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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/chemmacros/chemmacros.module.nomenclature.code.tex
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+% --------------------------------------------------------------------------
+%
+% the CHEMMACROS package -- module: `nomenclature'
+%
+% --------------------------------------------------------------------------
+% Clemens Niederberger
+% --------------------------------------------------------------------------
+% https://github.org/cgnieder/chemmacros/
+% contact@mychemistry.eu
+% --------------------------------------------------------------------------
+% If you have any ideas, questions, suggestions or bugs to report, please
+% feel free to contact me.
+% --------------------------------------------------------------------------
+% Copyright 2011-2017 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.
+% --------------------------------------------------------------------------
+\ChemModule{nomenclature}{2017/06/11 chemical names}
+
+\RequirePackage{scrlfile}
+
+\chemmacros_load_module:n {tikz}
+
+\bool_new:N \l__chemmacros_iupac_restricted_bool
+\bool_new:N \l__chemmacros_iupac_strict_bool
+
+\msg_new:nnn {chemmacros} {new-iupac}
+ {
+ You've~ tried~ to~ define~ a~ iupac~ naming~ command~ with~
+ \token_to_str:N \NewChemIUPAC ,~ but~ the~ iupac~ command~
+ \token_to_str:N #1 \c_space_tl already~ exists.~ Choose~ another~ name~
+ or~ use~ \token_to_str:N \RenewChemIUPAC .
+ }
+
+\msg_new:nnn {chemmacros} {renew-iupac}
+ {
+ You've~ tried~ to~ renew~ the~ iupac~ command~ \token_to_str:N #1 ,~ but~
+ it~ doesn't~ exist.~ Use~ \token_to_str:N \NewChemIUPAC \c_space_tl
+ instead.
+ }
+
+\msg_new:nnn {chemmacros} {let-iupac}
+ {
+ You've~ tried~ to~ let~ the~ iupac~ command~ \token_to_str:N #1 ~ to~ the~
+ iupac~ command~ \token_to_str:N #2 ,~ but~ the~ latter~ doesn't~ exist.~
+ Use~ \token_to_str:N \NewChemIUPAC \c_space_tl instead~ or~declare~
+ \token_to_str:N #2 \c_space_tl first.
+ }
+
+\msg_new:nnn {chemmacros} {new-iupac-shorthand}
+ {
+ You've~ tried~ to~ define~ a~ iupac~ shorthand~ with~ \token_to_str:N
+ \NewChemIUPACShorthand ,~ but~ the~ shorthand~ \token_to_str:N #1
+ \c_space_tl already~ exists.~ Please~ choose~ another~ token.
+ }
+
+\msg_new:nnn {chemmacros} {renew-iupac-shorthand}
+ {
+ You've~ tried~ to~ renew~ the~ iupac~ shorthand~ \token_to_str:N #1 ,~
+ but~ this~ shorthand~ doesn't~ exist,~ yet.
+ }
+
+\prop_new:N \l__chemmacros_iupac_prop
+
+\cs_new_protected:Npn \chemmacros_new_iupac:Nn #1#2
+ {
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \prop_if_in:NVTF \l__chemmacros_iupac_prop \l__chemmacros_tmpa_tl
+ { \msg_error:nnn {chemmacros} {new-iupac} {#1} }
+ {
+ \prop_put:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ {#2}
+ }
+ \chemmacros_make_iupac:
+ }
+
+\cs_new_protected:Npn \chemmacros_provide_iupac:Nn #1#2
+ {
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \prop_if_in:NVF \l__chemmacros_iupac_prop \l__chemmacros_tmpa_tl
+ {
+ \prop_put:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ {#2}
+ }
+ \chemmacros_make_iupac:
+ }
+
+\cs_new_protected:Npn \chemmacros_define_iupac:Nn #1#2
+ {
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \prop_put:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ {#2}
