% --------------------------------------------------------------------------
% 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--2021 Clemens Niederberger
%
% This work may be distributed and/or modified under the
% conditions of the LaTeX Project Public License, either version 1.3c
% 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 1.3c or later is part of all distributions of LaTeX
% version 2008/05/04 or later.
%
% This work has the LPPL maintenance status `maintained'.
%
% The Current Maintainer of this work is Clemens Niederberger.
% --------------------------------------------------------------------------
\RequirePackage{expl3,xparse,l3keys2e}
\ExplSyntaxOn
\tl_const:Nn \c_chemnum_date_tl {2021/01/21}
\tl_const:Nn \c_chemnum_version_number_tl {1.3}
\tl_const:Nn \c_chemnum_version_suffix_tl {a}
\tl_const:Nx \c_chemnum_version_tl
{ \c_chemnum_version_number_tl \c_chemnum_version_suffix_tl }
\tl_const:Nn \c_chemnum_info_tl
{a~ comprehensive~ approach~ for~ the~ numbering~ of~ chemical~ compounds}
% ----------------------------------------------------------------------------
% provide the package:
\ProvidesExplPackage
{chemnum}
{\c_chemnum_date_tl}
{\c_chemnum_version_tl}
{\c_chemnum_info_tl \c_space_tl (CN)}
% ----------------------------------------------------------------------------
% required packages:
% language support:
\RequirePackage{translations}
% greek alphabet for the labels matching to chemmacros' selection:
\RequirePackage{chemgreek}
\RequirePackage{psfrag}
% ----------------------------------------------------------------------------
% messages:
\msg_new:nnn {chemnum} {missing-label}
{
The~ key~ `#1' \tl_if_blank:nF {#2} {~ of~`#2'} ~ 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
\str_new:N \l__chemnum_tmpa_str
% ----------------------------------------------------------------------------
% 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_const:Nn \c_chemnum_nothing_here_tl {??}
\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,general} ,
post-label-code .tl_set:N = \l__chemnum_post_label_default_tl ,
post-label-code .groups:n = {compound,general} ,
pre-main-label-code .tl_set:N = \l__chemnum_pre_main_label_default_tl ,
pre-main-label-code .groups:n = {compound,general} ,
post-main-label-code .tl_set:N = \l__chemnum_post_main_label_default_tl ,
post-main-label-code .groups:n = {compound,general} ,
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
\hook_gput_code:nnn {begindocument} {chemnum}
{
\legacy_if:nT {@filesw}
{
\iow_now:Nn \@auxout
{
\providecommand\chemnum@cmpd[8]{} ^^J
\providecommand\chemnum@subcmpd[4]{} ^^J
\providecommand\chemnum@check{}
}
}
}
% 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:
{
\hook_gput_code:nnn {enddocument} {code}
{ \def \chemnum@check { \@tempswatrue } }
}
% add the rerun check at the end:
\hook_gput_code:nnn {enddocument} {code}
{
\legacy_if:nT {@filesw}
{ \iow_now:Nn \@auxout { \chemnum@check } }
}
% ----------------------------------------------------------------------------
% 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
}
}
% #1: main ID
\prg_new_conditional:Npnn \chemnum_if_subcompounds:n #1 {T,F,TF}
{
\seq_if_exist:cTF {g__chemnum_compound_#1_subcompounds_seq}
{ \prg_return_true: }
{ \prg_return_false: }
}
% #1: main ID
\cs_new:Npn \chemnum_count_subcompounds:n #1
{ \int_use:c {g__chemnum_compound_#1_subcompound_int} }
% #1: main ID
% #2: index
\cs_new:Npn \chemnum_get_subcompound:nn #1#2
{ \seq_item:cn {g__chemnum_compound_#1_subcompounds_seq} {#2} }
% ----------------------------------------------------------------------------
\cs_new:Npn \__chemnum_nothing_here:n #1
{
\c_chemnum_nothing_here_tl
\msg_warning:nnn {chemnum} {missing-label} {#1}
}
\cs_new:Npn \__chemnum_nothing_here:nn #1#2
{
\c_chemnum_nothing_here_tl
\msg_warning:nnnn {chemnum} {missing-label} {#1} {#2}
}
\cs_generate_variant:Nn \__chemnum_nothing_here:nn {x}
% ----------------------------------------------------------------------------
