg{options}\marg{\ac{id}}]
+ This command only defines a new label but does not print it. This is an
+ alias of \cs{cmpd}\sarg.
+ \expandable\command{cmpdplain}[\marg{\ac{id}}]
+ Reads a label and writes it expandably without formatting. It is not able
+ to parse a list. Its sole purpose is usage in \ac{pdf} strings
+ (\cf\ \cs*{texorpdfstring}\marg{\TeX}\marg{\ac{pdf} string}). This
+ command is described in section~\ref{sec:deta-comp-labels}.
+ \expandable\command{subcmpdplain}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Reads a sublabel and writes it expandably without formatting. It is not
+ able to parse a list. Its sole purpose is usage in pdfstrings
+ (\cf\ \cs*{texorpdfstring}\marg{\TeX}\marg{\ac{pdf} string}). This
+ command is described in section~\ref{sec:deta-comp-labels}.
+ \expandable\command{submaincmpdplain}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Reads a main label and a sublabel and writes them expandably without
+ formatting. It is not able to parse a list. Its sole purpose is usage in
+ \ac{pdf} strings (\cf\ \cs*{texorpdfstring}\marg{\TeX}\marg{\ac{pdf}
+ string}). This command is described in
+ section~\ref{sec:deta-comp-labels}.
+ \command{replacecmpd}[\code{+}\oarg{options}\marg{\ac{id}}]
+ A command for replacing tags in \ac{eps} files, see
+ section~\ref{sec:replacing-tags-aceps} for details.
+ \command{initcmpd}[\oarg{options}\marg{list of \acp{id}}]
+ Initiate compound labels. This command can only be used in the preamble.
+ It is desribed in section~\ref{sec:deta-comp-labels}.
+ \expandable\command{cmpdproperty}[\marg{\ac{id}}\marg{property}]
+ Get the associated property \meta{property} of compound
+ \meta{\ac{id}}. This command is described in
+ section~\ref{sec:deta-comp-labels}.
+ \expandable\command{subcmpdproperty}[\marg{main \ac{id}}\marg{sub
+ \ac{id}}\marg{property}]
+ Get the associated property \meta{property} of subcompound \meta{sub
+ \ac{id}} of compound \meta{main \ac{id}}. This command is described
+ in section~\ref{sec:deta-comp-labels}.
+ \command{newcmpdcounterformat}[\marg{name}\marg{command}]
+ Makes the label format \meta{name} known to \chemnum. \meta{command}
+ needs to be a command that takes an integer number as argument and should
+ return a formatted version of it. In practice you should not need to use
+ this command as the most common formats already are defined. This command
+ is described in section~\ref{sec:change-numbering}.
+ \command{resetcmpd}[\oarg{integer}]\Default{1}
+ Reset the numbering for main compound labels to start with \meta{integer}
+ again. This is the same as
+ \cs*{setcounter}\Marg{cmpdmain}\Marg{$\text{\meta{integer}}-1$}. The
+ command is described in section~\ref{sec:reset-numbering}.
+ \command{cmpdshowdef}[\marg{\ac{id}}]
+ Internal command used to display \meta{\ac{id}} of a newly defined compound
+ label when the option \option{show-keys} is used. The command is
+ described in section~\ref{sec:debugg-inform}.
+ \command{cmpdshowref}[\marg{\ac{id}}]
+ Internal command used to display \meta{\ac{id}} of a referencing compound
+ label when the option \option{show-keys} is used. The command is
+ described in section~\ref{sec:debugg-inform}.
+ \command{subcmpdshowdef}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Internal command used to display \meta{main \ac{id}} and \meta{sub
+ \ac{id}} of a newly defined subcompound label when the option
+ \option{show-keys} is used. The command is described in
+ section~\ref{sec:debugg-inform}.
+ \command{subcmpdshowref}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Internal command used to display \meta{main \ac{id}} and \meta{sub
+ \ac{id}} of a referencing subcompound label when the option
+ \option{show-keys} is used. The command is described in
+ section~\ref{sec:debugg-inform}.
+\end{commands}
+
+\section{Numbering Compounds}\label{sec:numbering-compounds}
+\subsection{Main Command}\label{sec:main-command}\resetcmpd
+
+The main command of this package is this one:
+\begin{commands}
+ \command{cmpd}[\marg{\ac{id}}]
+ When \meta{\ac{id}} is used the first time, the label is created, saved
+ (= declared) and printed. Each further use just prints the label.
+\end{commands}
+
+\begin{example}
+ Compounds \cmpd{a} and \cmpd{b} are declared and can be used any time:
+ \cmpd{a}. No pre-declaring is necessary. Compounds like \cmpd{c} are
+ numbered in the order they appear in the text.\par
+ Once again: \cmpd{b}, \cmpd{a}, \cmpd{c}.
+\end{example}
+
+If it is necessary to declare a compound without printing the label it is
+possible with
+\begin{commands}
+ \command{cmpd}[\sarg\marg{\ac{id}}]
+ Declare the label \meta{\ac{id}} but don't print anything.
+\end{commands}
+
+\begin{example}
+ The hidden version\cmpd*{d} declares the label but doesn't print anything.
+ The next \cmpd{e} continues to count with the next number. With \cmpd{d}
+ the label can be used, of course.
+\end{example}
+
+You can pretty much use what you like for a label name except for the
+separator symbols (see also section~\ref{sec:chang-input-mark}). Be careful
+with blanks though! Leading and trailing spaces are ignored, spaces at other
+places are not. It's probably best not to use blanks in label names at all.
+
+\begin{example}[add-sourcecode-options={showspaces=true}]
+ \cmpd{aa}, \cmpd{aa }, \cmpd{ aa}, and \cmpd{ aa } all have the same label.
+ Likewise \cmpd{a a}, \cmpd{a a }, \cmpd{ a a}, \cmpd{ a a }, \cmpd{a a},
+ \cmpd{a a }, \cmpd{ a a}, and \cmpd{ a a }.
+\end{example}
+
+\subsection{Sublabels}\label{sec:sublabel}
+If you want a label like \cmpd{a.one}, you need to use the following syntax:
+\begin{commands}
+ \command{cmpd}[\Marg{\meta{main \ac{id}}.\meta{sub \ac{id}}}]
+ \meta{main \ac{id}} is the main name which stays the same, \meta{sub
+ \ac{id}} varies. This syntax means that the point \code{.}
+ \emph{cannot} be a part of \meta{main \ac{id}} or \meta{sub \ac{id}}
+ (except if you enclose the respective \ac{id} in braces). Instead of the
+ point you also can use another symbol, see
+ section~\ref{sec:chang-input-mark} for details.
+\end{commands}
+
+\begin{example}
+ \cmpd{f.one} and \cmpd{f.two} are related, as are \cmpd{g.one} and
+ \cmpd{g.two}. Of course these labels can be used again: \cmpd{g.two} and
+ \cmpd{f.one}.
+\end{example}
+
+This also works if the main name has already been used.
+\begin{example}
+ \cmpd{a} and its variants \cmpd{a.one} and \cmpd{a.two}
+\end{example}
+
+The same way the main name of combined labels can be used solely.
+\begin{example}[side-by-side]
+ \cmpd{f} and \cmpd{g}
+\end{example}
+
+How you can create a combined label like \cmpd{f.{one,two}} is explained in
+section~\ref{sec:lists-rang-subl}.
+
+\subsection{Lists}\label{sec:lists}
+There is actually more to the \cs{cmpd} command. It also prints lists of
+labels. The right description would be something like:
+\begin{commands}
+ \command{cmpd}[\marg{(possibly comma separated list of) label name(s)}]
+ Treats each entry of the list as described before.