+ \chemmacros_make_iupac:
+ }
+
+\cs_new_protected:Npn \chemmacros_renew_iupac:Nn #1#2
+ {
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \prop_if_in:NVTF \l__chemmacros_iupac_prop \l__chemmacros_tmpa_tl
+ {
+ \prop_put:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ {#2}
+ }
+ { \msg_error:nnn {chemmacros} {renew-iupac} {#1} }
+ \chemmacros_make_iupac:
+ }
+
+\cs_new_protected:Npn \chemmacros_let_iupac:NN #1#2
+ {
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \tl_set:Nx \l__chemmacros_tmpb_tl
+ { \chemmacros_remove_backslash:N #2 }
+ \prop_get:NVNTF \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpb_tl
+ \l__chemmacros_tmpc_tl
+ {
+ \prop_put:NVV \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ \l__chemmacros_tmpc_tl
+ }
+ { \msg_error:nnnn {chemmacros} {let-iupac} {#1} {#2} }
+ \chemmacros_make_iupac:
+ }
+
+\ChemCompatibilityTo{5.2}
+\cs_new_protected:Npn \chemmacros_make_iupac:
+ {
+ \bool_if:NT \l__chemmacros_in_document_bool
+ {
+ \bool_if:NTF \l__chemmacros_inside_iupac_bool
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ {
+ \bool_if:NF \l__chemmacros_iupac_restricted_bool
+ {
+ \bool_if:NTF \l__chemmacros_iupac_strict_bool
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ {
+ \cs_if_exist:cF {##1}
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ }
+ }
+ }
+ }
+ }
+\AtBeginDocument { \chemmacros_make_iupac: }
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.2}
+\cs_new_protected:Npn \chemmacros_make_iupac:
+ {
+ \chemmacros_if_document:T
+ {
+ \bool_if:NTF \l__chemmacros_inside_iupac_bool
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ {
+ \bool_if:NF \l__chemmacros_iupac_restricted_bool
+ {
+ \bool_if:NTF \l__chemmacros_iupac_strict_bool
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ {
+ \prop_map_inline:Nn \l__chemmacros_iupac_prop
+ {
+ \cs_if_exist:cF {##1}
+ { \cs_set_protected:cpn {##1} {##2} }
+ }
+ }
+ }
+ }
+ }
+ }
+\AfterEndPreamble { \chemmacros_make_iupac: }
+\EndChemCompatibility
+
+\NewDocumentCommand \DeclareChemIUPAC {mm}
+ { \chemmacros_define_iupac:Nn #1 {#2} }
+
+\NewDocumentCommand \NewChemIUPAC {mm}
+ { \chemmacros_new_iupac:Nn #1 {#2} }
+
+\NewDocumentCommand \RenewChemIUPAC {mm}
+ { \chemmacros_renew_iupac:Nn #1 {#2} }
+
+\NewDocumentCommand \ProvideChemIUPAC {mm}
+ { \chemmacros_provide_iupac:Nn #1 {#2} }
+
+\NewDocumentCommand \LetChemIUPAC {mm}
+ { \chemmacros_let_iupac:NN #1 #2 }
+
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ iupac .choice: ,
+ iupac / restricted .code:n =
+ \bool_set_true:N \l__chemmacros_iupac_restricted_bool
+ \bool_set_false:N \l__chemmacros_iupac_strict_bool ,
+ iupac / auto .code:n =
+ \bool_set_false:N \l__chemmacros_iupac_restricted_bool
+ \bool_set_false:N \l__chemmacros_iupac_strict_bool ,
+ iupac / strict .code:n =
+ \bool_set_false:N \l__chemmacros_iupac_restricted_bool
+ \bool_set_true:N \l__chemmacros_iupac_strict_bool ,
+ }
+
+% stereo descriptors and other nomenclature commands
+% Cahn-Ingold-Prelog
+\dim_new:N \l__chemmacros_cip_kern_dim
+\dim_set:Nn \l__chemmacros_cip_kern_dim {.075em}
+
+\chemmacros_define_keys:nn {nomenclature}
+ { cip-kern .dim_set:N = \l__chemmacros_cip_kern_dim }
+
+\ChemCompatibilityTo{5.2}
