From 09c10cc951beaad3e1c1df0c6228b953c3e01e77 Mon Sep 17 00:00:00 2001 From: Karl Berry Date: Tue, 19 Feb 2013 23:59:58 +0000 Subject: chemmacros (19feb13) git-svn-id: svn://tug.org/texlive/trunk@29171 c570f23f-e606-0410-a88d-b1316a301751 --- .../tex/latex/chemmacros/chemformula.sty | 397 ++++++++++++--------- .../texmf-dist/tex/latex/chemmacros/chemmacros.sty | 24 +- .../texmf-dist/tex/latex/chemmacros/ghsystem.sty | 8 +- 3 files changed, 255 insertions(+), 174 deletions(-) (limited to 'Master/texmf-dist/tex/latex/chemmacros') diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty index 630992621cd..c8c81b62add 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty @@ -155,6 +155,12 @@ \tl_new:N \l__chemformula_radical_style_tl \dim_new:N \l__chemformula_radical_radius_dim \dim_set:Nn \l__chemformula_radical_radius_dim { .2ex } +\dim_new:N \l__chemformula_radical_hshift_dim +\dim_set:Nn \l__chemformula_radical_hshift_dim { .3ex } +\dim_new:N \l__chemformula_radical_vshift_dim +\dim_set:Nn \l__chemformula_radical_vshift_dim { .7ex } +\dim_new:N \l__chemformula_radical_space_dim +\dim_set:Nn \l__chemformula_radical_space_dim { .3ex } \cs_new:Npn \chemformula_radical: { @@ -166,13 +172,24 @@ inner~sep=0pt, outer~sep=0pt } - { \fill (0,0)++(.3ex,.7ex) circle (\l__chemformula_radical_radius_dim) ; } + { + \fill (0,0) + ++(\l__chemformula_radical_hshift_dim,\l__chemformula_radical_vshift_dim) + circle (\l__chemformula_radical_radius_dim) ; + } + \skip_horizontal:N \l__chemformula_radical_space_dim } -\keys_define:nn { chemformula } +\keys_define:nn { chemmacros / chemformula } { + % TikZ style: radical-style .tl_set:N = \l__chemformula_radical_style_tl , - radical-radius .dim_set:N = \l__chemformula_radical_radius_dim + radical-radius .dim_set:N = \l__chemformula_radical_radius_dim , + % shift before: + radical-hshift .dim_set:N = \l__chemformula_radical_hshift_dim , + radical-vshift .dim_set:N = \l__chemformula_radical_vshift_dim , + % space after: + radical-space .dim_set:N = \l__chemformula_radical_space_dim } \cs_new:Npn \chemformula_adduct: @@ -281,27 +298,23 @@ \let\pgf@arrows@check@already\savedef} %-----------------------------------------------------------------------------% -% dimension variables -\dim_new:N \l__chemformula_arrow_length_dim - -\dim_new:N \l__chemformula_arrow_label_offset_dim +% variables +\dim_new:N \l__chemformula_arrow_length_dim +\dim_new:N \l__chemformula_arrow_label_offset_dim \dim_set:Nn \l__chemformula_arrow_label_offset_dim { 2pt } - -\dim_new:N \l__chemformula_arrow_shortage_dim -\tl_new:N \l__chemformula_arrow_ratio_tl -\tl_set:Nn \l__chemformula_arrow_ratio_tl { .6 } - -\dim_new:N \l__chemformula_arrow_offset_dim +\dim_new:N \l__chemformula_arrow_shortage_dim +\dim_new:N \l__chemformula_arrow_offset_dim \dim_set:Nn \l__chemformula_arrow_offset_dim { .75em } - -\dim_new:N \l__chemformula_compound_sep_dim +\dim_new:N \l__chemformula_compound_sep_dim \dim_set:Nn \l__chemformula_compound_sep_dim { .5em } - -\dim_new:N \l__chemformula_arrow_yshift_dim +\dim_new:N \l__chemformula_arrow_yshift_dim \dim_set:Nn \l__chemformula_arrow_yshift_dim { 0pt } +\tl_new:N \l__chemformula_arrow_ratio_tl +\tl_set:Nn \l__chemformula_arrow_ratio_tl { .6 } + % determine length in dependency of labels -\cs_new:Npn \chemformula_determine_arrow_length:NN #1#2 +\cs_new_protected:Npn \chemformula_determine_arrow_length:NN #1#2 { \box_set_eq:NN \l__chemformula_tmpa_box #1 \dim_set:Nn \l__chemformula_tmpa_dim { \box_wd:N \l__chemformula_tmpa_box } @@ -346,14 +359,14 @@ \box_new:N \l__chemformula_arrow_arg_ii_box % read optional arguments -\cs_new_nopar:Npn \l__chemformula_arrow_read_args:w +\cs_new:Npn \l__chemformula_arrow_read_args:w { \peek_meaning:NTF [ { \l__chemformula_arrow_read_args_aux_i:w } { \l__chemformula_arrow_read_args_aux_iii: } } -\cs_new_nopar:Npn \l__chemformula_arrow_read_args_aux_i:w [#1] +\cs_new_protected:Npn \l__chemformula_arrow_read_args_aux_i:w [#1] { \hbox_set:Nn \l__chemformula_arrow_arg_i_box { \tl_use:N \l__chemformula_arrow_label_style_tl #1 } @@ -362,14 +375,14 @@ { \l__chemformula_arrow_read_args_aux_iii: } } -\cs_new_nopar:Npn \l__chemformula_arrow_read_args_aux_ii:w [#1] +\cs_new_protected:Npn \l__chemformula_arrow_read_args_aux_ii:w [#1] { \hbox_set:Nn \l__chemformula_arrow_arg_ii_box { \tl_use:N \l__chemformula_arrow_label_style_tl #1 } \l__chemformula_arrow_read_args_aux_iii: } -\cs_new_nopar:Npn \l__chemformula_arrow_read_args_aux_iii: +\cs_new:Npn \l__chemformula_arrow_read_args_aux_iii: { % now we have both arguments do the actual drawing: \prop_get:NVN \l__chemformula_arrows_code_prop @@ -380,7 +393,7 @@ % get arrows (for the use in \ch to replace the symbol) % #1: symbol -\cs_new_nopar:Npn \chemformula_arrows_get:n #1 +\cs_new_protected:Npn \chemformula_arrows_get:n #1 { % first clear the arguments \box_clear:N \l__chemformula_arrow_arg_i_box @@ -391,11 +404,10 @@ } % draw the arrows -\cs_new_nopar:Npn \chemformula_arrow_draw:n #1 +\cs_new:Npn \chemformula_arrow_draw:n #1 { \chemmacros_allow_break: % prepare arrow code for drawing: - % TODO: flexible Pfeilspitzen, TikZ-Keys ermöglichen \tl_set_rescan:Nnn \l__chemformula_tmpc_tl { \char_set_catcode_letter:N \_ } { #1 } % determine length of the arrow @@ -536,7 +548,7 @@ %-----------------------------------------------------------------------------% \seq_new:N \l__chemformula_input_seq % MAIN COMMAND -\cs_new:Npn \chemformula_ch_main:n #1 +\cs_new_protected:Npn \chemformula_ch_main:n #1 { \group_begin: \seq_set_split:Nnn \l__chemformula_input_seq { ~ } { #1 } @@ -561,7 +573,7 @@ \group_end: } -\cs_new:Npn \chemformula_ch:nn #1#2 +\cs_new_protected:Npn \chemformula_ch:nn #1#2 { \group_align_safe_begin: \chemmacros_leave_vmode: @@ -576,7 +588,7 @@ % Trickery to use \ch inside align environment: % bypass \\: -\cs_new:Npn \chemformula_ch_aux_i:w #1 \\ #2 \q_stop +\cs_new_protected:Npn \chemformula_ch_aux_i:w #1 \\ #2 \q_stop { \chemformula_ch_aux_ii:w #1 & \q_no_value \q_stop \quark_if_no_value:nF { #2 } @@ -587,7 +599,7 @@ } % bypass &: -\cs_new:Npn \chemformula_ch_aux_ii:w #1 & #2 \q_stop +\cs_new_protected:Npn \chemformula_ch_aux_ii:w #1 & #2 \q_stop { \chemformula_ch_aux_iii:w #1 \label{} \q_no_value \q_stop \quark_if_no_value:nF { #2 } @@ -598,7 +610,7 @@ } % bypass \label: -\cs_new:Npn \chemformula_ch_aux_iii:w #1 \label#2 #3 \q_stop +\cs_new_protected:Npn \chemformula_ch_aux_iii:w #1 \label#2 #3 \q_stop { \chemformula_ch_aux_iv:w #1 \tag{} \q_no_value \q_stop \quark_if_no_value:nF { #3 } @@ -609,7 +621,7 @@ } % bypass \tag: -\cs_new:Npn \chemformula_ch_aux_iv:w #1 \tag#2 #3 \q_stop +\cs_new_protected:Npn \chemformula_ch_aux_iv:w #1 \tag#2 #3 \q_stop { \chemformula_ch_aux_v:w #1 \intertext{} \q_no_value \q_stop \quark_if_no_value:nF { #3 } @@ -620,7 +632,7 @@ } % bypass \intertext: -\cs_new:Npn \chemformula_ch_aux_v:w #1 \intertext#2 #3 \q_stop +\cs_new_protected:Npn \chemformula_ch_aux_v:w #1 \intertext#2 #3 \q_stop { \tl_gput_right:Nn \g__chemformula_output_tl { \chemformula_ch_main:n { #1 } } @@ -651,9 +663,9 @@ %-----------------------------------------------------------------------------% % arrow generation & detection -\cs_set:Nn \chemformula_generate_arrows:V +\cs_new:Npn \chemformula_generate_arrows:n #1 { - \tl_set:No \l__chemformula_tmpa_tl { #1 } + \tl_set:Nn \l__chemformula_tmpa_tl { #1 } \seq_map_inline:Nn \l__chemformula_arrows_type_seq { \tl_replace_all:Nnn \l__chemformula_tmpa_tl @@ -661,8 +673,9 @@ } \tl_set_eq:NN \l__chemformula_output_tl \l__chemformula_tmpa_tl } +\cs_generate_variant:Nn \chemformula_generate_arrows:n { V } -\cs_new:Npn \chemformula_detect_arrows:n #1 +\cs_new_protected:Npn \chemformula_detect_arrows:n #1 { \bool_set_false:N \l__chemformula_is_arrow_bool \prop_map_inline:Nn \l__chemformula_arrows_code_prop @@ -700,7 +713,7 @@ \) } -\cs_new:Npn \chemformula_generate_name:n #1 +\cs_new_protected:Npn \chemformula_generate_name:n #1 { \tl_set:Nn \l__chemformula_tmpa_tl { #1 } \tl_if_in:VnT \l__chemformula_tmpa_tl { ! } @@ -709,7 +722,7 @@ } \cs_generate_variant:Nn \chemformula_generate_name:n { V } -\cs_new:Npn \chemformula_detect_name:n #1 +\cs_new_protected:Npn \chemformula_detect_name:n #1 { \bool_set_false:N \l__chemformula_is_name_bool \tl_set:Nn \l__chemformula_tmpa_tl { #1 } @@ -729,10 +742,13 @@ \bool_new:N \l__chemformula_is_down_bool \bool_new:N \l__chemformula_is_arrow_bool \bool_new:N \l__chemformula_is_name_bool +\bool_new:N \l__chemformula_stoich_parse_iupac_bool \bool_new:N \l__chemformula_first_last_text_bool \bool_new:N \l__chemformula_first_last_double_bool \bool_new:N \l__chemformula_first_last_single_bool \bool_new:N \l__chemformula_first_last_math_bool +\bool_new:N \l__chemformula_first_last_dollar_bool +\bool_new:N \l__chemformula_first_last_mathbraces_bool \bool_new:N \l__chemformula_number_style_math_bool \bool_new:N \l__chemformula_charge_style_math_bool \bool_new:N \l__chemformula_sub_bool @@ -913,7 +929,7 @@ \chemmacros_skip_nobreak:N \l__chemformula_bond_space_dim } -\cs_new:Npn \chemformula_bond_draw:n #1 +\cs_new_protected:Npn \chemformula_bond_draw:n #1 { \tl_set_rescan:Nnn \l__chemformula_tmpa_tl {} { #1 } \exp_args:NNo \prop_get:Nn \l__chemformula_bonds_prop @@ -1046,11 +1062,11 @@ \cs_generate_variant:Nn \chemformula_charge_style:n { V } % subscripts -\tl_new:N \l__chemformula_subscript_tl +\tl_new:N \l__chemformula_subscript_tl \box_new:N \l__chemformula_subscript_box % remove double or nested sub- and superscripts -\cs_new:Npn \chemformula_subscript:n #1 +\cs_new_protected:Npn \chemformula_subscript:n #1 { \tl_if_eq:nnTF { #1 }{ \chemformula_superscript:n } { \chemformula_subscript_aux:n } @@ -1069,7 +1085,7 @@ } % handle subscripts -\cs_new:Npn \chemformula_subscript_aux:n #1 +\cs_new_protected:Npn \chemformula_subscript_aux:n #1 { \tl_put_right:Nn \l__chemformula_subscript_tl { #1 } \chemformula_clean_subscript: @@ -1088,7 +1104,7 @@ } \cs_generate_variant:Nn \chemformula_subscript_aux:n { o,V } -\cs_new:Npn \chemformula_clean_subscript: +\cs_new_protected:Npn \chemformula_clean_subscript: { \tl_replace_all:Nnn \l__chemformula_subscript_tl { \chemformula_single_bond: } { \chemformula_minus: } @@ -1128,7 +1144,7 @@ } \cs_generate_variant:Nn \chemformula_subscript_write:n { V } -\cs_new:Npn \chemformula_measure_subscript:n #1 +\cs_new_protected:Npn \chemformula_measure_subscript:n #1 { \hbox_set:Nn \l__chemformula_tmpa_box { \chemformula_subscript_write:n { #1 } } @@ -1139,11 +1155,11 @@ \cs_generate_variant:Nn \chemformula_measure_subscript:n { V } % superscripts -\tl_new:N \l__chemformula_superscript_tl +\tl_new:N \l__chemformula_superscript_tl \box_new:N \l__chemformula_superscript_box % remove double or nested sub- and superscripts -\cs_new:Npn \chemformula_superscript:n #1 +\cs_new_protected:Npn \chemformula_superscript:n #1 { \tl_if_eq:nnTF { #1 } { \chemformula_superscript:n } { \chemformula_superscript_aux:n } @@ -1162,7 +1178,7 @@ } % handle superscripts -\cs_new:Npn \chemformula_superscript_aux:n #1 +\cs_new_protected:Npn \chemformula_superscript_aux:n #1 { \tl_put_right:Nn \l__chemformula_superscript_tl { #1 } \chemformula_clean_superscript: @@ -1178,7 +1194,7 @@ } \cs_generate_variant:Nn \chemformula_superscript_aux:n { o,V } -\cs_new:Npn \chemformula_clean_superscript: +\cs_new_protected:Npn \chemformula_clean_superscript: { \tl_replace_all:Nnn \l__chemformula_superscript_tl { \chemformula_single_bond: } { \chemformula_minus: } @@ -1224,7 +1240,7 @@ } \cs_generate_variant:Nn \chemformula_superscript_write:n { V } -\cs_new:Npn \chemformula_measure_superscript:n #1 +\cs_new_protected:Npn \chemformula_measure_superscript:n #1 { \hbox_set:Nn \l__chemformula_tmpa_box { \chemformula_superscript_write:n { #1 } } @@ -1235,7 +1251,7 @@ \cs_generate_variant:Nn \chemformula_measure_superscript:n { V } % typeset both sub- and superscripts -\cs_new:Npn \chemformula_use_sub_and_superscript: +\cs_new_protected:Npn \chemformula_use_sub_and_superscript: { \group_begin: % No shift for excited state @@ -1326,7 +1342,7 @@ %-----------------------------------------------------------------------------% % read the input -\cs_new:Npn \chemformula_input:n #1 +\cs_new_protected:Npn \chemformula_input:n #1 { \tl_set_rescan:Nnn \l__chemformula_chemformula_tmpa_tl { @@ -1334,6 +1350,7 @@ \char_set_catcode_letter:N \} \char_set_catcode_letter:N \\ \char_set_catcode_other:N \" + \char_set_catcode_math_superscript:N \^ } { #1 } \chemformula_input_escape_text:V \l__chemformula_chemformula_tmpa_tl @@ -1351,10 +1368,12 @@ %-----------------------------------------------------------------------------% % set options for next compound: -\cs_new:Npn \chemformula_input_options:n #1 +\cs_new_protected:Npn \chemformula_input_options:n #1 { \makeatother - \tl_set_rescan:Nnn \l__chemformula_tmpa_tl { \makeatletter } { #1 } + \tl_set_rescan:Nnn \l__chemformula_tmpa_tl + { \char_set_catcode_letter:N \@ } + { #1 } \tl_if_in:VnTF \l__chemformula_tmpa_tl { @ } { \bool_set_true:N \l__chemformula_options_bool @@ -1368,7 +1387,7 @@ %-----------------------------------------------------------------------------% % input stoichiometric factors -\cs_new:Npn \chemformula_input_stoich:n #1 +\cs_new_protected:Npn \chemformula_input_stoich:n #1 { \bool_set_true:N \l__chemformula_stoich_bool \tl_put_right:Nn \l__chemformula_stoich_tl { \chemformula_font_inner: } @@ -1388,8 +1407,8 @@ \tl_set_rescan:Nno \l__chemformula_stoich_tl { \ExplSyntaxOn } { \l__chemformula_stoich_tl } - \exp_args:No \chemformula_parse_stoich:n - { \l__chemformula_stoich_tl } + \chemformula_parse_stoich:V + \l__chemformula_stoich_tl } } { \tl_clear:N \l__chemformula_stoich_tl } @@ -1397,20 +1416,16 @@ \cs_new:Npn \chemformula_bm:n #1 { #1 } -\cs_new:Npn \chemformula_parse_stoich:n #1 +\cs_new_protected:Npn \chemformula_parse_stoich:n #1 + { \__chemformula_parse_stoich:w #1 \q_nil } +\cs_generate_variant:Nn \chemformula_parse_stoich:n { V } + +\cs_new:Npn \__chemformula_parse_stoich:w \chemformula_font_inner: #1 \q_nil { - % TODO add support for missing leading 0 + \tl_put_right:Nn \l__chemformula_input_tl { \chemformula_font_inner: } \tl_if_in:nnTF { #1 } { ( } - { \tl_put_right:Nn \l__chemformula_input_tl { #1 } } - { - \tl_if_in:nnTF { #1 } { _ } - { \chemformula_parse_stoich_misc_frac:w #1 \q_nil } - { - \tl_if_in:nnTF { #1 } { / } - { \chemformula_parse_stoich_frac:w #1 \q_nil } - { \tl_put_right:Nn \l__chemformula_input_tl { #1 } } - } - } + { \__chemformula_parse_stoich_iupac:n { #1 } } + { \__chemformula_parse_stoich_regular:n { #1 } } } \DeclareInstance { xfrac } { chemformula-text-frac } { text } @@ -1419,18 +1434,57 @@ slash-right-kern = -.15em } -\cs_new:Npn \chemformula_parse_stoich_frac:w #1/#2 \q_nil +\cs_new:Npn \__chemformula_parse_stoich_regular:n #1 + { + \tl_if_in:nnTF { #1 } { / } + { \__chemformula_parse_stoich_frac:n { #1 } } + { \__chemformula_parse_stoich_decimal:n { #1 } } + } + +\cs_new_protected:Npn \__chemformula_parse_stoich_decimal:n #1 + { + % get head: + \tl_set:Nx \l__chemformula_tmpa_tl { \tl_head:n { #1 } } + \tl_set:Nx \l__chemformula_tmpb_tl { \l__chemformula_decimal_output_tl } + % check if stoich starts with decimal-marker and add leading 0 if so: + \tl_if_eq:NNTF \l__chemformula_tmpa_tl \l__chemformula_tmpb_tl + { \tl_put_right:Nn \l__chemformula_input_tl { 0#1 } } + { \tl_put_right:Nn \l__chemformula_input_tl { #1 } } + } + +\cs_new:Npn \__chemformula_parse_stoich_frac:n #1 + { + \tl_if_in:nnTF { #1 } { _ } + { \__chemformula_parse_stoich_misc_frac:w #1 \q_nil } + { \__chemformula_parse_stoich_frac:w #1 \q_nil } + } + +\cs_new_protected:Npn \__chemformula_parse_stoich_frac:w #1/#2 \q_nil { \tl_put_right:Nn \l__chemformula_input_tl { \chemformula_frac:nn { #1 } { #2 } } } -\cs_new:Npn \chemformula_parse_stoich_misc_frac:w #1_#2/#3 \q_nil +\cs_new_protected:Npn \__chemformula_parse_stoich_misc_frac:w #1_#2/#3 \q_nil { \tl_put_right:Nn \l__chemformula_input_tl { \chemformula_misc_frac:nnn { #1 } { #2 } { #3 } } } +\cs_new_protected:Npn \__chemformula_parse_stoich_iupac:n #1 + { + \bool_if:NTF \l__chemformula_stoich_parse_iupac_bool + { \__chemformula_parse_stoich_iupac:w #1 \q_nil } + { \tl_put_right:Nn \l__chemformula_input_tl { #1 } } + } + +\cs_new:Npn \__chemformula_parse_stoich_iupac:w (#1) \q_nil + { + \tl_put_right:Nn \l__chemformula_input_tl { ( } + \__chemformula_parse_stoich_regular:n { #1 } + \tl_put_right:Nn \l__chemformula_input_tl { ) } + } + \cs_new:Npn \chemformula_frac:nn #1#2 { \bool_if:NT \l__chemformula_xfrac_bool @@ -1453,7 +1507,7 @@ %-----------------------------------------------------------------------------% % input compounds -\cs_new:Npn \chemformula_input_cmpd:nN #1#2 +\cs_new_protected:Npn \chemformula_input_cmpd:nN #1#2 { \tl_if_blank:VTF \l__chemformula_stoich_tl { @@ -1509,7 +1563,7 @@ } \cs_generate_variant:Nn \chemformula_input_cmpd:nN { VN } -\cs_new:Npn \chemformula_font_inner: +\cs_new_protected:Npn \chemformula_font_inner: { \bool_if:NT \l__chemformula_fss_bool { @@ -1540,11 +1594,12 @@ \cs_new:Npn \chemformula_fontspec_aux:w [#1]#2 \q_stop { \newfontfamily \chemformula_font: [ #1 ] { #2 } } -\cs_new:Npn \chemformula_sanitize:Nn #1#2 +\cs_new_protected:Npn \chemformula_sanitize:Nn #1#2 { \tl_set_rescan:Nnn #1 { \char_set_catcode_letter:N \_ + \char_set_catcode_math_superscript:N \^ \char_set_catcode_letter:N \{ \char_set_catcode_letter:N \} \char_set_catcode_letter:N \\ @@ -1553,16 +1608,17 @@ { #2 } } -\cs_new:Npn \chemformula_handle_sub_and_superscripts:nN #1#2 +\cs_generate_variant:Nn \tl_if_in:nnT { x } +\cs_new_protected:Npn \chemformula_handle_sub_and_superscripts:nN #1#2 { \chemformula_sanitize:Nn \l__chemformula_tmpa_tl { #1 } % let's see if the compound starts with a sub- or superscript: - \exp_args:Nx \tl_if_in:nnT { \tl_head:V \l__chemformula_tmpa_tl } { ^ } + \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { ^ } { \tl_put_left:Nn \l__chemformula_tmpa_tl { \bool_set_true:N \l__chemformula_is_isotope_bool } } - \exp_args:Nx \tl_if_in:nnT { \tl_head:V \l__chemformula_tmpa_tl } { _ } + \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { _ } { \tl_put_left:Nn \l__chemformula_tmpa_tl { \bool_set_true:N \l__chemformula_is_isotope_bool } @@ -1618,7 +1674,7 @@ %-----------------------------------------------------------------------------% % clean up chemmacros commands: -\cs_new:Npn \chemformula_clean_chem_macros:n #1 +\cs_new_protected:Npn \chemformula_clean_chem_macros:n #1 { \cs_set:Nn \chemmacros_text:n { @@ -1632,7 +1688,7 @@ %-----------------------------------------------------------------------------% % input "and" sign -\cs_new:Npn \chemformula_input_plus:n #1 +\cs_new_protected:Npn \chemformula_input_plus:n #1 { \tl_if_eq:nnT { #1 } { + } { @@ -1648,16 +1704,31 @@ %-----------------------------------------------------------------------------% % input escaping gas -\cs_new:Npn \chemformula_input_up:n #1 +\tl_new:N \g__chemformula_input_up_tl +\cs_new_protected:Npn \chemformula_input_up:n #1 { - \tl_if_eq:nnT { #1 } { ^ } - { \tl_put_right:Nn \l__chemformula_input_tl { $\uparrow$ } } + \group_begin: + % ensure ^ has catcode 7 + % (else chemmacros wouldn't work with e.g. `breqn') + \chemformula_sanitize:Nn \g__chemformula_input_up_tl { #1 } + \char_set_catcode_math_superscript:N \^ + \__chemformula_input_up:V \g__chemformula_input_up_tl + } + +\cs_new_protected:Npn \__chemformula_input_up:n #1 + { + \tl_gclear:N \g__chemformula_input_up_tl + \tl_if_eq:nnT { #1 } { ^ } + { \tl_gset:Nn \g__chemformula_input_up_tl { $\uparrow$ } } + \group_end: + \tl_put_right:NV \l__chemformula_input_tl \g__chemformula_input_up_tl \bool_set_false:N \l__chemformula_is_up_bool } +\cs_generate_variant:Nn \__chemformula_input_up:n { V } %-----------------------------------------------------------------------------% % input precipitate -\cs_new:Npn \chemformula_input_down:n #1 +\cs_new_protected:Npn \chemformula_input_down:n #1 { \tl_if_eq:nnT { #1 } { v } { \tl_put_right:Nn \l__chemformula_input_tl { $\downarrow$ } } @@ -1666,7 +1737,7 @@ %-----------------------------------------------------------------------------% % input arrow -\cs_new:Npn \chemformula_input_arrow:n #1 +\cs_new_protected:Npn \chemformula_input_arrow:n #1 { \bool_if:nT { @@ -1681,7 +1752,7 @@ %-----------------------------------------------------------------------------% % input compound name -\cs_new:Npn \chemformula_input_name:n #1 +\cs_new_protected:Npn \chemformula_input_name:n #1 { \bool_if:nT { @@ -1695,7 +1766,29 @@ %-----------------------------------------------------------------------------% % input escaped text -\cs_new:Npn \chemformula_input_escape_text:n #1 +% #1: #2: #3: #4: +\cs_new_protected:Npn \__chemformula_bool_set_if_first_last:Nnnn #1#2#3#4 + { + \int_zero:N \l__chemformula_tmpa_int + \int_zero:N \l__chemformula_tmpb_int + \int_set:Nn \l__chemformula_tmpa_int { \tl_count:n { #2 } } + \tl_map_inline:nn { #2 } + { + \int_incr:N \l__chemformula_tmpb_int + \int_compare:nT { \l__chemformula_tmpb_int = 1 } + { + \tl_if_eq:nnT { ##1 } { #3 } + { \bool_set_true:N #1 } + } + \int_compare:nT { \l__chemformula_tmpb_int = \l__chemformula_tmpa_int } + { + \tl_if_eq:nnF { ##1 } { #4 } + { \bool_set_false:N #1 } + } + } + } + +\cs_new_protected:Npn \chemformula_input_escape_text:n #1 { \chemformula_first_last_text:n { #1 } \bool_if:NT \l__chemformula_first_last_double_bool @@ -1711,129 +1804,110 @@ } \cs_generate_variant:Nn \chemformula_input_escape_text:n { V } -\cs_new:Npn \chemformula_read_escape_double:w "#1" \q_nil +\cs_new_protected:Npn \__chemformula_read_escape_text:n #1 { \tl_set_rescan:Nnn \l__chemformula_tmpa_tl - { \ExplSyntaxNamesOn \char_set_catcode_other:N \: } - { { #1 } } + { + \char_set_catcode_letter:N \_ + \char_set_catcode_other:N \: + } + { #1 } \tl_replace_all:Nnn \l__chemformula_tmpa_tl { \_ } { chemformulaplaceholder } \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { _ } { \sb } % TODO use \c_math_subscript_token + { _ } { \sb } \tl_replace_all:Nnn \l__chemformula_tmpa_tl { chemformulaplaceholder } { \_ } \tl_set_rescan:Nno \l__chemformula_tmpa_tl - { \ExplSyntaxOff } { \l__chemformula_tmpa_tl } + { }% TODO da war \ExplSyntaxOff drin: brauchts das? + { \l__chemformula_tmpa_tl } \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl } +\cs_new:Npn \chemformula_read_escape_double:w "#1" \q_nil + { \__chemformula_read_escape_text:n { #1 } } + \cs_new:Npn \chemformula_read_escape_single:w '#1' \q_nil - { - \tl_set_rescan:Nnn \l__chemformula_tmpa_tl - { \ExplSyntaxNamesOn \char_set_catcode_other:N \: } - { { #1 } } - \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { \_ } { chemformulaplaceholder } - \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { _ } { \sb } % TODO use \c_math_subscript_token? - \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { chemformulaplaceholder } { \_ } - \tl_set_rescan:Nno \l__chemformula_tmpa_tl - { \ExplSyntaxOff } { \l__chemformula_tmpa_tl } - \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl - } + { \__chemformula_read_escape_text:n { #1 } } -\cs_new:Npn \chemformula_first_last_text:n #1 +\cs_new_protected:Npn \chemformula_first_last_text:n #1 { \bool_set_false:N \l__chemformula_first_last_double_bool \bool_set_false:N \l__chemformula_first_last_single_bool \bool_set_false:N \l__chemformula_first_last_text_bool - \int_zero:N \l__chemformula_tmpa_int - \int_zero:N \l__chemformula_tmpb_int - \tl_map_inline:nn { #1 } { \int_incr:N \l__chemformula_tmpa_int } - \tl_map_inline:nn { #1 } - { - \int_incr:N \l__chemformula_tmpb_int - \int_compare:nT { \l__chemformula_tmpb_int = 1 } - { - \tl_if_eq:nnT { ##1 } { " } - { \bool_set_true:N \l__chemformula_first_last_double_bool } - } - \int_compare:nT { \l__chemformula_tmpb_int = \l__chemformula_tmpa_int } - { - \tl_if_eq:nnF { ##1 } { " } - { \bool_set_false:N \l__chemformula_first_last_double_bool } - } - } + \__chemformula_bool_set_if_first_last:Nnnn + \l__chemformula_first_last_double_bool + { #1 } + { " } { " } \bool_if:NF \l__chemformula_first_last_double_bool { - \int_zero:N \l__chemformula_tmpb_int - \tl_map_inline:nn { #1 } - { - \int_incr:N \l__chemformula_tmpb_int - \int_compare:nT { \l__chemformula_tmpb_int = 1 } - { - \tl_if_eq:nnT { ##1 } { ' } - { \bool_set_true:N \l__chemformula_first_last_single_bool } - } - \int_compare:nT { \l__chemformula_tmpb_int = \l__chemformula_tmpa_int } - { - \tl_if_eq:nnF { ##1 } { ' } - { \bool_set_false:N \l__chemformula_first_last_single_bool } - } - } + \__chemformula_bool_set_if_first_last:Nnnn + \l__chemformula_first_last_single_bool + { #1 } + { ' } { ' } } } %-----------------------------------------------------------------------------% % input escaped math -\cs_new:Npn \chemformula_input_escape_math:n #1 +\cs_new_protected:Npn \chemformula_input_escape_math:n #1 { \chemformula_first_last_math:n { #1 } - \bool_if:NT \l__chemformula_first_last_math_bool - { \chemformula_read_escape_math:w #1 \q_nil } + \bool_if:NT \l__chemformula_first_last_dollar_bool + { + \bool_set_true:N \l__chemformula_first_last_math_bool + \chemformula_read_escape_dollar:w #1 \q_nil + } + \bool_if:NT \l__chemformula_first_last_mathbraces_bool + { + \bool_set_true:N \l__chemformula_first_last_math_bool + \chemformula_read_escape_mathbraces:w #1 \q_nil + } } -\cs_new:Npn \chemformula_read_escape_math:w $#1$ \q_nil +\cs_new_protected:Npn \__chemformula_read_escape_math:n #1 { \tl_set_rescan:Nnn \l__chemformula_tmpa_tl { - \ExplSyntaxNamesOn \char_set_catcode_letter:N \{ - \char_set_catcode_letter:N \} + \char_set_catcode_letter:N \_ + \char_set_catcode_letter:N \: } - { \mbox { \( #1 \) } } + { \( #1 \) } \tl_replace_all:Nnn \l__chemformula_tmpa_tl { \_ } { chemformulaplaceholder } \tl_replace_all:Nnn \l__chemformula_tmpa_tl - { _ } { \sb } % TODO use \c_math_subscript_token + { _ } { \sb } \tl_replace_all:Nnn \l__chemformula_tmpa_tl { chemformulaplaceholder } { \_ } \tl_set_rescan:Nno \l__chemformula_tmpa_tl - { \ExplSyntaxOff } { \l__chemformula_tmpa_tl } + { }% TODO da war \ExplSyntaxOff drin: brauchts das? + { \l__chemformula_tmpa_tl } \tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl \tl_put_right:Nn \l__chemformula_input_tl { \skip_horizontal:N \l__chemformula_math_space_skip } } -\cs_new:Npn \chemformula_first_last_math:n #1 +\cs_new:Npn \chemformula_read_escape_dollar:w $#1$ \q_nil + { \__chemformula_read_escape_math:n { #1 } } + +\cs_new:Npn \chemformula_read_escape_mathbraces:w \(#1\) \q_nil + { \__chemformula_read_escape_math:n { #1 } } + +\cs_new_protected:Npn \chemformula_first_last_math:n #1 { \bool_set_false:N \l__chemformula_first_last_math_bool - \int_zero:N \l__chemformula_tmpa_int - \int_zero:N \l__chemformula_tmpb_int - \tl_map_inline:nn { #1 } { \int_incr:N \l__chemformula_tmpa_int } - \tl_map_inline:nn { #1 } + \bool_set_false:N \l__chemformula_first_last_dollar_bool + \bool_set_false:N \l__chemformula_first_last_mathbraces_bool + \__chemformula_bool_set_if_first_last:Nnnn + \l__chemformula_first_last_dollar_bool + { #1 } + { $ } { $ } + \bool_if:NF \l__chemformula_first_last_dollar_bool { - \int_incr:N \l__chemformula_tmpb_int - \int_compare:nT { \l__chemformula_tmpb_int = 1 } - { - \tl_if_eq:nnT { ##1 } { $ } - { \bool_set_true:N \l__chemformula_first_last_math_bool } - } - \int_compare:nT { \l__chemformula_tmpb_int = \l__chemformula_tmpa_int } - { - \tl_if_eq:nnF { ##1 } { $ } - { \bool_set_false:N \l__chemformula_first_last_math_bool } - } + \__chemformula_bool_set_if_first_last:Nnnn + \l__chemformula_first_last_mathbraces_bool + { #1 } + { \( } { \) } } } @@ -1878,6 +1952,7 @@ \bool_set_false:N \l__chemformula_xfrac_bool \bool_set_true:N \l__chemformula_nicefrac_bool \bool_set_false:N \l__chemformula_mathfrac_bool , + stoich-iupac-parse .bool_set:N = \l__chemformula_stoich_parse_iupac_bool , stoich-space .skip_set:N = \l__chemformula_stoich_space_skip , adduct-space .dim_set:N = \l__chemformula_cdot_space_dim , plus-space .skip_set:N = \l__chemformula_plus_space_skip , diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty index abab3ca94d1..e8212bf0bff 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty @@ -29,8 +29,8 @@ \RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx } \RequirePackage{ tikz , mathtools , environ , scrlfile , etoolbox , bm } \usetikzlibrary{calc,arrows} -\def\chemmacros@version{3.5} -\def\chemmacros@date{2013/01/28} +\def\chemmacros@version{3.5a} +\def\chemmacros@date{2013/02/19} \ProvidesExplPackage {chemmacros} @@ -420,7 +420,7 @@ % --------------------------------------------------------------------------- % % language settings: -\prop_new:N \l__chemmacros_language_prop +\prop_new:N \l__chemmacros_language_prop \prop_put:Nnn \l__chemmacros_language_prop { english } { english } \prop_put:Nnn \l__chemmacros_language_prop { american } { english } \prop_put:Nnn \l__chemmacros_language_prop { british } { english } @@ -527,10 +527,7 @@ \cs_new:Npn \ChemDelta { \ensuremath { \Delta } } \cs_new:Npn \chemmacros_xspace: - { - \bool_if:NT \l__chemmacros_xspace_bool - { \xspace } - } + { \bool_if:NT \l__chemmacros_xspace_bool { \xspace } } % --------------------------------------------------------------------------- % % TikZ drawings @@ -733,7 +730,6 @@ \bool_new:N \l__chemmacros_charge_append_bool \bool_set_false:N \l__chemmacros_charge_append_bool -% TODO separate document and module level % \DeclareChemParticle, \RenewChemParticle \bool_if:NTF \l__chemmacros_use_mhchem_bool { @@ -2811,7 +2807,7 @@ \l__chemmacros_thermod_delta_default_tl } -% TODO: separate document and module lavel +% TODO: separate document and module level % \DeclareChemState[]{}{}{} \bool_if:NF \l__chemmacros_version_one_bool { @@ -3960,6 +3956,16 @@ Version history - changed defaults for horizontal spaces that have in set in ex into corresponding values in em. - improvements to the placement of sub- and superscripts +2012/02/19 - version 3.5a - bug fix: `ghsystem' recognizes language again +2013/??/?? - version 3.6 - support for use with the `breqn' package + - chemformula: math escaping also via \(\) + - chemformula: clearer escaping macros + - new options: `radical-vshift', `radical-hshift' + and `radical-space' + - bug fix: `radical-...' options are now correctly set + - stoichiometric factors: add leading 0 if missing + - internal changes: be way more rigid about protected + and expandable macros % --------------------------------------------------------------------------- % % TODO: diff --git a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty index e7e4a25ff0d..72485964f2e 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty @@ -149,7 +149,7 @@ { \prop_map_inline:Nn \l__chemmacros_language_prop { - \bool_if:cT { l_chemmacros_#1_bool } + \bool_if:cT { l__chemmacros_#1_bool } { \file_if_exist:nTF { language / ghsystem_#2.def } { @@ -163,7 +163,7 @@ { \prop_map_inline:Nn \l__chemmacros_language_prop { - \bool_if:cT { l_chemmacros_#1_bool } + \bool_if:cT { l__chemmacros_#1_bool } { \file_if_exist:nTF { ghsystem_#2.def } { @@ -196,8 +196,8 @@ language .code:n = \bool_set_true:c { l__ghsystem_#1_bool } \bool_if:NTF \l__ghsystem_language_directory_bool - { \input { language / ghsystem_#1.def } \ExplSyntaxOn } - { \input { ghsystem_#1.def } \ExplSyntaxOn } , + { \input { language / ghsystem_#1.def } } + { \input { ghsystem_#1.def } } , % \ghs options: hide .bool_set:N = \l__ghsystem_hide_statement_bool , -- cgit v1.2.3