+\end{commands}
+This means that with default settings the comma can't be part of the label
+name unless hidden in braces. As separator another symbol can be used, too,
+see section~\ref{sec:chang-input-mark} for details.
+
+\begin{example}
+ More than one label can be put inside \cs{cmpd}, separated by commas. Then
+ a list like \cmpd{a, b, c, e, g.two} is printed.
+\end{example}
+The Harvard comma (see section~\ref{sec:lang-depend-sett}) in \code{, and}
+between \cmpd{e} and \cmpd{g.two} suggests that there are options to customize
+the list, see section~\ref{sec:formatting-labels} for more on this.
+
+The option \option{merge} has an effect on lists: if it is set to \code{true}
+multiple occurences of a main label with a possibly different set of sublabels
+are merged into one label:
+
+\begin{example}
+ With \keyis{merge}{true} a list like \cmpd{c,g.two,a,g.{one,four}} looks
+ like \cmpd[merge=true]{c,g.two,a,g.{one,four}}.
+\end{example}
+
+\subsection{Lists and Ranges of Sublabels}\label{sec:lists-rang-subl}
+Sometimes it can be useful to display a label with a list or a range of
+sublabels. Suppose you have compounds
+\cmpd{q.one,q.two,q.three,q.four,q.five} which for example differ in their
+substituents. It can be useful to refer to them all at once:
+
+The syntax is rather intuitive -- you just input a list of sublabels:
+\begin{example}
+ \setchemnum{compress=false}%
+ list of labels: \cmpd{q.one, q.two, q.three, q.four, q.five}\par
+ label with list of sublabels: \cmpd{q.{one,two,three,four,five}}
+\end{example}
+Since the sublist is input with a comma in the default setting you have to
+put them into braces. If you add a list of sublabels to a main label they
+will always be printed in the order the sublabels have been declared and not
+in the order they're input in the list:
+
+\begin{example}
+ \setchemnum{compress=false}%
+ compare \cmpd{q.{one,two,three,four,five}}
+ with \cmpd{q.{five,four,three,two,one}} and
+ \cmpd{q.{three,four,one,five,two}}
+\end{example}
+
+Using this syntax you also can create ranges of sublabels. For this you
+enable the option \option{compress}. Or rather: this is the default setting.
+If you don't want compressed sublabels you have to disable the option like in
+the previous examples.
+\begin{example}[side-by-side]
+ \cmpd{q.{two,four,three}} \par
+ \cmpd{q.{five,one,three,four}} \par
+ \cmpd{q.{one,three,five,two}}
+\end{example}
+
+Obviously you can't use a comma as part of a sublabel name. You can change
+the input marker, though. See section~\ref{sec:overv-over-avail-1} for
+available options.
+
+Sometimes it can be useful to get only the sublabel without the main label.
+This is achieved with the option \option{sub-only}:
+
+\begin{example}
+ % uses packages `chemfig', `chemformula' and `booktabs'
+ \chemname{\chemfig{*6(=-=-(-R)=-)}}{\cmpd{benzene.{H,Me,OH,NH2}}}
+ \quad
+ \begin{tabular}{lll}
+ \toprule
+ & \ch{-R} & Name \\
+ \midrule
+ \cmpd[sub-only]{benzene.H} & \ch{-H} & Benzene \\
+ \cmpd[sub-only]{benzene.Me} & \ch{-CH3} & Toluene \\
+ \cmpd[sub-only]{benzene.OH} & \ch{-OH} & Phenol \\
+ \cmpd[sub-only]{benzene.NH2} & \ch{-NH2} & Phenylamine (Aniline) \\
+ \bottomrule
+ \end{tabular}
+\end{example}
+
+\subsection{Usage in Section Headings and Captions}\label{sec:usage-sect-head}
+If you use labels in section headings or captions you will want to use either
+\cs{refcmpd} or \cs{cmpd}\code{+} (they are completely equivalent). Otherwise
+the corresponding labels will be declared when the section headings appear in
+the table of contents or maybe the page header. This would mess up the
+desired order of the compound numbers.
+
+\section{Details on Compound Labels}\label{sec:deta-comp-labels}
+\subsection{How Things Work}\label{sec:how-things-work}
+
+When you call \cs{cmpd} with a new label three things happen:
+\begin{itemize}
+ \item The new label gets initiated. This is nothing more than adding it to
+ an internal list. The purpose of this is explained in
+ section~\ref{sec:initiating-labels}.
+ \item The new label gets declared. This means that a number of internal
+ commands are defined. Amongst other things they hold a number of
+ properties associated with the corresponding label. Those properties are
+ explained in more detail in section~\ref{sec:prop-comp-labels}. The
+ necessary information of the label are also written to the \code{aux}
+ file.
+ \item The label gets printed.
+\end{itemize}
+
+Since new labels are declared when \cs{cmpd} is first used using it in section
+titles that are written to the table of contents may to lead to wrong
+numbering. In order to avoid this compound label information is written to
+the \code{aux} file. The command \cs{refcmpd}\oarg{options}\marg{\ac{id}}
+only reads those information but does not declare a label. There is also a
+command which does the opposite: it declares a label if it hasn't been
+declared before but will not print the corresponding label:
+\cs{labelcmpd}\oarg{options}\marg{\ac{id}}. Both commands have shortcut
+versions: \cs{cmpd}\code{+} is the same as \cs{refcmpd}, \cs{cmpd}\sarg\ is
+the same as \cs{labelcmpd}.
+
+Another command available is \cs{cmpdplain}\marg{\ac{id}}. This command is
+similar to \cs{refcmpd}. There are a few important differences, though:
+\cs{cmpdplain} does \emph{not} take a list of labels as argument. It also is
+\emph{not} able to interpret sublabels. \cs{cmpdplain} does not format the
+label with whatever format has been declared. And last but not least: it is
+expandable. This means it can be used to get labels in \ac{pdf} bookmarks.
+It's equivalent \cs{subcmpdplain}\marg{main \ac{id}}\marg{sub \ac{id}} does
+the same for sublabels. A third sibling, \cs{submaincmpdplain}\marg{main
+ \ac{id}}\marg{sub \ac{id}}, writes both the main and the sublabel.
+
+I should also say a few words on lists of labels. A usage like
+\verbcode+\cmpd{a,b,c,e}+ will be printed as a \emph{sorted} list. The order
+will be in the order \emph{in which the labels have been defined}. The above
+usage gives \cmpd{a,b,c,e}. The same thing holds for the order of sublabels
+of a compound: the usage \verbcode+\cmpd{q.{one,three,four,two,five}}+ gives
+\cmpd{q.{one,three,four,two,five}} or
+\cmpd[compress=false]{q.{one,three,four,two,five}} (depending on the
+\option{compress} option). Be careful if you have a list with several
+occurences of the same main label but with different sublabels: the labels
+will not be sorted depending on their sublabels.
+\begin{example}[side-by-side]
+ \cmpd{q.five,q.two} \par
+ \cmpd{q.two,q.five} \par
+ \cmpd[merge]{q.five,q.two} \par
+ \cmpd{q.five,b,r,q.two,a}
+\end{example}
+
+A last thing on lists: duplicate entries (\ie, \emph{exact} duplicates) will
+be removed.
+
+\subsection{Properties of Compound Labels}\label{sec:prop-comp-labels}
+
+Every label has a number of properties. The first property is of course its
+\ac{id} which identifies the label. The other properties are:
+\begin{description}
+ \item[number] An internal unique number.