+\cs_new_protected:Npn \chemmacros_cip:n #1
+ { \textit{#1} \tex_kern:D \l__chemmacros_cip_kern_dim }
+
+\NewDocumentCommand \cip {m}
+ { \chemmacros_cip:n {#1} }
+\EndChemCompatibility
+
+\ChemCompatibilityBetween{5.2}{5.8}
+\cs_new_protected:Npn \chemmacros_cip:n #1
+ {
+ \int_zero:N \l__chemmacros_tmpa_int
+ \textup{(}
+ \clist_map_inline:nn
+ {#1}
+ {
+ \int_incr:N \l__chemmacros_tmpa_int
+ \textit{##1}
+ \int_compare:nT
+ { \l__chemmacros_tmpa_int < \clist_count:n {#1} }
+ { \textup{,} }
+ }
+ \textup{)}
+ \tex_kern:D \l__chemmacros_cip_kern_dim
+ }
+\DeclareChemIUPAC \cip { \chemmacros_cip:n }
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.8}
+\tl_new:N \l__chemmacros_cip_inner_tl
+\tl_new:N \l__chemmacros_cip_outer_tl
+\tl_new:N \l__chemmacros_cip_number_tl
+
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ cip-inner-format .tl_set:N = \l__chemmacros_cip_inner_tl ,
+ cip-inner-format .initial:n = \itshape ,
+ cip-outer-format .tl_set:N = \l__chemmacros_cip_outer_tl ,
+ cip-outer-format .initial:n = \upshape ,
+ cip-number-format .tl_set:N = \l__chemmacros_cip_number_tl ,
+ cip-number-format .initial:n = \itshape
+ }
+
+\cs_new_protected:Npn \__chemmacros_cip:n #1
+ {
+ \tl_set:Nn \l__chemmacros_tmpa_tl {#1}
+ \int_step_inline:nnnn {0} {1} {9}
+ {
+ \tl_replace_all:Nnn \l__chemmacros_tmpa_tl
+ {##1}
+ { { \l__chemmacros_cip_number_tl ##1} }
+ }
+ { \l__chemmacros_cip_inner_tl \l__chemmacros_tmpa_tl }
+ }
+
+\cs_new_protected:Npn \chemmacros_cip:n #1
+ {
+ \int_zero:N \l__chemmacros_tmpa_int
+ \group_begin:
+ \l__chemmacros_cip_outer_tl (
+ \clist_map_inline:nn
+ {#1}
+ {
+ \int_incr:N \l__chemmacros_tmpa_int
+ \__chemmacros_cip:n {##1}
+ \int_compare:nT
+ { \l__chemmacros_tmpa_int < \clist_count:n {#1} }
+ { , }
+ }
+ )
+ \group_end:
+ \tex_kern:D \l__chemmacros_cip_kern_dim
+ }
+\DeclareChemIUPAC \cip { \chemmacros_cip:n }
+\EndChemCompatibility
+
+% remember: TikZ needs : to be other
+\cs_new_protected:Npn \chemmacros_sconf:n #1
+ {
+ \group_begin:
+ \chemmacros_tikz:nn
+ { baseline,text~ height=1.5ex,text~ depth=.25ex }
+ {
+ \chemmacros_tikz_node:n {anchor=base} (chemmacros@@Sconf) {#1} ;
+ \chemmacros_tikz_draw:n {->,thick,rotate=90}
+ ($(chemmacros@@Sconf.center)+(20\c_chemmacros_other_colon_tl.8em)$)
+ arc (20\c_chemmacros_other_colon_tl340\c_chemmacros_other_colon_tl.8em);
+ }
+ \group_end:
+ }
+
+\cs_new_protected:Npn \chemmacros_rconf:n #1
+ {
+ \group_begin:
+ \tikz[baseline,text~ height=1.5ex,text~ depth=.25ex]
+ {
+ \chemmacros_tikz_node:n {anchor=base} (chemmacros@@Rconf) {#1} ;
+ \chemmacros_tikz_draw:n {<-,thick,rotate=90}
+ ($(chemmacros@@Rconf.center)+(20\c_chemmacros_other_colon_tl.8em)$)
+ arc (20\c_chemmacros_other_colon_tl340\c_chemmacros_other_colon_tl.8em) ;
+ }
+ \group_end:
+ }
+
+\NewDocumentCommand \Sconf { O{S} } { \chemmacros_sconf:n {#1} }
+\NewDocumentCommand \Rconf { O{R} } { \chemmacros_rconf:n {#1} }
+
+% coordination chemistry
+\bool_new:N \l__chemmacros_bridge_super_bool
+
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ bridge-number .choice: ,
+ bridge-number / sub .code:n =
+ \bool_set_false:N \l__chemmacros_bridge_super_bool ,
+ bridge-number / super .code:n =
+ \bool_set_true:N \l__chemmacros_bridge_super_bool ,
+ coord-use-hyphen .bool_set:N = \l__chemmacros_coord_use_hyphen_bool ,