\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} }
% #1: property
% #2: ID
% #3: value
\NewDocumentCommand \setcmpdproperty {mmm}
{
\chemnum_compound_set_property:nnn {#2} {#1} {#3}
\chemnum_finalize_compound:n {#1}
}
\NewDocumentCommand \setcmpdlabel {mm}
{ \setcmpdproperty {counter-representation} {#1} {#2} }
% ----------------------------------------------------------------------------
% 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
{
\hook_gput_code:nnn {begindocument} {chemnum}
{
\legacy_if:nT {@filesw}
{
\iow_now:Nx \@auxout
{ \exp_not:N \chemnum@cmpd {#1}{#2}{#3}{#4}{#5}{#6}{#7}{#8} }
}
}
}
\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
{
\legacy_if:nT {@filesw}
{
\iow_now:Nx \@auxout
{ \exp_not:N \chemnum@subcmpd {#1}{#2}{#3}{#4} }
}
}
\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
{
\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_nothing_here:n {#1}
\__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_nothing_here:nn {#2} {#1}
\__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} }
\chemnum_write_main:nnnn {##1} {##2} {##3} {##4}
\bool_lazy_and:nnT
{ !\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
{
\bool_if:NF \l__chemnum_sub_only_bool
{ \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_lazy_or:nnF
{ \l__chemnum_sub_only_bool } {#1}
{
\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_new_protected:Npn \chemnum_print_label_id:n #1
{
\group_begin:
\str_set:Nn \l__chemnum_tmpa_str {#1}
\str_use:N \l__chemnum_tmpa_str
\group_end:
}
\cs_new_protected:Npn \chemnum_show_label_margin:n #1
{ \marginpar { \fbox {#1} } }
\cs_new_protected:Npn \chemnum_show_label_inline: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 {#1} }
}
}
\group_end:
}
\NewDocumentCommand \cmpdprintlabelid {m}
{ \chemnum_print_label_id:n {#1} }
\NewDocumentCommand \cmpdshowlabelmargin {m}
{ \chemnum_show_label_margin:n {#1} }
\NewDocumentCommand \cmpdshowlabelinline {m}
{ \chemnum_show_label_inline:n {#1} }
\NewDocumentCommand \chemnumshowdef {m}
{
\cmpdshowlabelmargin
{
\normalfont \ttfamily
\cmpdprintlabelid {#1}
}
}
\NewDocumentCommand \chemnumshowref {m}
{
\cmpdshowlabelinline
{
\normalfont \ttfamily \footnotesize
\cmpdprintlabelid {#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_lazy_and:nnTF
{ \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_if_exist:cTF {g__chemnum_compound_#5_subcompounds_seq}
{
\seq_map_inline:Nn #3
{
\seq_if_in:cnTF {g__chemnum_compound_#5_subcompounds_seq} {##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}
}
}
}
{ \__chemnum_nothing_here:nn {##1} {#5} }
}
}
{ \__chemnum_nothing_here:xn { \seq_use:Nnnn #3 {,~} {,~} {,~} } {#5} }
}
\seq_remove_all:Nn #7 {}
}
% #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}
}
\tl_set_eq:NN
\l__chemnum_compound_replace_local_format_tl
\l__chemnum_compound_replace_format_tl
% set specific replacement options
\keys_set_groups:nnn {chemnum} {replace} { replace=false, #2 }
\bool_lazy_and:nnTF
{ \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}
{ \AtBeginDocument { \chemnum_init:nn {#1} {#2} } }
\@onlypreamble\initcmpd
% ----------------------------------------------------------------------------
% 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} }
\file_input_stop:
% ----------------------------------------------------------------------------
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
2016/05/11 v1.2a - pre- and post-label options now belong both to the
`compound' and the `general' groups
2016/10/22 v1.2b - enable label keys to be printed (with `show-keys') if they
contain underscores or similar tokens
- easier customization possibilities of the `show-keys'
functions
2019/10/02 v1.2c - fix issues #5, #7
2020/12/06 v1.3 - add \setcmpdproperty and \setcmpdlabel
- prefer lazy boolean evaluation
- fix issues #14, #15, #16
- make some variables public
- \chemnum_if_subcompounds:nTF
- \chemnum_count_subcompounds:n
- \chemnum_get_subcompound:nn
2021/01/21 v1.3a - fix issue #17