+ \item[counter-representation] The counter representation associated with the
+ label. This is the actual label that get's printed.
+ \item[pre-label-code] Code to be inserted before the label is printed.
+ \item[post-label-code] Code to be inserted after the complete label is
+ printed.
+ \item[pre-main-label-code] Code to be inserted before the \emph{main} label
+ is printed.
+ \item[post-main-label-code] Code to be inserted after the \emph{main} label
+ is printed.
+ \item[label-format] Formatting commands for the label. This is most likely
+ something like \cs*{bfseries}. This is the \emph{default} format. Unlike
+ the other properties it can be changed locally with the \option{format}
+ option on a case by case basis.
+\end{description}
+
+The properties for a label are set the when a label is declared for the first
+time.
+
+\begin{commands}
+ \expandable\command{cmpdproperty}[\marg{\ac{id}}\marg{property}]
+ Get the associated property \meta{property} of compound \meta{\ac{id}}. This
+ command is expandable.
+\end{commands}
+
+\begin{example}
+ \def\expandfull{\romannumeral-`0}%
+ \def\expandtwice{\detokenize\expandafter\expandafter\expandafter}%
+ \ttfamily
+ number: \cmpdproperty{benzene}{number}\par
+ counter-representation: \cmpdproperty{benzene}{counter-representation}\par
+ pre-label-code: \cmpdproperty{benzene}{pre-label-code}\par % empty
+ post-label-code: \cmpdproperty{benzene}{post-label-code}\par % empty
+ label-format: \expandtwice{\expandfull\cmpdproperty{benzene}{label-format}}
+\end{example}
+
+Similarly a sublabel has associated properties. Additionally to the obvious
+ones -- its \ac{id} and the \ac{id} the main label it belongs to -- these
+are
+\begin{description}
+ \item[number] An internal unique number.
+ \item[counter-representation] The counter representation associated with the
+ label. This is the actual label that get's printed.
+\end{description}
+
+\begin{commands}
+ \expandable\command{subcmpdproperty}[\marg{main \ac{id}}\marg{sub
+ \ac{id}}\marg{property}]
+ Get the associated property \meta{property} of subcompound \meta{sub
+ \ac{id}} of compound \meta{main \ac{id}}. This command is
+ expandable.
+\end{commands}
+
+\begin{example}
+ \ttfamily
+ main-compound: \subcmpdproperty{benzene}{OH}{main-compound}\par
+ number: \subcmpdproperty{benzene}{OH}{number}\par
+ counter-representation: \subcmpdproperty{benzene}{OH}{counter-representation}
+\end{example}
+
+If you compile with the \keyis{log}{verbose} all properties of a label are
+listed in the log when it is declared. This will typically look like this:
+
+\begin{sourcecode}
+ .................................................
+ . chemnum info: defined new compound:
+ . ID = a
+ . internal number = 1
+ . label = A
+ . pre label code =
+ . post label code =
+ . pre main label code =
+ . post main label code =
+ . format = \bfseries
+ .................................................
+\end{sourcecode}
+
+\subsection{Initiating Labels}\label{sec:initiating-labels}
+Initiating labels is not the same as declaring them although it happens
+simultaneously. When a label is \emph{initiated} its \ac{id} is added to an
+internal list. When a label is \emph{declared} all of its properties and
+associated macros are defined. Initiating can serve two purposes:
+\begin{enumerate}
+ \item It can help in keeping track of defined labels; if you set the option
+ \option{init} \chemnum\ will either issue a warning or an error (depending
+ on the actual setting you chose) if a label is used (and hence probably
+ declared) \emph{that hasn't been initiated}. This can also help in
+ detecting typos in label names.
+ \item Since the labels are declared in the preamble you don't need to worry
+ about a label erroneously being declared in the table of contents. This
+ means the variants \cs{cmpd}\sarg\ and \cs{cmpd}\code{+} shouldn't be
+ needed.
+\end{enumerate}
+
+Initiating is done via the command \cs{initcmpd}:
+\begin{sourcecode}
+ \initcmpd{a,b,c,d}
+\end{sourcecode}
+You simply use all \acp{id} you want to use like you would use them in
+\cs{cmpd}. \cs{initcmpd} also has an optional argument that allows you to set
+options for those labels. Legal options are the same as for \cs{cmpd}.
+
+Remember: \cs{initcmpd} will both initiate the labels \emph{and} declare the
+labels!
+
+\section{Overview over the Available Options}\label{sec:overv-over-avail-1}
+% Except for the \option{version} option
+All of the following options are either
+set as options to \cs{cmpd} or \cs{initcmpd} directly or via
+\cs{setchemnum}\marg{options}, each time as a comma separated list of
+key/value pairs. Options that can only be set via \cs{setchemnum} are marked
+with \module{general}, those that only have an effect when used with \cs{cmpd} and
+friends are marked with \module{cmpd}. Those marked with \module{both} can
+be set either way. The options affecting the compounds are further divided in
+two classes: I named them global \module*{(g)} and local \module*{(l)}. Options
+from the global class are set when a label is declared the first time and then
+are a fixed property of the corresponding label. Options from the local class
+can be changed at each instance of a label and will then only be active for
+the one instance.
+
+A few of the options only have an effect when used with the \cs{replacecmpd}
+command. They are marked with \module{replace}.
+
+\begin{options}
+ \keyval{counter-within}{counter}\Module{general}
+ Reset the compound numbers when \meta{counter} is stepped.
+ \keychoice{counter-format}{arabic,alph,Alph,roman,Roman,greek,Greek}%
+ \Module{both (g)}\Default{arabic}
+ The format of the number associated with the main compounds.
+ \keychoice{sub-counter-format}{arabic,alph,Alph,roman,Roman,greek,Greek}%
+ \Module{both (g)}\Default{alph}
+ The format of the number associated with the sub compounds.
+ \keybool{compress}\Module{both (l)}\Default{true}
+ If set to true a list of sublabels is compressed, \ie,
+ \cmpd[compress=false]{q.{one,three,four,five}} becomes
+ \cmpd{q.{one,three,four,five}}.
+ \keybool{merge}\Module{both (l)}\Default{false}
+ If set to true a list of labels is merged, \ie,
+ ``\cmpd{q.five,a,q.two}'' becomes ``\cmpd[merge=true]{q.five,a,q.two}''.
+ \keyval{pre-label-code}{code}\Module{cmpd (g)}\Default
+ Code to be inserted before a label.
+ \keyval{post-label-code}{code}\Module{cmpd (g)}\Default
+ Code to be inserted after a label.
+ \keyval{main-sub-sep}{code}\Module{both (l)}\Default{.}
+ The separator symbol that is used in \cs{cmpd} to separate the \meta{main
+ \ac{id}} from a \meta{sub \ac{id}}.
+ \keyval{format}{formatting commands}\Module{both (l)}\Default{\cs*{bfseries}}
+ The default format of the labels.
+ \keyval{list-label-sep}{code}\Module{both (l)}\Default{,}
+ The separator that is used to separate different \meta{main \acp{id}} in
+ \cs{cmpd}.
+ \keyval{sub-list-label-sep}{code}\Module{both (l)}\Default{,}
+ The marker that is used to split an input list of sublabels.
+ \keyval{list-sep-two}{code}%
+ \Module{both (l)}\Default{\visualizespaces{\GetTranslation{chemnum-sep-two}}}
+ The output separator between labels in a list that contains of two items.