+ coord-use-hyphen .initial:n = true
+ }
+
+% #1: boolean - if true hyphen is turned on
+% #2: boolean - if true superscript will be used
+% #3: symbol
+% #4: sub-/superscript
+\cs_new_protected:Npn \chemmacros_coordination_symbol:nnnn #1#2#3#4
+ {
+ \chemmacros_chemformula:n {#3}
+ \tl_if_blank:nF {#4}
+ {
+ \bool_if:nTF {#2}
+ { \chemmacros_chemformula:n { {}^{#4} } }
+ { \chemmacros_chemformula:n { {}_{#4} } }
+ }
+ \bool_if:nT
+ {#1}
+ { \chemmacros_break_point_hyphen: }
+ }
+
+\cs_new_protected:Npn \chemmacros_hapto:n #1
+ {
+ \chemmacros_coordination_symbol:nnnn
+ { \l__chemmacros_coord_use_hyphen_bool }
+ {
+ \chemmacros_if_compatibility:nnTF {>} {5.7}
+ { \c_true_bool }
+ { \c_false_bool }
+ }
+ { \chemeta }
+ {#1}
+ }
+
+\cs_new_protected:Npn \chemmacros_dento:n #1
+ {
+ \chemmacros_coordination_symbol:nnnn
+ { \l__chemmacros_coord_use_hyphen_bool }
+ {
+ \chemmacros_if_compatibility:nnTF {>} {5.7}
+ { \c_true_bool }
+ { \c_false_bool }
+ }
+ { \chemkappa }
+ {#1}
+ }
+
+\cs_new_protected:Npn \chemmacros_bridge:n #1
+ {
+ \chemmacros_coordination_symbol:nnnn
+ { \l__chemmacros_coord_use_hyphen_bool }
+ { \l__chemmacros_bridge_super_bool }
+ { \chemmu }
+ {#1}
+ }
+
+% \iupac (basically the same as bpchem's \IUPAC)
+% - allows multiple breaking points as compound names can get really long and
+% especially in multicolumn documents can span more than two lines
+% - add a (very) little space before the hyphen and a little negative space
+% after it
+% - add a little space at breaking points if not broken
+% - enables all naming commands regardless if they're definied otherwise or not
+\cs_new_protected:Npn \chemmacros_allow_hyphens:
+ {
+ \chemmacros_nobreak:
+ \chemmacros_if_compatibility:nnTF {<=} {5.7}
+ { \skip_horizontal:N \c_zero_dim }
+ { \skip_horizontal:N \c_zero_skip }
+ }
+
+% #1: pre break
+% #2: post break
+% #3: no break
+\ChemCompatibilityTo{5.1}
+\cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
+ {
+ \chemmacros_nobreak:
+ \tex_discretionary:D { - } { } {#3}
+ \chemmacros_allow_hyphens:
+ }
+\EndChemCompatibility
+
+\ChemCompatibilityBetween{5.1}{5.8}
+\cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
+ {
+ \mode_if_math:TF
+ {#3}
+ {
+ \chemmacros_nobreak:
+ \tex_discretionary:D {#1} {#2} {#3}
+ \chemmacros_allow_hyphens:
+ }
+ }
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.8a}
+\cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
+ {
+ \mode_if_math:TF
+ {#3}
+ {
+ \peek_meaning:NTF \group_end:
+ {#3}
+ {
+ \chemmacros_nobreak:
+ \tex_discretionary:D {#1} {#2} {#3}
+ \chemmacros_allow_hyphens:
+ }
+ }
+ }
+\EndChemCompatibility
+
+\dim_new:N \l__chemmacros_iupac_hyphen_pre_dim
+\dim_set:Nn \l__chemmacros_iupac_hyphen_pre_dim { .01em }
+\dim_new:N \l__chemmacros_iupac_hyphen_post_dim
+\dim_set:Nn \l__chemmacros_iupac_hyphen_post_dim { -.03em }
+\dim_new:N \l__chemmacros_iupac_break_dim
+\dim_set:Nn \l__chemmacros_iupac_break_dim { .03em }
+\skip_new:N \l__chemmacros_iupac_break_skip
+\skip_set:Nn \l__chemmacros_iupac_break_skip { .03em plus .07em }
+
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ hyphen-pre-space .dim_set:N = \l__chemmacros_iupac_hyphen_pre_dim ,
+ hyphen-post-space .dim_set:N = \l__chemmacros_iupac_hyphen_post_dim ,
