diff options
author | Karl Berry <karl@freefriends.org> | 2013-01-05 23:15:38 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2013-01-05 23:15:38 +0000 |
commit | b9d92c52672849ee2fd167c6675df004d6fa7125 (patch) | |
tree | 4f36277efbb2afaeacc766043f8b00ffd9fbaa4a /Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty | |
parent | 487ae2279c7304e42a409a4c024234f7c9ddb0c7 (diff) |
chemmacros (5jan13)
git-svn-id: svn://tug.org/texlive/trunk@28740 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty')
-rw-r--r-- | Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty | 1891 |
1 files changed, 947 insertions, 944 deletions
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty index 3c4c74bc299..26b5fae721b 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty @@ -12,7 +12,7 @@ % - If you have any ideas, questions, suggestions or bugs to report, please - % % - feel free to contact me. - % % --------------------------------------------------------------------------- % -% - Copyright 2011-2012 Clemens Niederberger - % +% - Copyright 2011-2013 Clemens Niederberger - % % - - % % - This work may be distributed and/or modified under the - % % - conditions of the LaTeX Project Public License, either version 1.3 - % @@ -29,8 +29,8 @@ \RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx } \RequirePackage{ tikz , mathtools , environ , scrlfile , etoolbox , bm } \usetikzlibrary{calc,arrows} -\def\chemmacros@version{3.4a} -\def\chemmacros@date{2012/10/03} +\def\chemmacros@version{3.4b} +\def\chemmacros@date{2013/01/04} \ProvidesExplPackage {chemmacros} @@ -40,51 +40,51 @@ \@ifpackageloaded { chemformula } {} { \RequirePackage { chemformula } } -\bool_new:N \l_chemmacros_version_one_bool -\bool_new:N \l_chemmacros_xspace_bool - \bool_set_true:N \l_chemmacros_xspace_bool -\bool_new:N \l_chemmacros_bpchem_bool -\bool_new:N \l_chemmacros_circled_bool - \bool_set_true:N \l_chemmacros_circled_bool -\bool_new:N \l_chemmacros_circled_formal_bool - \bool_set_true:N \l_chemmacros_circled_formal_bool -\bool_new:N \l_chemmacros_circled_chem_bool - \bool_set_true:N \l_chemmacros_circled_chem_bool -\bool_new:N \l_chemmacros_EZ_cool_bool -\bool_new:N \l_chemmacros_Nu_mathspec_bool -\bool_new:N \l_chemmacros_use_mhchem_bool -\bool_new:N \l_chemmacros_chemstyle_bool -\bool_new:N \l_chemmacros_hyperref_bool -\bool_new:N \l_chemmacros_varioref_bool -\bool_new:N \l_chemmacros_chemfig_bool -\bool_new:N \l_chemmacros_ghsystem_bool - \bool_set_true:N \l_chemmacros_ghsystem_bool -\bool_new:N \l_chemmacros_iupac_restricted_bool -\bool_new:N \l_chemmacros_iupac_strict_bool -\bool_new:N \l_chemmacros_in_document_bool +\bool_new:N \l__chemmacros_version_one_bool +\bool_new:N \l__chemmacros_xspace_bool + \bool_set_true:N \l__chemmacros_xspace_bool +\bool_new:N \l__chemmacros_bpchem_bool +\bool_new:N \l__chemmacros_circled_bool + \bool_set_true:N \l__chemmacros_circled_bool +\bool_new:N \l__chemmacros_circled_formal_bool + \bool_set_true:N \l__chemmacros_circled_formal_bool +\bool_new:N \l__chemmacros_circled_chem_bool + \bool_set_true:N \l__chemmacros_circled_chem_bool +\bool_new:N \l__chemmacros_EZ_cool_bool +\bool_new:N \l__chemmacros_Nu_mathspec_bool +\bool_new:N \l__chemmacros_use_mhchem_bool +\bool_new:N \l__chemmacros_chemstyle_bool +\bool_new:N \l__chemmacros_hyperref_bool +\bool_new:N \l__chemmacros_varioref_bool +\bool_new:N \l__chemmacros_chemfig_bool +\bool_new:N \l__chemmacros_ghsystem_bool + \bool_set_true:N \l__chemmacros_ghsystem_bool +\bool_new:N \l__chemmacros_iupac_restricted_bool +\bool_new:N \l__chemmacros_iupac_strict_bool +\bool_new:N \l__chemmacros_in_document_bool \AtBeginDocument { - \bool_set_true:N \l_chemmacros_in_document_bool + \bool_set_true:N \l__chemmacros_in_document_bool \@ifpackageloaded { chemstyle } - { \bool_set_true:N \l_chemmacros_chemstyle_bool } - { \bool_set_false:N \l_chemmacros_chemstyle_bool } + { \bool_set_true:N \l__chemmacros_chemstyle_bool } + { \bool_set_false:N \l__chemmacros_chemstyle_bool } \@ifpackageloaded { varioref } - { \bool_set_true:N \l_chemmacros_varioref_bool } - { \bool_set_false:N \l_chemmacros_varioref_bool } + { \bool_set_true:N \l__chemmacros_varioref_bool } + { \bool_set_false:N \l__chemmacros_varioref_bool } \@ifpackageloaded { hyperref } - { \bool_set_true:N \l_chemmacros_hyperref_bool } - { \bool_set_false:N \l_chemmacros_hyperref_bool } + { \bool_set_true:N \l__chemmacros_hyperref_bool } + { \bool_set_false:N \l__chemmacros_hyperref_bool } \@ifpackageloaded { chemfig } - { \bool_set_true:N \l_chemmacros_chemfig_bool } - { \bool_set_false:N \l_chemmacros_chemfig_bool } + { \bool_set_true:N \l__chemmacros_chemfig_bool } + { \bool_set_false:N \l__chemmacros_chemfig_bool } } % --------------------------------------------------------------------------- % % warning / error messages \cs_new:Npn \chemmacros_msg:nnxx #1#2#3#4 { - \bool_if:NTF \l_chemmacros_strict_bool + \bool_if:NTF \l__chemmacros_strict_bool { \msg_error:nnxx { #1 } { #2 } { #3 } { #4 } } { \msg_warning:nnxx { #1 } { #2 } { #3 } { #4 } } } @@ -265,9 +265,9 @@ % --------------------------------------------------------------------------- % % scratch variables -\tl_new:N \l_chemmacros_tmpa_tl -\tl_new:N \l_chemmacros_tmpb_tl -\int_new:N \l_chemmacros_tmpa_int +\tl_new:N \l__chemmacros_tmpa_tl +\tl_new:N \l__chemmacros_tmpb_tl +\int_new:N \l__chemmacros_tmpa_int % --------------------------------------------------------------------------- % % package options @@ -286,45 +286,45 @@ % version=1 => compatibility for documents set with v1.* % xspace => add an \xspace after a whole bunch of macros -\bool_new:N \l_chemmacros_strict_bool -\bool_new:N \l_chemmacros_detect_bold_bool -\bool_set_true:N \l_chemmacros_detect_bold_bool +\bool_new:N \l__chemmacros_strict_bool +\bool_new:N \l__chemmacros_detect_bold_bool +\bool_set_true:N \l__chemmacros_detect_bold_bool -\bool_new:N \l_chemmacros_use_upgreek_bool -\bool_new:N \l_chemmacros_use_textgreek_bool -\bool_new:N \l_chemmacros_option_upgreek_set_bool +\bool_new:N \l__chemmacros_use_upgreek_bool +\bool_new:N \l__chemmacros_use_textgreek_bool +\bool_new:N \l__chemmacros_option_upgreek_set_bool -\tl_new:N \l_chemmacros_language_tl -\tl_set:Nn \l_chemmacros_language_tl { english } -\tl_new:N \l_chemmacros_current_language_tl -\tl_set:Nn \l_chemmacros_current_language_tl { english } +\tl_new:N \l__chemmacros_language_tl +\tl_set:Nn \l__chemmacros_language_tl { english } +\tl_new:N \l__chemmacros_current_language_tl +\tl_set:Nn \l__chemmacros_current_language_tl { english } \cs_new:Npn \chemmacros_inner_font: {} \keys_define:nn { chemmacros / option } { - bpchem .bool_set:N = \l_chemmacros_bpchem_bool , + bpchem .bool_set:N = \l__chemmacros_bpchem_bool , bpchem .default:n = true , circletype .choice: , circletype / math .code:n = - { \bool_set_false:N \l_chemmacros_circled_chem_bool } , + { \bool_set_false:N \l__chemmacros_circled_chem_bool } , circletype / chem .code:n = - { \bool_set_true:N \l_chemmacros_circled_chem_bool } , + { \bool_set_true:N \l__chemmacros_circled_chem_bool } , circled .choice: , circled / none .code:n = { - \bool_set_false:N \l_chemmacros_circled_bool - \bool_set_false:N \l_chemmacros_circled_formal_bool + \bool_set_false:N \l__chemmacros_circled_bool + \bool_set_false:N \l__chemmacros_circled_formal_bool } , circled / formal .code:n = { - \bool_set_true:N \l_chemmacros_circled_bool - \bool_set_true:N \l_chemmacros_circled_formal_bool + \bool_set_true:N \l__chemmacros_circled_bool + \bool_set_true:N \l__chemmacros_circled_formal_bool } , circled / all .code:n = { - \bool_set_true:N \l_chemmacros_circled_bool - \bool_set_false:N \l_chemmacros_circled_formal_bool + \bool_set_true:N \l__chemmacros_circled_bool + \bool_set_false:N \l__chemmacros_circled_formal_bool } , circled .default:n = all , detect-bold .code:n = @@ -333,33 +333,33 @@ EZ .code:n = \chemmacros_msg:nnxx { chemmacros } { option-deprecated } { EZ } {} , german .code:n = - \tl_set:Nn \l_chemmacros_language_tl { german } , + \tl_set:Nn \l__chemmacros_language_tl { german } , ngerman .code:n = - \tl_set:Nn \l_chemmacros_language_tl { ngerman } , - ghsystem .bool_set:N = \l_chemmacros_ghsystem_bool , + \tl_set:Nn \l__chemmacros_language_tl { ngerman } , + ghsystem .bool_set:N = \l__chemmacros_ghsystem_bool , ghsystem .default:n = true , iupac .choice: , iupac / restricted .code:n = - \bool_set_true:N \l_chemmacros_iupac_restricted_bool - \bool_set_false:N \l_chemmacros_iupac_strict_bool , + \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 , + \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 , - language .tl_set:N = \l_chemmacros_language_tl , + \bool_set_false:N \l__chemmacros_iupac_restricted_bool + \bool_set_true:N \l__chemmacros_iupac_strict_bool , + language .tl_set:N = \l__chemmacros_language_tl , method .choice: , method / chemformula .code:n = - \bool_set_false:N \l_chemmacros_use_mhchem_bool , + \bool_set_false:N \l__chemmacros_use_mhchem_bool , method / mhchem .code:n = - \bool_set_true:N \l_chemmacros_use_mhchem_bool , + \bool_set_true:N \l__chemmacros_use_mhchem_bool , Nu .choice: , Nu / mathspec .code:n = - \bool_set_true:N \l_chemmacros_Nu_mathspec_bool , + \bool_set_true:N \l__chemmacros_Nu_mathspec_bool , Nu / chemmacros .code:n = - \bool_set_false:N \l_chemmacros_Nu_mathspec_bool , - strict .bool_set:N = \l_chemmacros_strict_bool , + \bool_set_false:N \l__chemmacros_Nu_mathspec_bool , + strict .bool_set:N = \l__chemmacros_strict_bool , strict .default:n = true , synchronize .choice: , synchronize / true .code:n = @@ -368,17 +368,17 @@ synchronize .default:n = true , greek .choice: , greek / upgreek .code:n = - \bool_set_true:N \l_chemmacros_use_upgreek_bool - \bool_set_false:N \l_chemmacros_use_textgreek_bool - \bool_set_true:N \l_chemmacros_option_upgreek_set_bool , + \bool_set_true:N \l__chemmacros_use_upgreek_bool + \bool_set_false:N \l__chemmacros_use_textgreek_bool + \bool_set_true:N \l__chemmacros_option_upgreek_set_bool , greek / textgreek .code:n = - \bool_set_false:N \l_chemmacros_use_upgreek_bool - \bool_set_true:N \l_chemmacros_use_textgreek_bool - \bool_set_true:N \l_chemmacros_option_upgreek_set_bool , + \bool_set_false:N \l__chemmacros_use_upgreek_bool + \bool_set_true:N \l__chemmacros_use_textgreek_bool + \bool_set_true:N \l__chemmacros_option_upgreek_set_bool , greek / math .code:n = - \bool_set_false:N \l_chemmacros_use_upgreek_bool - \bool_set_false:N \l_chemmacros_use_textgreek_bool - \bool_set_true:N \l_chemmacros_option_upgreek_set_bool , + \bool_set_false:N \l__chemmacros_use_upgreek_bool + \bool_set_false:N \l__chemmacros_use_textgreek_bool + \bool_set_true:N \l__chemmacros_option_upgreek_set_bool , greek .default:n = upgreek , upgreek .code:n = \chemmacros_msg:nnxx { chemmacros } { option-deprecated } @@ -390,12 +390,12 @@ { version } {} , cmversion .choice: , cmversion / 1 .code:n = - { \bool_set_true:N \l_chemmacros_version_one_bool } , + { \bool_set_true:N \l__chemmacros_version_one_bool } , cmversion / 2 .code:n = - { \bool_set_false:N \l_chemmacros_version_one_bool } , + { \bool_set_false:N \l__chemmacros_version_one_bool } , cmversion / bundle .code:n = - { \bool_set_false:N \l_chemmacros_version_one_bool } , - xspace .bool_set:N = \l_chemmacros_xspace_bool , + { \bool_set_false:N \l__chemmacros_version_one_bool } , + xspace .bool_set:N = \l__chemmacros_xspace_bool , xspace .default:n = true } @@ -403,34 +403,34 @@ % --------------------------------------------------------------------------- % % language settings: -\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 } -\prop_put:Nnn \l_chemmacros_language_prop { german } { german } -\prop_put:Nnn \l_chemmacros_language_prop { ngerman } { german } -\prop_put:Nnn \l_chemmacros_language_prop { italian } { italian } -\prop_put:Nnn \l_chemmacros_language_prop { french } { french } +\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 } +\prop_put:Nnn \l__chemmacros_language_prop { german } { german } +\prop_put:Nnn \l__chemmacros_language_prop { ngerman } { german } +\prop_put:Nnn \l__chemmacros_language_prop { italian } { italian } +\prop_put:Nnn \l__chemmacros_language_prop { french } { french } -\prop_map_inline:Nn \l_chemmacros_language_prop +\prop_map_inline:Nn \l__chemmacros_language_prop { - \cs_if_exist:cF { l_chemmacros_ #2 _bool } - { \bool_new:c { l_chemmacros_ #2 _bool } } + \cs_if_exist:cF { l__chemmacros_ #2 _bool } + { \bool_new:c { l__chemmacros_ #2 _bool } } } \cs_new_nopar:Npn \chemmacros_set_language: { \prop_get:NoNTF - \l_chemmacros_language_prop - { \l_chemmacros_language_tl } - \l_chemmacros_current_language_tl + \l__chemmacros_language_prop + { \l__chemmacros_language_tl } + \l__chemmacros_current_language_tl { \bool_set_true:c - { l_chemmacros_ \l_chemmacros_current_language_tl _bool } + { l__chemmacros_ \l__chemmacros_current_language_tl _bool } } { \chemmacros_msg:nnxx { chemmacros } { language-not-defined } - { \l_chemmacros_language_tl } { } + { \l__chemmacros_language_tl } { } } } @@ -438,25 +438,25 @@ { \chemmacros_set_language: \chemmacros_make_phases: - \bool_if:NT \l_chemmacros_ghsystem_bool + \bool_if:NT \l__chemmacros_ghsystem_bool { \RequirePackage { ghsystem } } - \bool_if:NT \l_chemmacros_bpchem_bool + \bool_if:NT \l__chemmacros_bpchem_bool { \RequirePackage { bpchem } } - \bool_if:NT \l_chemmacros_xspace_bool + \bool_if:NT \l__chemmacros_xspace_bool { \RequirePackage { xspace } } - \bool_if:NT \l_chemmacros_use_mhchem_bool + \bool_if:NT \l__chemmacros_use_mhchem_bool { \RequirePackage[ version=3 ]{ mhchem } } - \bool_if:NF \l_chemmacros_option_upgreek_set_bool + \bool_if:NF \l__chemmacros_option_upgreek_set_bool { \@ifpackageloaded { upgreek } - { \bool_set_true:N \l_chemmacros_use_upgreek_bool } + { \bool_set_true:N \l__chemmacros_use_upgreek_bool } { \@ifpackageloaded { textgreek } - { \bool_set_true:N \l_chemmacros_use_textgreek_bool } + { \bool_set_true:N \l__chemmacros_use_textgreek_bool } {} } } - \bool_if:NTF \l_chemmacros_use_upgreek_bool + \bool_if:NTF \l__chemmacros_use_upgreek_bool { \cs_set_nopar:Npn \Chemalpha { \ensuremath { \upalpha } } \cs_set_nopar:Npn \Chembeta { \ensuremath { \upbeta } } @@ -474,7 +474,7 @@ \cs_set_nopar:Npn \ChemDelta { \ensuremath { \Updelta } } } { - \bool_if:NT \l_chemmacros_use_textgreek_bool + \bool_if:NT \l__chemmacros_use_textgreek_bool { \cs_set_nopar:Npn \Chemalpha { \ensuremath { \text { \textalpha } } } @@ -525,7 +525,7 @@ \cs_new_nopar:Npn \chemmacros_xspace: { - \bool_if:NT \l_chemmacros_xspace_bool + \bool_if:NT \l__chemmacros_xspace_bool { \xspace } } @@ -610,9 +610,9 @@ \cs_new_nopar:Npn \chemmacros_plus: { \bool_if:nTF - { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool } + { \l__chemmacros_circled_bool && !