+ \keyval{list-sep-more}{code}\Module{both (l)}\Default{\visualizespaces{, }}
+ The output separator between labels in a list that contains of more than
+ two items.
+ \keyval{list-sep-last-two}{code}%
+ \Module{both (l)}\Default{\visualizespaces{\GetTranslation{chemnum-sep-last-two}}}
+ The output separator between the last two labels in a list that contains
+ of more than two items.
+ \keybool{sub-only}\Module{cmpd (l)}\Default{false}
+ If true the command \cs{cmpd} will only print sublabels but no main
+ labels.
+ \keybool{sub-all}\Module{cmpd (l)}\Default{false}
+ If true the command \cs{cmpd} will print all sublabels belonging to the
+ corresponding main label.
+ \keyval{sub-list-sep-two}{code}\Module{both (l)}\Default{,}
+ The output separator between labels in a sublist that contains of two
+ items.
+ \keyval{sub-list-sep-more}{code}\Module{both (l)}\Default{,}
+ The output separator between labels in a sublist that contains of more
+ than two items.
+ \keyval{sub-list-sep-last-two}{code}\Module{both (l)}\Default{,}
+ The output separator between the last two labels in a sublist that
+ contains of more than two items.
+ \keyval{sub-list-sep-range}{code}\Module{both (l)}\Default{--}
+ The output separator between two labels in a sublist denoting a range.
+ This is only used when the option \option{compress} is active.
+ \keybool{replace-auto}\Module{general}\Default{true}
+ When set to true this adds an incremented integer to the replacement tag.
+ \keyval{replace-tag}{text}\Module{general}\Default{TMP}
+ The default replacement tag.
+ \keyval{replace-tag-nr}{int}\Module{general}\Default{1}
+ The\sinceversion{1.1} next number used by \cs{replacecmpd} when the
+ default tag is used.
+ \keyval{tag}{text}\Module{replace}\Default{TMP\meta{number}}
+ The local replacement tag. \meta{number} is incremented by one at each
+ use and starts with \code{1}. The starting number can be changed with the
+ option \option{replace-tag-nr}. The increment happens locally.
+ \keyval{replace-style}{code}\Module{general}\Default{\cs*{sffamily}}
+ Additional \TeX\ code that it placed before the \cs{cmpd} command in the
+ replacement.
+ \keyval{style}{code}\Module{replace}\Default{\cs*{sffamily}}
+ Local additional \TeX\ code that it placed before the \cs{cmpd} command in
+ the replacement.
+ \keychoice{replace-pos}{\marg{\TeX\ pos}\marg{\ac{ps}
+ pos}}\Module{general}\Default{bb}
+ Options for \pkg{psfrag}'s \cs{psfrag}.
+ \keychoice{pos}{\marg{\TeX\ pos}\marg{\ac{ps}
+ pos}}\Module{replace}\Default{bb}
+ Local options for \pkg{psfrag}'s \cs{psfrag}.
+ \keychoice{init}{\default{true},main,false,strict,main-strict}%
+ \Module{general}\Default{false}
+ Determines how labels have to be initiated. \code{false} means that
+ labels are initiated when they're used the first time in the text.
+ \code{true} means that labels should be initiated in the preamble with
+ \cs{initcmpd}. \code{main} is the same as \code{true} but only for main
+ labels. \code{strict} means that if an un-initiated label is used an
+ error is thrown. \code{main-strict} is the same as \code{strict} but only
+ for main labels.
+ \keychoice{log}{\default{true},false,silent,verbose}\Module{general}\Default{false}
+ Determines how the declaration of the labels will be logged. \code{false}
+ means that no information is written to the \code{.log} file. \code{true}
+ means that basic information is written to the \code{.log} file when a
+ label or a sublabel is declared. \code{silent} is an alias of
+ \code{true}. \code{verbose} means that detailed information is written to
+ the \code{.log} file when a label or a sublabel is declared.
+ \keychoice{show-keys}{\default{true},false,def,ref}\Module{general}\Default{false}
+ This option will write visual hints when a label is defined (choices
+ \code{true} or \code{def}) or when a label is referenced (choices
+ \code{true} or \code{ref}).
+ \keybool{hyperlinks}\Module{general}\Default{false}
+ \sinceversion{1.2}When package \pkg{hyperref} is loaded and this option is
+ set to \code{true} then each main label links back to the first time it
+ has been used (\ie, it has been labelled \emph{and} printed).
+\end{options}
+
+\section{The Counter Settings}\label{sec:counter-settings}
+The default setting for main labels is arabic numbering which is the most
+common use case for compound labels. There are however cases when you might
+want a different numbering. The numbering also is not reset in a document. I
+have heard of cases where this might be desirable, though. This section will
+tell you how you can achieve those things.
+
+\subsection{Change the Numbering}\label{sec:change-numbering}
+
+The counter representation used for the main and the sublabels can be changed
+using the following options:
+\begin{options}
+ \keychoice{counter-format}{arabic,alph,Alph,roman,Roman,greek,Greek}%
+ \Module{general}\Default{arabic}
+ The format of the number associated with the main compounds.
+ \keychoice{sub-counter-format}{arabic,alph,Alph,roman,Roman,greek,Greek}%
+ \Module{general}\Default{alph}
+ The format of the number associated with the sub compounds.
+\end{options}
+
+Those options can be set globally with \cs{setchemnum} or localized for the
+single compounds.
+\begin{example}[side-by-side]
+ \cmpd[counter-format=Alph]{Alpha} and
+ \cmpd[counter-format=greek]{greek}
+\end{example}
+
+While it may not be necessary very often to change the default setting one
+could image cases where it makes sense, \eg, Greek sublabels for the anomers
+of a carbohydrate.
+\begin{example}
+ % this example uses the `chemfig' package
+ \definesubmol{r}{(-[4]H)(-[0]OH)}
+ \definesubmol{l}{(-[0]H)(-[4]HO)}
+ \labelcmpd[sub-counter-format=greek]{glucose.{alpha,beta}}
+ \labelcmpd{glucose.chain}
+ \centering
+ \schemestart
+ \small\chemfig{
+ ?(-[:-170]HO)
+ -[:-50](-[:170]HO)
+ -[:10](-[:-55,0.7]OH)
+ -[:-10](-[6,0.8]OH)
+ -[:130]O-[:-170]?(-[:150,0.7]-[2,0.7]OH)
+ }
+ \arrow(alpha--chain){<=>}
+ \small\chemfig{[6]O=^[5]-!r-!l-!r-!r--[7]OH}
+ \arrow(--beta){<=>}
+ \small\chemfig{
+ ?(-[:-170]HO)
+ -[:-50](-[:170]HO)
+ -[:10](-[:-55,0.7]OH)
+ -[:-10](-[:10]OH)(-[6,,,,draw=none]\vphantom{OH})
+ -[:130]O-[:-170]?(-[:150,0.7]-[2,0.7]OH)
+ }
+ \arrow(@chain--chainlabel){0}[-90,.2] \cmpd{glucose.chain}
+ \arrow(@chainlabel--){0}[,2.5] \cmpd{glucose.beta}
+ \arrow(@chainlabel--){0}[180,2.3] \cmpd{glucose.alpha}
+ \schemestop
+\end{example}
+
+Should it ever be necessary to use another kind of counter representations
+than the ones already provided they can be added with this command:
+\begin{commands}
+ \command{newcmpdcounterformat}[\marg{name}\marg{code}]
+ Makes the label format \meta{name} known to \chemnum. \meta{code}
+ needs to end with a command that takes an integer number as mandatory
+ argument and should return a formatted version of it.