+ break-space .skip_set:N = \l__chemmacros_iupac_break_skip
+ }
+
+\ChemCompatibilityTo{5.2}
+\cs_new_protected:Npn \chemmacros_break_point_hyphen:
+ {
+ \__chemmacros_break_point_insert:nnn
+ {-}
+ { }
+ {
+ \tex_kern:D \l__chemmacros_iupac_hyphen_pre_dim
+ -
+ \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
+ }
+ }
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.2}
+\cs_new_protected:Npn \chemmacros_break_point_hyphen:
+ {
+ \__chemmacros_break_point_insert:nnn
+ { \tex_kern:D \l__chemmacros_iupac_hyphen_pre_dim - }
+ { }
+ {
+ \tex_kern:D \l__chemmacros_iupac_hyphen_pre_dim
+ -
+ \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
+ }
+ }
+\EndChemCompatibility
+
+\cs_new_protected:Npn \chemmacros_break_point:
+ {
+ \__chemmacros_break_point_insert:nnn
+ {-}
+ { }
+ {
+ \mode_if_math:TF
+ { | }
+ { \tex_kern:D \l__chemmacros_iupac_break_dim }
+ }
+ }
+
+\cs_new_protected:Npn \chemmacros_break_point_opening_paren:
+ { \__chemmacros_break_point_insert:nnn { - } { ( } { ( } }
+
+\cs_new_protected:Npn \chemmacros_break_point_closing_paren:
+ { \__chemmacros_break_point_insert:nnn { )- } { } { ) } }
+
+\cs_new_protected:Npn \chemmacros_break_point_opening_bracket:
+ { \__chemmacros_break_point_insert:nnn { - } { [ } { [ } }
+
+\cs_new_protected:Npn \chemmacros_break_point_closing_bracket:
+ { \__chemmacros_break_point_insert:nnn { ]- } { } { ] } }
+
+\cs_new_protected:Npn \chemmacros_superscript:n #1
+ { \mode_if_math:TF { \sp {#1} } { \textsuperscript {#1} } }
+
+\bool_new:N \l__chemmacros_inside_iupac_bool
+
+\seq_new:N \l__chemmacros_iupac_shorthands_seq
+\prop_new:N \l__chemmacros_iupac_shorthands_prop
+
+% #1: token
+% #2: definition
+\cs_new_protected:Npn \chemmacros_define_iupac_shorthand:NN #1#2
+ {
+ \seq_if_in:NnF \l__chemmacros_iupac_shorthands_seq {#1}
+ { \seq_put_right:Nn \l__chemmacros_iupac_shorthands_seq {#1} }
+ \prop_put:Nnn \l__chemmacros_iupac_shorthands_prop {#1}
+ { \char_set_active_eq:NN #1#2 }
+ }
+
+\cs_new_protected:Npn \chemmacros_remove_shorthand:N #1
+ {
+ \chemmacros_define_iupac_shorthand:NN #1 \c_empty_tl
+ \seq_remove_all:Nn \l__chemmacros_iupac_shorthands_seq {#1}
+ \prop_remove:Nn \l__chemmacros_iupac_shorthands_prop {#1}
+ }
+
+\prg_new_conditional:Npnn \chemmacros_if_iupac_shorthand:N #1 {p,T,F,TF}
+ {
+ \seq_if_in:NnTF \l__chemmacros_iupac_shorthands_seq {#1}
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+\cs_new_protected:Npn \chemmacros_for_all_iupac_shorthands_do:n #1
+ { \seq_map_inline:Nn \l__chemmacros_iupac_shorthands_seq {#1} }
+
+\cs_new_protected:Npn \chemmacros_activate_iupac_shorthand:N #1
+ { \chemmacros_if_iupac_shorthand:NT #1 { \char_set_catcode_active:N #1 } }
+
+\cs_new_protected:Npn \chemmacros_activate_iupac_shorthands:n #1
+ { \tl_map_inline:nn {#1} { \chemmacros_activate_iupac_shorthand:N ##1 } }
+
+\cs_new_protected:Npn \chemmacros_activate_all_iupac_shorthands:
+ {
+ \chemmacros_for_all_iupac_shorthands_do:n
+ { \chemmacros_activate_iupac_shorthand:N ##1 }
+ }
+
+\cs_new_protected:Npn \chemmacros_make_shorthands:
+ {
+ \chemmacros_if_compatibility:nnT {>=} {5.2}
+ {
+ \chemmacros_if_document:T
+ {
+ \chemmacros_for_all_iupac_shorthands_do:n
+ { \prop_item:Nn \l__chemmacros_iupac_shorthands_prop {##1} }
+ }
+ }
+ }
+
+\NewDocumentCommand \DeclareChemIUPACShorthand {mm}
+ { \chemmacros_define_iupac_shorthand:NN #1#2 }
+
+\NewDocumentCommand \NewChemIUPACShorthand {mm}
+ {
+ \chemmacros_if_iupac_shorthand:NTF #1
+ { \msg_error:nnn {chemmacros} {new-iupac-shorthand} {#1} }
+ { \chemmacros_define_iupac_shorthand:NN #1#2 }
+ }
+
+\NewDocumentCommand \ProvideChemIUPACShorthand {mm}
+ {
+ \chemmacros_if_iupac_shorthand:NTF #1
+ { \chemmacros_define_iupac_shorthand:NN #1#2 }
+ }
+
+\NewDocumentCommand \RenewChemIUPACShorthand {mm}
+ {
+ \chemmacros_if_iupac_shorthand:NTF #1
+ { \chemmacros_define_iupac_shorthand:NN #1#2 }
+ { \msg_error:nnn {chemmacros} {renew-iupac-shorthand} {#1} }
+ }
+
+\NewDocumentCommand \RemoveChemIUPACShorthand {m}
+ { \chemmacros_remove_shorthand:N #1 }
+
+\NewChemIUPACShorthand ^ \chemmacros_superscript:n
+\NewChemIUPACShorthand | \chemmacros_break_point:
+\NewChemIUPACShorthand - \chemmacros_break_point_hyphen:
+
+\ChemCompatibilityFrom{5.1}
+\NewChemIUPACShorthand ( \chemmacros_break_point_opening_paren:
+\NewChemIUPACShorthand ) \chemmacros_break_point_closing_paren:
+\NewChemIUPACShorthand [ \chemmacros_break_point_opening_bracket:
+\NewChemIUPACShorthand ] \chemmacros_break_point_closing_bracket:
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.3}
+\NewChemIUPAC \chemprime { \ensuremath {{}^{\prime}} }
+\NewChemIUPACShorthand ' \chemprime
+\EndChemCompatibility
+
+\cs_new_protected:Npn \chemmacros_iupac:nn #1#2
+ {
+ \group_begin:
+ \bool_set_true:N \l__chemmacros_inside_iupac_bool
+ \chemmacros_set_keys:nn {nomenclature} {#1}
+ \chemmacros_make_iupac:
+ \chemmacros_make_shorthands:
+ % what's this vvv in here for?
+ \chemmacros_ignore_spaces:
+ \chemmacros_if_compatibility:nnT {<=} {5.2}
+ { \chemmacros_define_deprecated:NN \- - }
+ \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl
+ { \chemmacros_activate_all_iupac_shorthands: }
+ {#2}
+ \l__chemmacros_tmpa_tl
+ \group_end:
+ }
+
+\cs_new_protected:Npn \chemmacros_iupac:n #1 { \chemmacros_iupac:nn {} {#1} }
+
+\ChemCompatibilityTo{5.3}
+% Thanks to Joseph Wright and Enrico Gregorio for the help on the curious
+% redefinition of \- and the end of the compilation
+% see http://tex.stackexchange.com/q/42405/5049 for reference
+\cs_set_protected:Npx \- { \exp_not:o { \- } }
+\cs_set_eq:NN \@dischyph \-
+\EndChemCompatibility
+
+\NewDocumentCommand \iupac {O{}m} { \chemmacros_iupac:nn {#1} {#2} }
+
+% --------------------------------------------------------------------------
+% R(ectus)/S(inister):
+\NewChemIUPAC \rectus { \cip {R} }
+\NewChemIUPAC \sinister { \cip {S} }
+
+\LetChemIUPAC \R \rectus
+\LetChemIUPAC \S \sinister
+
+% E(ntgegen)/Z(usammen)
+\NewChemIUPAC \entgegen { \cip {E} }
+\NewChemIUPAC \zusammen { \cip {Z} }
+
+\LetChemIUPAC \E \entgegen
+\LetChemIUPAC \Z \zusammen
+
+% cis/trans
+\NewChemIUPAC \cis { \textit {cis} }
+\NewChemIUPAC \trans { \textit {trans} }
+
+% fac/mer
+\NewChemIUPAC \fac { \textit {fac} }
+\NewChemIUPAC \mer { \textit {mer} }
+
+% tert
+\NewChemIUPAC \tert { \textit {tert} }
+
+% Italian descriptors - I forgot what they mean
+\NewChemIUPAC \sin { \textit {sin} }
+\NewChemIUPAC \ter { \textit {ter} }
+
+% Fischer
+\NewChemIUPAC \dexter { \textsc {d} }
+\NewChemIUPAC \laevus { \textsc {l} }
+
+\LetChemIUPAC \D \dexter
+\LetChemIUPAC \L \laevus
+
+% ortho/meta/para