+\end{commands}
+The \code{arabic} and \code{alph} counter settings for example could have been
+defined like this:
+\begin{sourcecode}
+ \newcmpdcounterformat{arabic}{\@arabic}
+ \newcmpdcounterformat{alph} {\@alph}
+\end{sourcecode}
+This is actually not true: since \chemnum\ is written in expl3 the
+corresponding \cs*{int\_to\_\meta{\ldots}} functions have been used.
+
+Although the name of the command suggests otherwise it can be used to
+overwrite the default definitions.
+
+\subsection{Reset the Numbering}\label{sec:reset-numbering}
+
+There are cases when it actually might make sense to reset the counting of the
+compound labels. For this you can use this command:
+\begin{commands}
+ \command{resetcmpd}[\oarg{integer}]\Default{1}
+ Reset the numbering for main compound labels to start with \meta{integer}
+ again. This is the same as
+ \cs*{setcounter}\Marg{cmpdmain}\Marg{$\text{\meta{integer}}-1$} which
+ means the change is global!
+\end{commands}
+
+Be careful, though. You might end up with the same number for different
+compounds:
+\begin{example}
+ \resetcmpd The numbering starts with 1 again: \cmpd{h,i,j}, but:
+ two compounds with the same label: \cmpd{a,h}
+\end{example}
+
+\section{Formatting Labels}\label{sec:formatting-labels}
+
+As you will have noticed by now labels are typeset with a bold face with the
+default setting of \chemnum. This can be changed:
+\begin{options}
+ \keyval{format}{formatting commands}\Module{both (l)}\Default{\cs*{bfseries}}
+ The default format of the labels.
+\end{options}
+
+This options works in two ways: it sets the default format that is picked up
+by a compound label when it is defined. When you change it later already
+defined labels dont change:
+\begin{example}[side-by-side]
+ \setchemnum{format=\itshape}
+ \cmpd{a,b} and \cmpd{new}
+\end{example}
+
+If it is applied directly to the \cs{cmpd} command it changes the formatting
+for this usage of the command only, regardless if the label is new or not:
+\begin{example}[side-by-side]
+ \cmpd[format=\itshape]{a,b} vs
+ \cmpd{a,b}
+\end{example}
+
+There is more that you can do. Maybe you want to enclose labels in
+parentheses?
+\begin{example}
+ \cmpd[pre-label-code=(,post-label-code=)]{x, y, z.one }
+\end{example}
+Please note that these options only have an effect for \emph{newly defined}
+labels since they belong to a label's properties.
+
+Other options are the customization of the list separators:
+\begin{options}
+ \keyval{list-sep-two}{code}%
+ \Module{general}\Default{\visualizespaces{\GetTranslation{chemnum-sep-two}}}
+ The output separator between labels in a list that contains of two items.
+ \keyval{list-sep-more}{code}\Module{general}\Default{\visualizespaces{, }}
+ The output separator between labels in a list that contains of more than
+ two items.
+ \keyval{list-sep-last-two}{code}%
+ \Module{general}\Default{\visualizespaces{\GetTranslation{chemnum-sep-last-two}}}
+ The output separator between the last two labels in a list that contains
+ of more than two items.
+\end{options}
+
+\begin{example}
+ \setchemnum{list-sep-two=;,list-sep-more=;,list-sep-last-two=;}
+ \cmpd{a, b, c, d}
+\end{example}
+
+In the default settings these separators are language dependent. Setting them
+explicitly will overwrite the language sensitivity. If you only want to adapt
+the separators to your language have a look at
+section~\ref{sec:lang-depend-sett}.
+
+\section{Replacing Tags in \ac{eps} or \ac{ps} Files}\label{sec:replacing-tags-aceps}
+
+Although it is quite possible to create rection schemes within \LaTeX\
+directly -- for example with the \pkg{chemfig} package~\cite{pkg:chemfig} --
+many people prefer to use a program such as \textsc{ChemDraw} for it. In
+order to be able to use the labels with such schemes as well the following
+method is usually used:
+\begin{itemize}
+ \item Create the scheme and place temporary tags like \code{TMP1},
+ \code{TMP2} and so on where you want the compound labels to be.
+ \item Export the scheme as \ac{eps} or \ac{ps} figure where you make sure
+ that the tags are embedded as text strings.
+ \item Include the \ac{eps} with \cs*{includegraphics}. Right before that
+ use \cs{replacecmpd} once for every temporary tag.
+\end{itemize}
+
+\begin{commands}
+ \command{replacecmpd}[\code{+}\oarg{options}\marg{\ac{id}}]
+ Replaces a tag in the following \ac{eps} file. This command doesn't have
+ an optional star otherwise the syntax is the same as with \cs{cmpd}.
+\end{commands}
+
+Figure~\ref{fig:scheme-tmp-tags} shows a scheme with temporary tags. It is
+produced with the following code where the class \cls{standalone} has been
+used to get the figure only:
+\begin{example}[compile,exe-with={--shell-escape},runs=1,float=htbp,caption={A scheme with
+ temporary tags.\label{fig:scheme-tmp-tags}}]
+ % code for figure 1
+ \documentclass{standalone}
+ \usepackage{graphicx,auto-pst-pdf}
+ \begin{document}
+ \includegraphics{scheme-tmp.ps}
+ \end{document}
+\end{example}
+
+The tags now can be replaced with labels. The result is shown in
+figure~\ref{fig:scheme-tmp-tags-replaced}.
+\begin{example}[compile,exe-with={--shell-escape},runs=1,float=htbp,caption={A scheme with
+ temporary tags replaced with labels.\label{fig:scheme-tmp-tags-replaced}}]
+ % code for figure 2
+ \documentclass{standalone}
+ \usepackage{graphicx,auto-pst-pdf,chemnum}
+ \begin{document}
+ \replacecmpd{Alc}% replaces TMP1
+ \replacecmpd{EtherBr}% replaces TMP2
+ \includegraphics{scheme-tmp.ps}
+ \end{document}
+\end{example}
+
+The replacement is done with the help of the \pkg{psfrag}
+package~\cite{pkg:psfrag} and its \cs{psfrag} command. For details on this
+package and its command I refer to its documentation.
+
+Although the examples don't do it the usage of \cs{replacecmpd} and the
+corresponding graphic file should be placed inside a group (probably a
+\env*{figure} or a \env*{scheme} environment) in order to keep the stepping of
+the tag number local: this allows to use the same tags \code{TMP1},
+\code{TMP2}, \ldots, in the next figure again.
+
+As you can see the labels are printed sans serif. This setting can of course
+be changed. The complete list of options is this:
+\begin{options}
+ \keybool{replace-auto}\Module{general}\Default{true}
+ When set to true this adds an incremented integer to the replacement tag.
+ \keyval{replace-tag}{text}\Module{general}\Default{TMP}
+ The default replacement tag.
+ \keyval{replace-tag-nr}{int}\Module{general}\Default{1}
+ The\sinceversion{1.1} next number used by \cs{replacecmpd} when the
+ default tag is used.
+ \keyval{tag}{text}\Module{replace}\Default{TMP\meta{number}}
+ The local replacement tag. \meta{number} is incremented by one at each
+ use and starts with \code{1}. The starting number can be changed with the
+ option \option{replace-tag-nr}. The increment happens locally.
+ \keyval{replace-style}{code}\Module{general}\Default{\cs*{sffamily}}
+ Additional \TeX\ code that it placed before the \cs{cmpd} command in the
+ replacement.
+ \keyval{style}{code}\Module{replace}\Default{\cs*{sffamily}}
+ Local additional \TeX\ code that it placed before the \cs{cmpd} command in
+ the replacement.