+\NewChemIUPAC \ortho { \textit {o} }
+\NewChemIUPAC \meta { \textit {m} }
+\NewChemIUPAC \para { \textit {p} }
+
+% syn/anti
+\NewChemIUPAC \syn { \textit {syn} }
+\NewChemIUPAC \anti { \textit {anti} }
+
+% coordination chemistry:
+\NewChemIUPAC \hapto { \chemmacros_hapto:n }
+\NewChemIUPAC \dento { \chemmacros_dento:n }
+\NewChemIUPAC \bridge { \chemmacros_bridge:n }
+
+% attachments to heteroatoms / added hydrogen
+\NewChemIUPAC \hydrogen { \textit {H} }
+\NewChemIUPAC \oxygen { \textit {O} }
+\NewChemIUPAC \nitrogen { \textit {N} }
+\NewChemIUPAC \sulfur { \textit {S} }
+\NewChemIUPAC \phosphorus { \textit {P} }
+
+% atoms:
+\LetChemIUPAC \H \hydrogen
+\LetChemIUPAC \O \oxygen
+\LetChemIUPAC \N \nitrogen
+\LetChemIUPAC \Sf \sulfur
+\LetChemIUPAC \P \phosphorus
+
+% greek letters
+\NewChemIUPAC \a { \chemalpha }
+\NewChemIUPAC \b { \chembeta }
+\NewChemIUPAC \g { \chemgamma }
+\NewChemIUPAC \d { \chemdelta }
+\NewChemIUPAC \k { \chemkappa }
+\NewChemIUPAC \m { \chemmu }
+\NewChemIUPAC \n { \chemeta }
+\NewChemIUPAC \w { \chemomega }
+
+% --------------------------------------------------------------------------
+% latin phrases
+\tl_new:N \l__chemmacros_latin_format_tl
+
+\NewChemMacroset {Latin} {mm}
+ { \chemmacros_define_latin:Nn #1 {#2} }
+
+\ChemCompatibilityTo{5.7}
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ latin-format .tl_set:N = \l__chemmacros_latin_format_tl ,
+ latin-format .initial:n = \textit ,
+ }
+
+\cs_new_protected:Npn \chemmacros_latin:n #1
+ { { \l__chemmacros_latin_format_tl {#1} } }
+
+\cs_new_protected:Npn \chemmacros_define_latin:Nn #1#2
+ { \cs_set_protected:Npn #1 { \chemmacros_latin:n {#2} } }
+
+\AtBeginDocument
+ {
+ % if chemstyle is loaded use chemstyle's definition:
+ \chemmacros_if_package_loaded:nT {chemstyle}
+ {
+ \AfterPackage* {chemstyle}
+ {
+ \cs_undefine:N \invacuo
+ \cs_set_eq:NN \chemmacros_latin:n \cst@latin
+ }
+ }
+ \cs_if_exist:NTF \latin
+ { \cs_set_eq:NN \latin \chemmacros_latin:n }
+ { \cs_new_eq:NN \latin \chemmacros_latin:n }
+ \NewChemLatin \insitu {in~situ}
+ \NewChemLatin \abinitio {ab~initio}
+ \NewChemLatin \invacuo {in~vacuo}
+ }
+\EndChemCompatibility
+
+\ChemCompatibilityFrom{5.7}
+\chemmacros_define_keys:nn {nomenclature}
+ {
+ format .tl_set:N = \l__chemmacros_latin_format_tl ,
+ format .initial:n = \emph ,
+ }
+
+\cs_new_protected:Npn \chemmacros_write_latin:n #1
+ {
+ \group_begin:
+ \l__chemmacros_latin_format_tl {#1}
+ \group_end:
+ }
+
+\cs_new_protected:Npn \chemmacros_latin:n #1
+ { \chemmacros_write_latin:n {#1} }
+
+\cs_new_protected:Npn \chemmacros_define_latin:Nn #1#2
+ { \DeclareDocumentCommand #1 {O{}} { \latin [##1] {#2} } }
+
+\NewDocumentCommand \latin {O{}m}
+ {
+ \group_begin:
+ \chemmacros_set_keys:nn {nomenclature} {#1}
+ \chemmacros_latin:n {#2}
+ \group_end:
+ }
+
+\AtBeginDocument
+ {
+ \AfterPackage* {chemstyle} { \cs_undefine:N \invacuo }
+ \NewChemLatin \insitu {in~situ}
+ \NewChemLatin \abinitio {ab~initio}
+ \NewChemLatin \invacuo {in~vacuo}
+ }
+
+\EndChemCompatibility
+
+% --------------------------------------------------------------------------
+% hyperref support
+% ?? unsure about adding IUPAC commands
+\AfterPackage* {hyperref}
+ {
+ \pdfstringdefDisableCommands
+ {
+ % \cs_set:Npn \- { - } % maybe not a good idea...