+ \keychoice{replace-pos}{\marg{\TeX\ pos}\marg{\ac{ps}
+ pos}}\Module{general}\Default{bb}
+ Options for \pkg{psfrag}'s \cs{psfrag}.
+ \keychoice{pos}{\marg{\TeX\ pos}\marg{\ac{ps}
+ pos}}\Module{replace}\Default{bb}
+ Local options for \pkg{psfrag}'s \cs{psfrag}.
+\end{options}
+
+If you have a scheme with arbitrary tabs like in
+figure~\ref{fig:scheme-bla-tags} you can specify the \option{tag} option to
+\cs{replacecmpd}. Figure~\ref{fig:scheme-bla-tags-replaced} demonstrates
+this. It also demonstrates that you can of course use sublabels in the
+\cs{replacecmpd} command.
+
+\begin{example}[compile,exe-with={--shell-escape},runs=1,float=htbp,caption={A scheme with
+ arbitrary tags.\label{fig:scheme-bla-tags}}]
+ % code for figure 3
+ \documentclass{standalone}
+ \usepackage{graphicx,auto-pst-pdf}
+ \begin{document}
+ \includegraphics{scheme-bla.ps}
+ \end{document}
+\end{example}
+
+If you don't want to use \code{TMP\meta{number}} as temporary tags but for
+example \code{temp\meta{number}} you can change this with following option:
+\begin{sourcecode}
+ \setchemnum{replace-tag=temp}
+\end{sourcecode}
+
+The options \option{pos} and \option{replace-pos} refer to \cs{psfrag}'s
+optional arguments which determine the positioning of the \TeX\ box with
+respect to the \ac{ps} box that is replaced. This is described in
+\pkg{psfrag}'s documentation.
+
+\begin{example}[compile,exe-with={--shell-escape},runs=1,float=htbp,caption={A scheme with
+ arbitrary tags replaced with labels.\label{fig:scheme-bla-tags-replaced}}]
+ % code for figure 4
+ \documentclass{standalone}
+ \usepackage{graphicx,auto-pst-pdf,chemnum}
+ \begin{document}
+ \setchemnum{replace-style=\itshape}
+ \replacecmpd[tag=blah]{main}% replaces blah
+ \replacecmpd[tag=blub]{main.sub}% replaces blub
+ \includegraphics{scheme-bla.ps}
+ \end{document}
+\end{example}
+
+\section{Changing the Input Markers}\label{sec:chang-input-mark}
+
+In \chemnum's labels there are two markers (or three, actually) that can't be
+part of a label name: the comma \code{,} and the dot \code{.}. You can change
+them with options:
+
+\begin{options}
+ \keyval{list-label-sep}{token}\Module{general}\Default{,}
+ The marker that is used to split an input list of main labels.
+ \keyval{sub-list-label-sep}{token}\Module{general}\Default{,}
+ The marker that is used to split an input list of sublabels.
+ \keyval{main-sub-sep}{token}\Module{general}\Default{.}
+ The marker that divides sublabels from main labels.
+\end{options}
+
+\begin{example}[side-by-side]
+ \setchemnum{
+ main-sub-sep = ! ,
+ list-label-sep = ;
+ }
+ \cmpd{a; b; c; e; g!two} \par
+ \cmpd{q!one,two,three,four,five}
+\end{example}
+
+\section{Language Dependent Settings}\label{sec:lang-depend-sett}
+
+A few settings of \chemnum\ depend on the language you chose with
+\pkg{babel}~\cite{pkg:babel} or \pkg{polyglossia}~\cite{pkg:polyglossia}.
+Those regard the list separators. The language dependent strings are
+translated with the help of the \pkg{translations}~\cite{pkg:translations}
+package. This package provides the means to define translations for strings
+associated with identification keys. \chemnum\ defines two strings. The
+available languages and the corresponding translations of the two strings are
+listed in table~\ref{tab:languages}. Note that both the comma or a leading
+space as well as a trailing space are part of the translations. To make this
+obvious the relevant parts of the table are typeset in monotype and spaces are
+represented by \code{\textvisiblespace}.
+
+If you find your language missing or the translation to your language to be
+wrong please write me an email and I'll add your language or fix the wrong
+translation.
+
+\begin{table}[htbp]
+ \centering
+ \caption{Available languages}
+ \label{tab:languages}
+ \begin{tabular}{l>{\ttfamily}l>{\ttfamily}l}
+ \toprule
+ \bfseries Language &
+ \bfseries chemnum-sep-two &
+ \bfseries chemnum-sep-last-two \\
+ \midrule
+ English
+ & \visualizespaces{\GetTranslationFor{English}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{English}{chemnum-sep-last-two}} \\
+ American
+ & \visualizespaces{\GetTranslationFor{American}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{American}{chemnum-sep-last-two}} \\
+ German
+ & \visualizespaces{\GetTranslationFor{German}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{German}{chemnum-sep-last-two}} \\
+ French
+ & \visualizespaces{\GetTranslationFor{French}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{French}{chemnum-sep-last-two}} \\
+ Spanish
+ & \visualizespaces{\GetTranslationFor{Spanish}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Spanish}{chemnum-sep-last-two}} \\
+ Italian
+ & \visualizespaces{\GetTranslationFor{Italian}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Italian}{chemnum-sep-last-two}} \\
+ Catalan
+ & \visualizespaces{\GetTranslationFor{Catalan}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Catalan}{chemnum-sep-last-two}} \\
+ Portuguese
+ & \visualizespaces{\GetTranslationFor{Portuguese}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Portuguese}{chemnum-sep-last-two}} \\
+ Dutch
+ & \visualizespaces{\GetTranslationFor{Dutch}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Dutch}{chemnum-sep-last-two}} \\
+ Danish
+ & \visualizespaces{\GetTranslationFor{Danish}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Danish}{chemnum-sep-last-two}} \\
+ Swedish
+ & \visualizespaces{\GetTranslationFor{Swedish}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Swedish}{chemnum-sep-last-two}} \\
+ Finnish
+ & \visualizespaces{\GetTranslationFor{Finnish}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Finnish}{chemnum-sep-last-two}} \\
+ Norwegian
+ & \visualizespaces{\GetTranslationFor{Norwegian}{chemnum-sep-two}}
+ & \visualizespaces{\GetTranslationFor{Norwegian}{chemnum-sep-last-two}} \\
+ \bottomrule
+ \end{tabular}
+\end{table}
+
+\section{Debugging Information}\label{sec:debugg-inform}
+
+If you want information on the labels you have defined you can exploit the
+following options:
+\begin{options}
+ \keychoice{log}{\default{true},false,silent,verbose}\Module{general}\Default{false}
+ Determines how the declaration of the labels will be logged. \code{false}
+ means that no information is written to the \code{.log} file. \code{true}
+ means that basic information is written to the \code{.log} file when a
+ label or a sublabel is declared. \code{silent} is an alias of
+ \code{true}. \code{verbose} means that detailed information is written to
+ the \code{.log} file when a label or a sublabel is declared.
+ \keychoice{show-keys}{\default{true},false,def,ref}\Module{general}\Default{false}
+ This option will write visual hints when a label is defined (choices
+ \code{true} or \code{def}) or when a label is referenced (choices
+ \code{true} or \code{ref}).
+\end{options}
+
+The option \option{log} will write information on a label to the \code{log}
+file when a label is defined. Depending on the choice (\code{true}, its alias
+\code{silent}, or \code{verbose}) this will be only the main information or
+detailed information including label properties. The following code shows an
+example when \keyis{log}{verbose}:
+\begin{sourcecode}
+ .................................................
+ . chemnum info: defined new compound:
+ . ID = a
+ . internal number = 1
+ . label = 1
+ . pre label code = (
+ . post label code = )
+ . post main label code =
+ . format = \bfseries
+ .................................................
+\end{sourcecode}
+
+The \option{show-keys} writes some visual information to the document itself:
+\begin{example}
+ \setchemnum{show-keys}
+ \cmpd{a} and a bit later \cmpd{b}.
+\end{example}
+The last example shows the information when a label is referenced. If a label
+is newly declared information is written to the margin like for this label
+with the \ac{id} \code{showkey}: \setchemnum{show-keys}\cmpd{showkey} that
+again is referencend here: \cmpd{showkey}.
+
+The option activates four commands:
+\begin{commands}
+ \command{cmpdshowdef}[\marg{\ac{id}}]
+ Internal command used to display \meta{\ac{id}} of a newly defined compound
+ label when the option \option{show-keys} is used. The command is
+ described in section~\ref{sec:debugg-inform}.
+ \command{cmpdshowref}[\marg{\ac{id}}]
+ Internal command used to display \meta{\ac{id}} of a referencing compound
+ label when the option \option{show-keys} is used. The command is
+ described in section~\ref{sec:debugg-inform}.
+ \command{subcmpdshowdef}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Internal command used to display \meta{main \ac{id}} and \meta{sub
+ \ac{id}} of a newly defined subcompound label when the option
+ \option{show-keys} is used. The command is described in
+ section~\ref{sec:debugg-inform}.
+ \command{subcmpdshowref}[\marg{main \ac{id}}\marg{sub \ac{id}}]
+ Internal command used to display \meta{main \ac{id}} and \meta{sub
+ \ac{id}} of a referencing subcompound label when the option
+ \option{show-keys} is used. The command is described in
+ section~\ref{sec:debugg-inform}.
+\end{commands}
+This means you can customize the appearance of the information by redefining
+those commands. The ones that show the definition use a \cs*{marginpar} in
+their default definition. This may cause them to disappear if issued
+somewhere \cs*{marginpar} cannot be used. The following shows an equivalent
+definition with \cs*{marginnote} from the \pkg{marginnote}
+package~\cite{pkg:marginnote}. (This definition has another drawback: it
+several \cs*{marginnote}s can print over one another if issued in the same
+line.)
+
+\begin{example}
+ \renewcommand*\cmpdshowdef[1]{% /needs/ one mandatory argument
+ \marginnote{\fbox{\normalfont\ttfamily#1}}}
+ \renewcommand*\subcmpdshowdef[2]{% /needs/ two mandatory arguments
+ \marginnote{\fbox{\normalfont\ttfamily#2 (#1)}}}
+ a\cmpdshowdef{foo}\par
+ b\cmpdshowref{foo}\par
+ c\subcmpdshowdef{foo}{bar}\par
+ d\subcmpdshowref{foo}{bar}
+\end{example}
+
+Actually there are two other commands you could redefine -- all four of the
+above commands are defined in terms of them:
+\begin{sourcecode}
+ \NewDocumentCommand\cmpdshowdef{m}{\chemnumshowdef{#1}}
+ \NewDocumentCommand\cmpdshowref{m}{\chemnumshowref{#1}}
+ \NewDocumentCommand\subcmpdshowdef{mm}{\chemnumshowdef{#2 (#1)}}
+ \NewDocumentCommand\subcmpdshowref{mm}{\chemnumshowref{#2}}
+\end{sourcecode}
+
+\end{document}
+
+
diff --git a/macros/latex/contrib/chemnum/scheme-bla.ps b/macros/latex/contrib/chemnum/scheme-bla.ps
new file mode 100644
index 0000000000..d6040c67b4
--- /dev/null
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+% File 8r.enc TeX Base 1 Encoding Revision 2.0 2002-10-30
+%
+% @@psencodingfile@{
+% author = "S. Rahtz, P. MacKay, Alan Jeffrey, B. Horn, K. Berry,
+% W. Schmidt, P. Lehman",
+% version = "2.0",
+% date = "27nov06",
+% filename = "8r.enc",
+% email = "tex-fonts@@tug.org",
+% docstring = "This is the encoding vector for Type1 and TrueType
+% fonts to be used with TeX. This file is part of the
+% PSNFSS bundle, version 9"
+% @}
+%
+% The idea is to have all the characters normally included in Type 1 fonts
+% available for typesetting. This is effectively the characters in Adobe
+% Standard encoding, ISO Latin 1, Windows ANSI including the euro symbol,
+% MacRoman, and some extra characters from Lucida.
+%
+% Character code assignments were made as follows:
+%
+% (1) the Windows ANSI characters are almost all in their Windows ANSI
+% positions, because some Windows users cannot easily reencode the
+% fonts, and it makes no difference on other systems. The only Windows
+% ANSI characters not available are those that make no sense for
+% typesetting -- rubout (127 decimal), nobreakspace (160), softhyphen
+% (173). quotesingle and grave are moved just because it's such an
+% irritation not having them in TeX positions.
+%
+% (2) Remaining characters are assigned arbitrarily to the lower part
+% of the range, avoiding 0, 10 and 13 in case we meet dumb software.
+%
+% (3) Y&Y Lucida Bright includes some extra text characters; in the
+% hopes that other PostScript fonts, perhaps created for public
+% consumption, will include them, they are included starting at 0x12.
+% These are /dotlessj /ff /ffi /ffl.
+%
+% (4) hyphen appears twice for compatibility with both ASCII and Windows.
+%
+% (5) /Euro was assigned to 128, as in Windows ANSI
+%
+% (6) Missing characters from MacRoman encoding incorporated as follows:
+%
+% PostScript MacRoman TeXBase1
+% -------------- -------------- --------------
+% /notequal 173 0x16
+% /infinity 176 0x17
+% /lessequal 178 0x18
+% /greaterequal 179 0x19
+% /partialdiff 182 0x1A
+% /summation 183 0x1B
+% /product 184 0x1C
+% /pi 185 0x1D
+% /integral 186 0x81
+% /Omega 189 0x8D
+% /radical 195 0x8E
+% /approxequal 197 0x8F
+% /Delta 198 0x9D
+% /lozenge 215 0x9E
+%
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+% 0x10
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+ /lessequal /greaterequal /partialdiff /summation
+ /product /pi /grave /quotesingle
+% 0x20
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+% 0x30
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+ /less /equal /greater /question
+% 0x40
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+ /D /E /F /G
+ /H /I /J /K
+ /L /M /N /O
+% 0x50
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+ /T /U /V /W
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+% 0x60
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+ /h /i /j /k
+ /l /m /n /o
+% 0x70
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+% 0x80
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+% 0x90
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+% 0xA0
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+% 0xB0
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+ /cedilla /onesuperior /ordmasculine /guillemotright
+ /onequarter /onehalf /threequarters /questiondown
+% 0xC0
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+%%BeginFont: LinLibertine
+%!PS-AdobeFont-1.0: LinLibertine 5.1.2
+%%Title: LinLibertine
+%Version: 5.1.2
+%%CreationDate: Mon Jun 6 12:57:22 2011
+%%Creator: Michael Niedermair,,,
+%Copyright: Linux Libertine by Philipp H. Poll,
+%Copyright: Open Font under Terms of following Free Software Licenses:
+%Copyright: GPL (General Public License) with font-exception and OFL
+%Copyright: (Open Font License).