+ % \cs_set:Npn \| { }
+ % \cs_set:Npn \pH { pH }
+ % \cs_set:Npn \pOH { pOH }
+ \cs_set:Npn \iupac #1 {#1}
+ \cs_set:Npn \cip #1 {(#1)}
+ \cs_set:Npn \cis {cis}
+ \cs_set:Npn \trans {trans}
+ \cs_set:Npn \tert {tert}
+ \cs_set:Npn \ortho {o}
+ \cs_set:Npn \meta {m}
+ \cs_set:Npn \para {p}
+ \cs_set:Npn \syn {syn}
+ \cs_set:Npn \anti {anti}
+ \cs_set:Npn \R {(R)}
+ \cs_set:Npn \S {(S)}
+ \cs_set:Npn \E {(E)}
+ \cs_set:Npn \Z {(Z)}
+ \cs_set:Npn \D {D}
+ \cs_set:Npn \L {L}
+ \cs_set:Npn \H {H}
+ \cs_set:Npn \O {O}
+ \cs_set:Npn \N {N}
+ \cs_set:Npn \Sf {S}
+ \cs_set:Npn \P {P}
+ \cs_set:Npn \dexter {D}
+ \cs_set:Npn \laevus {L}
+ \cs_set:Npn \rectus {(R)}
+ \cs_set:Npn \sinister {(S)}
+ \cs_set:Npn \entgegen {(E)}
+ \cs_set:Npn \zusammen {(Z)}
+ \cs_set:Npn \hydrogen {H}
+ \cs_set:Npn \oxygen {O}
+ \cs_set:Npn \nitrogen {N}
+ \cs_set:Npn \sulfur {S}
+ \cs_set:Npn \phosphorus {P}
+ \cs_set:Npn \chemprime {'}
+ }
+ }
+
+% --------------------------------------------------------------------------
+\tex_endinput:D
+
+2015/10/01 - use new function \chemmacros_if_document:TF for
+ \chemmacros_make_iupac:
+ - \cip only italicizes elements of csv list
+ - fix bug in \RemoveChemIUPACShorthand
+2016/01/02 - \chemprime
+2016/01/23 - give shorthand definitions only inside \iupac
+2016/01/25 - small improvements (?) of the shorthand code
+2016/05/08 - check if \latin is already defined (eg by achemso) and overwrite
+ definition
+2016/05/10 - define \chemmacros_hapto:n and friends in terms of
+ \chemmacros_coordination_symbol:nnnn
+ - \iupac gets an optional argument for setting options
+2016/05/31 - overwrite any \latin definition -- or rather: just define \latin
+ - \latin and all macros defined with \NewChemLatin get an optional
+ argument for setting options
+2016/06/07 - rename functions which erroneously were assigned to the
+ `chemformula' module
+2017/04/17 - fix erroneous definition of \chemmacros_allow_hyphens:
+ - new options `cip-inner-format', `cip-outer-format' and
+ `cip-number-format'
+2017/06/11 - change behaviour of \__chemmacros_break_point_insert:nnn so
+ it does nothing as last token in \iupac