+%Copyright: Created with FontForge (http://fontforge.sf.net)
+%Copyright: Sept 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011
+% 2003-08-29: Created.
+% 2004-07-25: v(1.0) release candidate
+% 2005-12-28: v(1.1.0) stable
+% 2006-01-01: v(2.0.0) stable
+% 2006-09-05: v(2.2.0) stable
+% 2006-12-04: v(2.3.0) stable
+% 2007-03-11: v(2.4.0) stable
+% 2007-12-00: v(2.7.0) stable
+% 2008-06-00: v(2.8.14) stable
+% Generated by FontForge 20110222 (http://fontforge.sf.net/)
+%%EndComments
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+% Linux Libertine by Philipp H. Poll,
+% Open Font under Terms of following Free Software Licenses:
+% GPL (General Public License) with font-exception and OFL (Open Font License).
+% Created with FontForge (http://fontforge.sf.net)
+% Sept 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011
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+%!PS-AdobeFont-1.0: CMSS10 003.002
+%%Title: CMSS10
+%Version: 003.002
+%%CreationDate: Mon Jul 13 16:17:00 2009
+%%Creator: David M. Jones
+%Copyright: Copyright (c) 1997, 2009 American Mathematical Society
+%Copyright: (<http://www.ams.org>), with Reserved Font Name CMSS10.
+% This Font Software is licensed under the SIL Open Font License, Version 1.1.
+% This license is in the accompanying file OFL.txt, and is also
+% available with a FAQ at: http://scripts.sil.org/OFL.
+%%EndComments
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+% File 8r.enc TeX Base 1 Encoding Revision 2.0 2002-10-30
+%
+% @@psencodingfile@{
+% author = "S. Rahtz, P. MacKay, Alan Jeffrey, B. Horn, K. Berry,
+% W. Schmidt, P. Lehman",
+% version = "2.0",
+% date = "27nov06",
+% filename = "8r.enc",
+% email = "tex-fonts@@tug.org",
+% docstring = "This is the encoding vector for Type1 and TrueType
+% fonts to be used with TeX. This file is part of the
+% PSNFSS bundle, version 9"
+% @}
+%
+% The idea is to have all the characters normally included in Type 1 fonts
+% available for typesetting. This is effectively the characters in Adobe
+% Standard encoding, ISO Latin 1, Windows ANSI including the euro symbol,
+% MacRoman, and some extra characters from Lucida.
+%
+% Character code assignments were made as follows:
+%
+% (1) the Windows ANSI characters are almost all in their Windows ANSI
+% positions, because some Windows users cannot easily reencode the
+% fonts, and it makes no difference on other systems. The only Windows
+% ANSI characters not available are those that make no sense for
+% typesetting -- rubout (127 decimal), nobreakspace (160), softhyphen
+% (173). quotesingle and grave are moved just because it's such an
+% irritation not having them in TeX positions.
+%
+% (2) Remaining characters are assigned arbitrarily to the lower part
+% of the range, avoiding 0, 10 and 13 in case we meet dumb software.
+%
+% (3) Y&Y Lucida Bright includes some extra text characters; in the
+% hopes that other PostScript fonts, perhaps created for public
+% consumption, will include them, they are included starting at 0x12.
+% These are /dotlessj /ff /ffi /ffl.
+%
+% (4) hyphen appears twice for compatibility with both ASCII and Windows.
+%
+% (5) /Euro was assigned to 128, as in Windows ANSI
+%
+% (6) Missing characters from MacRoman encoding incorporated as follows:
+%
+% PostScript MacRoman TeXBase1
+% -------------- -------------- --------------
+% /notequal 173 0x16
+% /infinity 176 0x17
+% /lessequal 178 0x18
+% /greaterequal 179 0x19
+% /partialdiff 182 0x1A
+% /summation 183 0x1B
+% /product 184 0x1C
+% /pi 185 0x1D
+% /integral 186 0x81
+% /Omega 189 0x8D
+% /radical 195 0x8E
+% /approxequal 197 0x8F
+% /Delta 198 0x9D
+% /lozenge 215 0x9E
+%
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+% 0x00
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+ /fraction /hungarumlaut /Lslash /lslash
+ /ogonek /ring /.notdef /breve
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+% 0x10
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+ /lessequal /greaterequal /partialdiff /summation
+ /product /pi /grave /quotesingle
+% 0x20
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+% 0x30
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+ /less /equal /greater /question
+% 0x40
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+ /D /E /F /G
+ /H /I /J /K
+ /L /M /N /O
+% 0x50
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+ /T /U /V /W
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+% 0x60
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+ /l /m /n /o
+% 0x70
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+ /t /u /v /w
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+% 0x80
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+ /quotedblbase /ellipsis /dagger /daggerdbl
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+% 0x90
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+% 0xA0
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+ /dieresis /copyright /ordfeminine /guillemotleft
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+% 0xB0
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+ /acute /mu /paragraph /periodcentered
+ /cedilla /onesuperior /ordmasculine /guillemotright
+ /onequarter /onehalf /threequarters /questiondown
+% 0xC0
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+ /Igrave /Iacute /Icircumflex /Idieresis
+% 0xD0
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+% 0xF0
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+] def
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+%%BeginFont: LinLibertine
+%!PS-AdobeFont-1.0: LinLibertine 5.1.2
+%%Title: LinLibertine
+%Version: 5.1.2
+%%CreationDate: Mon Jun 6 12:57:22 2011
+%%Creator: Michael Niedermair,,,
+%Copyright: Linux Libertine by Philipp H. Poll,
+%Copyright: Open Font under Terms of following Free Software Licenses:
+%Copyright: GPL (General Public License) with font-exception and OFL
+%Copyright: (Open Font License).
+%Copyright: Created with FontForge (http://fontforge.sf.net)
+%Copyright: Sept 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011
+% 2003-08-29: Created.
+% 2004-07-25: v(1.0) release candidate
+% 2005-12-28: v(1.1.0) stable
+% 2006-01-01: v(2.0.0) stable
+% 2006-09-05: v(2.2.0) stable
+% 2006-12-04: v(2.3.0) stable
+% 2007-03-11: v(2.4.0) stable
+% 2007-12-00: v(2.7.0) stable
+% 2008-06-00: v(2.8.14) stable
+% Generated by FontForge 20110222 (http://fontforge.sf.net/)
+%%EndComments
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+/Notice (Linux Libertine by Philipp H. Poll,\012Open Font under Terms of following Free Software Licenses:\012GPL \050General Public License\051 with font-exception and OFL \050Open Font License\051.\012Created with FontForge \050http://fontforge.sf.net\051\012Sept 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011) readonly def
+% Linux Libertine by Philipp H. Poll,
+% Open Font under Terms of following Free Software Licenses:
+% GPL (General Public License) with font-exception and OFL (Open Font License).
+% Created with FontForge (http://fontforge.sf.net)
+% Sept 2003, 2004, 2005, 2006, 2007, 2008, 2009, 2010, 2011
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+%%Title: CMSS10
+%Version: 003.002
+%%CreationDate: Mon Jul 13 16:17:00 2009
+%%Creator: David M. Jones
+%Copyright: Copyright (c) 1997, 2009 American Mathematical Society
+%Copyright: (<http://www.ams.org>), with Reserved Font Name CMSS10.
+% This Font Software is licensed under the SIL Open Font License, Version 1.1.
+% This license is in the accompanying file OFL.txt, and is also
+% available with a FAQ at: http://scripts.sil.org/OFL.
+%%EndComments
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