\l__chemmacros_circled_formal_bool } { - \bool_if:NTF \l_chemmacros_circled_chem_bool + \bool_if:NTF \l__chemmacros_circled_chem_bool { \chemmacros_fplus: } { \oplus } } @@ -622,9 +622,9 @@ \cs_new_nopar:Npn \chemmacros_minus: { \bool_if:nTF - { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool } + { \l__chemmacros_circled_bool && !\l__chemmacros_circled_formal_bool } { - \bool_if:NTF \l_chemmacros_circled_chem_bool + \bool_if:NTF \l__chemmacros_circled_chem_bool { \chemmacros_fminus: } { \ominus } } @@ -633,13 +633,13 @@ \cs_new_nopar:Npn \chemmacros_formal_plus: { - \bool_set_false:N \l_chemmacros_circled_formal_bool + \bool_set_false:N \l__chemmacros_circled_formal_bool \chemmacros_plus: } \cs_new_nopar:Npn \chemmacros_formal_minus: { - \bool_set_false:N \l_chemmacros_circled_formal_bool + \bool_set_false:N \l__chemmacros_circled_formal_bool \chemmacros_minus: } @@ -684,18 +684,18 @@ % add a possibility to let chemformula use the chemformula % with method=chemformula, too -\tl_new:N \l_chemmacros_chemformula_tl +\tl_new:N \l__chemmacros_chemformula_tl \cs_new:Npn \chemmacros_chemformula:n #1 { - \bool_if:NTF \l_chemmacros_use_mhchem_bool + \bool_if:NTF \l__chemmacros_use_mhchem_bool { \ce { #1 } } { \group_begin: \cs_set_eq:NN \chemformula_font_inner: \chemmacros_inner_font: - \chemformula_input_cmpd:nN { #1 } \l_chemmacros_chemformula_tl + \chemformula_input_cmpd:nN { #1 } \l__chemmacros_chemformula_tl \mode_if_math:TF - { \text { \l_chemmacros_chemformula_tl } } - { { \l_chemmacros_chemformula_tl } } + { \text { \l__chemmacros_chemformula_tl } } + { { \l__chemmacros_chemformula_tl } } \group_end: } } @@ -703,11 +703,11 @@ % --------------------------------------------------------------------------- % % particles, charges -\bool_new:N \l_chemmacros_charge_append_bool -\bool_set_false:N \l_chemmacros_charge_append_bool +\bool_new:N \l__chemmacros_charge_append_bool +\bool_set_false:N \l__chemmacros_charge_append_bool % \DeclareChemParticle, \RenewChemParticle -\bool_if:NTF \l_chemmacros_use_mhchem_bool +\bool_if:NTF \l__chemmacros_use_mhchem_bool { \NewDocumentCommand \DeclareChemParticle { mm } { @@ -747,29 +747,29 @@ { \cs_set_nopar:Npn #1 { - \bool_if:NTF \l_chemformula_inside_ch_bool + \bool_if:NTF \l__chemformula_inside_ch_bool { - \chemformula_input_cmpd:nN { #2 } \l_chemmacros_chemformula_tl - \tl_set_rescan:Nno \l_chemmacros_chemformula_tl + \chemformula_input_cmpd:nN { #2 } \l__chemmacros_chemformula_tl + \tl_set_rescan:Nno \l__chemmacros_chemformula_tl { \ExplSyntaxOn } - { \l_chemmacros_chemformula_tl } - \tl_use:N \l_chemmacros_chemformula_tl - \tl_clear:N \l_chemmacros_chemformula_tl + { \l__chemmacros_chemformula_tl } + \tl_use:N \l__chemmacros_chemformula_tl + \tl_clear:N \l__chemmacros_chemformula_tl } { \group_begin: \chemformula_input:n { #2 } - \tl_set_rescan:Nno \l_chemmacros_tmpa_tl + \tl_set_rescan:Nno \l__chemmacros_tmpa_tl { \ExplSyntaxOn } - { \l_chemformula_input_tl } - \chemformula_write:V \l_chemmacros_tmpa_tl + { \l__chemformula_input_tl } + \chemformula_write:V \l__chemmacros_tmpa_tl \group_end: \chemmacros_xspace: } } } -\bool_if:NTF \l_chemmacros_use_mhchem_bool +\bool_if:NTF \l__chemmacros_use_mhchem_bool { \cs_new_nopar:Npn \el { \chemmacros_atom:n { e } \mch \chemmacros_xspace: } \cs_new_nopar:Npn \prt { \chemmacros_atom:n { p } \pch \chemmacros_xspace: } @@ -783,14 +783,14 @@ \cs_new_nopar:Npn \chemmacros_bm:n #1 { - \bool_if:NTF \l_chemmacros_detect_bold_bool + \bool_if:NTF \l__chemmacros_detect_bold_bool { \bm { #1 } } { #1 } } \cs_new_nopar:Npn \chemmacros_bf:n #1 { - \bool_if:NTF \l_chemmacros_detect_bold_bool + \bool_if:NTF \l__chemmacros_detect_bold_bool { { \normalfont \bfseries #1 } } { { \normalfont #1 } } } @@ -816,7 +816,7 @@ % charges \cs_new_nopar:Npn \chemmacros_charge:n #1 { - \bool_if:NTF \l_chemmacros_charge_append_bool + \bool_if:NTF \l__chemmacros_charge_append_bool { \mode_if_math:TF { {}^ { \chemmacros_detect_bold:n { #1 } } } @@ -831,7 +831,7 @@ \keys_define:nn { chemmacros / charges } { - append .bool_set:N = \l_chemmacros_charge_append_bool , + append .bool_set:N = \l__chemmacros_charge_append_bool , append .default:n = true } @@ -887,7 +887,7 @@ % --------------------------------------------------------------------------- % % ions, molecules % proton, hydroxide, hydronium/oxonium, water, nucleophile, electrophile -\bool_if:NTF \l_chemmacros_use_mhchem_bool +\bool_if:NTF \l__chemmacros_use_mhchem_bool { \cs_new_nopar:Npn \Hpl { \chemmacros_atom:n { H } \pch \chemmacros_xspace: } \cs_new_nopar:Npn \Hyd @@ -908,10 +908,10 @@ \NewDocumentCommand \chemmacros_Nu:w { o } { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } } - \bool_if:NTF \l_chemmacros_particle_elpair_bool + \bool_if:NTF \l__chemmacros_particle_elpair_bool { \chemmacros_elpair:n { Nu } \mch } { - \bool_if:NTF \l_chemmacros_use_mhchem_bool + \bool_if:NTF \l__chemmacros_use_mhchem_bool { \chemmacros_atom:n { Nu } \mch } { \chemmacros_chemformula:n { Nu- } } } @@ -920,7 +920,7 @@ \AtBeginDocument { - \bool_if:NTF \l_chemmacros_Nu_mathspec_bool + \bool_if:NTF \l__chemmacros_Nu_mathspec_bool { \cs_set_eq:NN \Nuc \chemmacros_Nu:w } { \cs_set_eq:NN \Nu \chemmacros_Nu:w } } @@ -928,10 +928,10 @@ \NewDocumentCommand \ba { o } { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } } - \bool_if:NTF \l_chemmacros_particle_elpair_bool + \bool_if:NTF \l__chemmacros_particle_elpair_bool { \chemmacros_elpair:n { ba } \mch } { - \bool_if:NTF \l_chemmacros_use_mhchem_bool + \bool_if:NTF \l__chemmacros_use_mhchem_bool { \chemmacros_atom:n { ba } \mch } { \chemmacros_chemformula:n { ba- } } } @@ -940,9 +940,9 @@ \cs_new_nopar:Npn \chemmacros_elpair:n #1 { - \bool_if:NTF \l_chemmacros_chemfig_bool + \bool_if:NTF \l__chemmacros_chemfig_bool { - \bool_if:NTF \l_chemmacros_elpair_dots_bool + \bool_if:NTF \l__chemmacros_elpair_dots_bool { { \chemmacros_inner_font: #1 \Lewis { 0: , { \vphantom { #1 } } } } } @@ -954,70 +954,70 @@ } } -\bool_new:N \l_chemmacros_particle_elpair_bool -\bool_new:N \l_chemmacros_elpair_dots_bool +\bool_new:N \l__chemmacros_particle_elpair_bool +\bool_new:N \l__chemmacros_elpair_dots_bool \keys_define:nn { chemmacros / particle } { elpair .choice: , elpair / false .code:n = - { \bool_set_false:N \l_chemmacros_particle_elpair_bool } , + { \bool_set_false:N \l__chemmacros_particle_elpair_bool } , elpair / dots .code:n = { - \bool_set_true:N \l_chemmacros_particle_elpair_bool - \bool_set_true:N \l_chemmacros_elpair_dots_bool + \bool_set_true:N \l__chemmacros_particle_elpair_bool + \bool_set_true:N \l__chemmacros_elpair_dots_bool } , elpair / dash .code:n = { - \bool_set_true:N \l_chemmacros_particle_elpair_bool - \bool_set_false:N \l_chemmacros_elpair_dots_bool + \bool_set_true:N \l__chemmacros_particle_elpair_bool + \bool_set_false:N \l__chemmacros_elpair_dots_bool } , elpair .default:n = dots } %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % IUPAC -\prop_new:N \l_chemmacros_iupac_prop +\prop_new:N \l__chemmacros_iupac_prop \NewDocumentCommand \DeclareChemIUPAC { mm } { - \tl_set_rescan:Nnn \l_chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } - \tl_set:Nf \l_chemmacros_tmpa_tl { \tl_tail:V \l_chemmacros_tmpa_tl } - \prop_if_in:NoTF \l_chemmacros_iupac_prop { \l_chemmacros_tmpa_tl } + \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } + \tl_set:Nf \l__chemmacros_tmpa_tl { \tl_tail:V \l__chemmacros_tmpa_tl } + \prop_if_in:NoTF \l__chemmacros_iupac_prop { \l__chemmacros_tmpa_tl } { \chemmacros_msg:nnxx { chemmacros } { declare-iupac } { #1 } { } } - { \prop_put:Non \l_chemmacros_iupac_prop { \l_chemmacros_tmpa_tl } { #2 } } + { \prop_put:Non \l__chemmacros_iupac_prop { \l__chemmacros_tmpa_tl } { #2 } } \chemmacros_make_iupac: } \NewDocumentCommand \RenewChemIUPAC { mm } { - \tl_set_rescan:Nnn \l_chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } - \tl_set:Nf \l_chemmacros_tmpa_tl { \tl_tail:V \l_chemmacros_tmpa_tl } - \prop_if_in:NoTF \l_chemmacros_iupac_prop { \l_chemmacros_tmpa_tl } - { \prop_put:Non \l_chemmacros_iupac_prop { \l_chemmacros_tmpa_tl } { #2 } } + \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } + \tl_set:Nf \l__chemmacros_tmpa_tl { \tl_tail:V \l__chemmacros_tmpa_tl } + \prop_if_in:NoTF \l__chemmacros_iupac_prop { \l__chemmacros_tmpa_tl } + { \prop_put:Non \l__chemmacros_iupac_prop { \l__chemmacros_tmpa_tl } { #2 } } { \chemmacros_msg:nnxx { chemmacros } { renew-iupac } { #1 } { } } \chemmacros_make_iupac: } \cs_new_nopar:Npn \chemmacros_make_iupac: { - \bool_if:NT \l_chemmacros_in_document_bool + \bool_if:NT \l__chemmacros_in_document_bool { - \bool_if:NTF \l_chemmacros_inside_iupac_bool + \bool_if:NTF \l__chemmacros_inside_iupac_bool { - \prop_map_inline:Nn \l_chemmacros_iupac_prop + \prop_map_inline:Nn \l__chemmacros_iupac_prop { \cs_set_protected_nopar:cpn { ##1 } { ##2 } } } { - \bool_if:NF \l_chemmacros_iupac_restricted_bool + \bool_if:NF \l__chemmacros_iupac_restricted_bool { - \bool_if:NTF \l_chemmacros_iupac_strict_bool + \bool_if:NTF \l__chemmacros_iupac_strict_bool { - \prop_map_inline:Nn \l_chemmacros_iupac_prop + \prop_map_inline:Nn \l__chemmacros_iupac_prop { \cs_set_protected_nopar:cpn { ##1 } { ##2 } } } { - \prop_map_inline:Nn \l_chemmacros_iupac_prop + \prop_map_inline:Nn \l__chemmacros_iupac_prop { \cs_if_exist:cF { ##1 } { \cs_set_protected_nopar:cpn { ##1 } { ##2 } } @@ -1032,17 +1032,17 @@ % 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 { .05ex } +\dim_new:N \l__chemmacros_cip_kern_dim +\dim_set:Nn \l__chemmacros_cip_kern_dim { .05ex } \keys_define:nn { chemmacros / iupac } - { cip-kern .dim_set:N = \l_chemmacros_cip_kern_dim } + { cip-kern .dim_set:N = \l__chemmacros_cip_kern_dim } \NewDocumentCommand \cip { m } { \cs_if_exist:NTF \EmbracOff { \textit* { (#1) } } { \textit { (#1) } } - \tex_kern:D \l_chemmacros_cip_kern_dim + \tex_kern:D \l__chemmacros_cip_kern_dim } \cs_new_protected_nopar:Npn \Rcip @@ -1116,15 +1116,15 @@ \DeclareChemIUPAC \anti { \textit { anti } } % coordination chemistry -\bool_new:N \l_chemmacros_bridge_super_bool +\bool_new:N \l__chemmacros_bridge_super_bool \keys_define:nn { chemmacros / iupac } { bridge-number .choice: , bridge-number / sub .code:n = - \bool_set_false:N \l_chemmacros_bridge_super_bool , + \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 , + \bool_set_true:N \l__chemmacros_bridge_super_bool , + coord-use-hyphen .bool_set:N = \l__chemmacros_coord_use_hyphen_bool , coord-use-hyphen .default:n = true } @@ -1135,7 +1135,7 @@ { \Chemmu \tl_if_blank:nF { #1 } { - \bool_if:NTF \l_chemmacros_bridge_super_bool + \bool_if:NTF \l__chemmacros_bridge_super_bool { \chemformula_superscript:n { #1 } } { \chemformula_subscript:n { #1 } } } @@ -1155,7 +1155,7 @@ % language specific settings \AtBeginDocument { - \bool_if:NT \l_chemmacros_italian_bool + \bool_if:NT \l__chemmacros_italian_bool { \DeclareChemIUPAC \sin { \textit { sin } } \DeclareChemIUPAC \ter { \textit { ter } } @@ -1182,18 +1182,18 @@ \cs_new_protected:Nn \chemmacros_allow_hyphens: { \tex_penalty:D \c_ten_thousand \skip_horizontal:n { \c_zero_dim } } -\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 } +\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 } \keys_define:nn { chemmacros / iupac } { - 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 .dim_set:N = \l_chemmacros_iupac_break_dim + 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 .dim_set:N = \l__chemmacros_iupac_break_dim } \cs_new_protected:Nn \chemmacros_break_point_hyphen: @@ -1201,9 +1201,9 @@ \tex_penalty:D \c_ten_thousand \tex_discretionary:D { - } { } { - \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 + \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim } \chemmacros_allow_hyphens: } @@ -1212,16 +1212,16 @@ { \tex_penalty:D \c_ten_thousand \tex_discretionary:D { - } { } - { \tex_kern:D \l_chemmacros_iupac_break_dim } + { \tex_kern:D \l__chemmacros_iupac_break_dim } \chemmacros_allow_hyphens: } -\bool_new:N \l_chemmacros_inside_iupac_bool +\bool_new:N \l__chemmacros_inside_iupac_bool \cs_new_protected:Nn \chemmacros_iupac:n { \group_begin: - \bool_set_true:N \l_chemmacros_inside_iupac_bool + \bool_set_true:N \l__chemmacros_inside_iupac_bool \chemmacros_make_iupac: \chemmacros_ignore_spaces: \cs_set_eq:NN \- \chemmacros_break_point_hyphen: @@ -1240,36 +1240,36 @@ \cs_set_eq:NN \iupac \chemmacros_iupac:n % latin phrases -\tl_new:N \l_chemmacros_latin_format_tl -\tl_set:Nn \l_chemmacros_latin_format_tl { \itshape } +\tl_new:N \l__chemmacros_latin_format_tl +\tl_set:Nn \l__chemmacros_latin_format_tl { \itshape } \keys_define:nn { chemmacros / latin } - { format . tl_set:N = \l_chemmacros_latin_format_tl } + { format . tl_set:N = \l__chemmacros_latin_format_tl } \cs_new:Npn \chemmacros_latin:n #1 - { { \l_chemmacros_latin_format_tl #1 } } + { { \l__chemmacros_latin_format_tl #1 } } -\prop_new:N \l_chemmacros_latin_prop +\prop_new:N \l__chemmacros_latin_prop \NewDocumentCommand \DeclareChemLatin { mm } { \cs_if_free:NTF #1 { \cs_new:Npn #1 { \chemmacros_latin:n { #2 } \chemmacros_xspace: } - \prop_put:Nnn \l_chemmacros_latin_prop { #1 } { #2 } + \prop_put:Nnn \l__chemmacros_latin_prop { #1 } { #2 } } { \chemmacros_msg:nnxx { chemmacros } { declare-latin } { #1 } { } } } \NewDocumentCommand \RenewChemLatin { mm } { - \prop_if_in:NnTF \l_chemmacros_latin_prop { #1 } + \prop_if_in:NnTF \l__chemmacros_latin_prop { #1 } { \cs_set:Npn #1 { \chemmacros_latin:n { #2 } \chemmacros_xspace: } } { \chemmacros_msg:nnxx { chemmacros } { renew-latin } { #1 } { } } } \AtBeginDocument { - \bool_if:NTF \l_chemmacros_chemstyle_bool + \bool_if:NTF \l__chemmacros_chemstyle_bool { \AfterPackage* { chemstyle } { @@ -1299,7 +1299,7 @@ \cs_new_nopar:Npn \chemmacros_if_bold:TF #1#2 { - \ifx\f@series\l_chemmacros_if_bf_tl + \ifx\f@series\l__chemmacros_if_bf_tl \expandafter\@firstoftwo \else \expandafter\@secondoftwo @@ -1307,8 +1307,8 @@ { #1 }{ #2 } } -\tl_new:N \l_chemmacros_if_bf_tl -\tl_set:Nn \l_chemmacros_if_bf_tl { bx } +\tl_new:N \l__chemmacros_if_bf_tl +\tl_set:Nn \l__chemmacros_if_bf_tl { bx } \cs_new_protected_nopar:Npn \Ka { @@ -1318,7 +1318,7 @@ \chemmacros_detect_bold:n { K \c_math_subscript_token \mathrm - { \bool_if:NTF \l_chemmacros_german_bool { S } { A } } + { \bool_if:NTF \l__chemmacros_german_bool { S } { A } } } \) } @@ -1391,7 +1391,7 @@ \DeclareSIUnit { \cal } { cal } \AtBeginDocument { - \bool_if:NF \l_chemmacros_chemstyle_bool + \bool_if:NF \l__chemmacros_chemstyle_bool { \DeclareSIUnit { \cmc } { \cubic\centi\metre } \DeclareSIUnit { \molar } { \mole\per\cubic\deci\metre } @@ -1408,15 +1408,15 @@ % \mech[<type>] % <type> - substitutions: {}, 1, 2, se, 1e, 2e, ar % - eliminations: e, e1, e2, cb -\tl_new:N \l_chemmacros_mech_type_tl -\tl_new:N \l_chemmacros_mech_mol_tl -\tl_new:N \l_chemmacros_mech_ar_tl +\tl_new:N \l__chemmacros_mech_type_tl +\tl_new:N \l__chemmacros_mech_mol_tl +\tl_new:N \l__chemmacros_mech_ar_tl \cs_new_nopar:Npn \chemmacros_set_mech:nnn #1#2#3 { - \tl_set:Nn \l_chemmacros_mech_type_tl { #1 } - \tl_set:Nn \l_chemmacros_mech_mol_tl { #2 } - \tl_set:Nn \l_chemmacros_mech_ar_tl { #3 } + \tl_set:Nn \l__chemmacros_mech_type_tl { #1 } + \tl_set:Nn \l__chemmacros_mech_mol_tl { #2 } + \tl_set:Nn \l__chemmacros_mech_ar_tl { #3 } } \keys_define:nn { chemmacros / mech } @@ -1478,9 +1478,9 @@ { \keys_set:nn { chemmacros / mech } { type = #1 } } \mbox { - \tl_use:N \l_chemmacros_mech_ar_tl - \tl_use:N \l_chemmacros_mech_type_tl - \tl_use:N \l_chemmacros_mech_mol_tl + \tl_use:N \l__chemmacros_mech_ar_tl + \tl_use:N \l__chemmacros_mech_type_tl + \tl_use:N \l__chemmacros_mech_mol_tl } \chemmacros_xspace: } @@ -1488,33 +1488,33 @@ % --------------------------------------------------------------------------- % % oxidation numbers % \ox{<number>,<atom>} -\bool_new:N \l_chemmacros_ox_sign_bool -\bool_new:N \l_chemmacros_ox_integer_bool +\bool_new:N \l__chemmacros_ox_sign_bool +\bool_new:N \l__chemmacros_ox_integer_bool -\bool_new:N \l_chemmacros_ox_explicit_sign_bool -\bool_set_false:N \l_chemmacros_ox_explicit_sign_bool +\bool_new:N \l__chemmacros_ox_explicit_sign_bool +\bool_set_false:N \l__chemmacros_ox_explicit_sign_bool -\bool_new:N \l_chemmacros_ox_format_roman_bool -\bool_set_true:N \l_chemmacros_ox_format_roman_bool +\bool_new:N \l__chemmacros_ox_format_roman_bool +\bool_set_true:N \l__chemmacros_ox_format_roman_bool -\bool_new:N \l_chemmacros_ox_decimal_marker_comma_bool -\bool_set_false:N \l_chemmacros_ox_decimal_marker_comma_bool +\bool_new:N \l__chemmacros_ox_decimal_marker_comma_bool +\bool_set_false:N \l__chemmacros_ox_decimal_marker_comma_bool -\bool_new:N \l_chemmacros_ox_parse_bool -\bool_set_true:N \l_chemmacros_ox_parse_bool +\bool_new:N \l__chemmacros_ox_parse_bool +\bool_set_true:N \l__chemmacros_ox_parse_bool -\int_new:N \l_chemmacros_ox_number_int -\fp_new:N \l_chemmacros_ox_number_fp +\int_new:N \l__chemmacros_ox_number_int +\fp_new:N \l__chemmacros_ox_number_fp -\bool_new:N \l_chemmacros_ox_side_bool -\bool_new:N \l_chemmacros_ox_super_bool -\bool_new:N \l_chemmacros_ox_top_bool -\bool_set_true:N \l_chemmacros_ox_top_bool -\bool_new:N \l_chemmacros_ox_align_center_bool +\bool_new:N \l__chemmacros_ox_side_bool +\bool_new:N \l__chemmacros_ox_super_bool +\bool_new:N \l__chemmacros_ox_top_bool +\bool_set_true:N \l__chemmacros_ox_top_bool +\bool_new:N \l__chemmacros_ox_align_center_bool \cs_new_nopar:Npn \chemmacros_ox_process_number:n #1 { - \bool_if:NTF \l_chemmacros_ox_parse_bool + \bool_if:NTF \l__chemmacros_ox_parse_bool { \tl_if_in:nnTF { #1 } { / } { \chemmacros_ox_fraction:n #1 } @@ -1538,9 +1538,9 @@ \cs_new_nopar:Npn \chemmacros_ox_fraction:n #1/#2 { - \bool_set_false:N \l_chemmacros_ox_format_roman_bool + \bool_set_false:N \l__chemmacros_ox_format_roman_bool \chemmacros_ox_sign:n { #1 } - \bool_if:NTF \l_chemmacros_ox_side_bool + \bool_if:NTF \l__chemmacros_ox_side_bool { \sfrac { \chemmacros_ox_value:n { #1 } } { #2 } } { \sfrac [ chemmacros-ox-frac ] { \chemmacros_ox_value:n { #1 } } { #2 } } } @@ -1548,40 +1548,40 @@ \cs_new_nopar:Npn \chemmacros_ox_sign:n #1 { \fp_compare:nNnT { #1 } > { 0 } - { \bool_if:NT \l_chemmacros_ox_explicit_sign_bool { $+$ } } + { \bool_if:NT \l__chemmacros_ox_explicit_sign_bool { $+$ } } \fp_compare:nNnT { #1 } = { 0 } - { \bool_if:NT \l_chemmacros_ox_explicit_sign_bool { $\pm$ } } + { \bool_if:NT \l__chemmacros_ox_explicit_sign_bool { $\pm$ } } \fp_compare:nNnT { #1 } < { 0 } { $-$ } } \cs_new_nopar:Npn \chemmacros_ox_value:n #1 { - \fp_set:Nn \l_chemmacros_ox_number_fp { #1 } - \fp_abs:N \l_chemmacros_ox_number_fp - \chemmacros_ox_is_integer:N \l_chemmacros_ox_number_fp - \bool_if:NTF \l_chemmacros_ox_format_roman_bool + \fp_set:Nn \l__chemmacros_ox_number_fp { #1 } + \fp_abs:N \l__chemmacros_ox_number_fp + \chemmacros_ox_is_integer:N \l__chemmacros_ox_number_fp + \bool_if:NTF \l__chemmacros_ox_format_roman_bool { - \chemmacros_fp_to_Roman:N \l_chemmacros_ox_number_fp + \chemmacros_fp_to_Roman:N \l__chemmacros_ox_number_fp } { - \bool_if:NTF \l_chemmacros_ox_integer_bool - { \chemmacros_fp_to_arabic:N \l_chemmacros_ox_number_fp } - { \chemmacros_fp_show:N \l_chemmacros_ox_number_fp } + \bool_if:NTF \l__chemmacros_ox_integer_bool + { \chemmacros_fp_to_arabic:N \l__chemmacros_ox_number_fp } + { \chemmacros_fp_show:N \l__chemmacros_ox_number_fp } } } \cs_new_nopar:Npn \chemmacros_ox_is_integer:n #1 { - \fp_set:Nn \l_chemmacros_tmpa_tl { #1 } - \fp_add:Nn \l_chemmacros_tmpa_tl { 1 } - \fp_round_places:Nn \l_chemmacros_tmpa_tl { 0 } - \fp_sub:Nn \l_chemmacros_tmpa_tl { 1 } - \fp_compare:nNnTF { \l_chemmacros_tmpa_tl } = { #1 } - { \bool_set_true:N \l_chemmacros_ox_integer_bool } + \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } + \fp_add:Nn \l__chemmacros_tmpa_tl { 1 } + \fp_round_places:Nn \l__chemmacros_tmpa_tl { 0 } + \fp_sub:Nn \l__chemmacros_tmpa_tl { 1 } + \fp_compare:nNnTF { \l__chemmacros_tmpa_tl } = { #1 } + { \bool_set_true:N \l__chemmacros_ox_integer_bool } { - \bool_set_false:N \l_chemmacros_ox_integer_bool - \bool_set_false:N \l_chemmacros_ox_format_roman_bool + \bool_set_false:N \l__chemmacros_ox_integer_bool + \bool_set_false:N \l__chemmacros_ox_format_roman_bool } } \cs_generate_variant:Nn \chemmacros_ox_is_integer:n { N } @@ -1589,12 +1589,12 @@ \cs_new_nopar:Npn \chemmacros_fp_to_Roman:n #1 { \group_begin: - \fp_set:Nn \l_chemmacros_tmpa_tl { #1 } - \fp_round_places:Nn \l_chemmacros_tmpa_tl { 0 } - \int_set:Nn \l_chemmacros_tmpa_int { \fp_to_tl:N \l_chemmacros_tmpa_tl } - \int_compare:nTF { \l_chemmacros_tmpa_int = 0 } + \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } + \fp_round_places:Nn \l__chemmacros_tmpa_tl { 0 } + \int_set:Nn \l__chemmacros_tmpa_int { \fp_to_tl:N \l__chemmacros_tmpa_tl } + \int_compare:nTF { \l__chemmacros_tmpa_int = 0 } { 0 } - { \int_to_Roman:n { \int_use:N \l_chemmacros_tmpa_int } } + { \int_to_Roman:n { \int_use:N \l__chemmacros_tmpa_int } } \group_end: } \cs_generate_variant:Nn \chemmacros_fp_to_Roman:n { N } @@ -1602,8 +1602,8 @@ \cs_new_nopar:Npn \chemmacros_fp_to_arabic:n #1 { \group_begin: - \fp_set:Nn \l_chemmacros_tmpa_tl { #1 } - \fp_to_tl:N \l_chemmacros_tmpa_tl + \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } + \fp_to_tl:N \l__chemmacros_tmpa_tl \group_end: } \cs_generate_variant:Nn \chemmacros_fp_to_arabic:n { N } @@ -1611,14 +1611,14 @@ \cs_new_nopar:Npn \chemmacros_fp_show:n #1 { \group_begin: - \fp_set:Nn \l_chemmacros_tmpa_tl { #1 } - \bool_if:NTF \l_chemmacros_ox_decimal_marker_comma_bool + \fp_set:Nn \l__chemmacros_tmpa_tl { #1 } + \bool_if:NTF \l__chemmacros_ox_decimal_marker_comma_bool { - \tl_set:Nx \l_chemmacros_tmpb_tl { \fp_to_tl:N \l_chemmacros_tmpa_tl } - \tl_replace_once:Nnn \l_chemmacros_tmpb_tl { . } { {,} } - \tl_use:N \l_chemmacros_tmpb_tl + \tl_set:Nx \l__chemmacros_tmpb_tl { \fp_to_tl:N \l__chemmacros_tmpa_tl } + \tl_replace_once:Nnn \l__chemmacros_tmpb_tl { . } { {,} } + \tl_use:N \l__chemmacros_tmpb_tl } - { \fp_to_tl:N \l_chemmacros_tmpa_tl } + { \fp_to_tl:N \l__chemmacros_tmpa_tl } \group_end: } \cs_generate_variant:Nn \chemmacros_fp_show:n { N } @@ -1635,7 +1635,7 @@ } \ensuremath { - \bool_if:NT \l_chemmacros_ox_super_bool + \bool_if:NT \l__chemmacros_ox_super_bool { \chemmacros_text:n { @@ -1643,16 +1643,16 @@ $ ^ { \text { \tiny \chemmacros_ox_process_number:n { #1 } } } $ } } - \bool_if:NT \l_chemmacros_ox_side_bool + \bool_if:NT \l__chemmacros_ox_side_bool { \chemmacros_text:n { #2 ( \text { \chemmacros_ox_process_number:n { #1 } } ) } } - \bool_if:NT \l_chemmacros_ox_top_bool + \bool_if:NT \l__chemmacros_ox_top_bool { \overset { - \bool_if:NTF \l_chemmacros_ox_align_center_bool + \bool_if:NTF \l__chemmacros_ox_align_center_bool { \clap } { \rlap } { \chemmacros_text:n @@ -1666,23 +1666,23 @@ \cs_new_nopar:Npn \chemmacros_ox_pos_top: { - \bool_set_true:N \l_chemmacros_ox_top_bool - \bool_set_false:N \l_chemmacros_ox_super_bool - \bool_set_false:N \l_chemmacros_ox_side_bool + \bool_set_true:N \l__chemmacros_ox_top_bool + \bool_set_false:N \l__chemmacros_ox_super_bool + \bool_set_false:N \l__chemmacros_ox_side_bool } \cs_new_nopar:Npn \chemmacros_ox_pos_super: { - \bool_set_false:N \l_chemmacros_ox_top_bool - \bool_set_true:N \l_chemmacros_ox_super_bool - \bool_set_false:N \l_chemmacros_ox_side_bool + \bool_set_false:N \l__chemmacros_ox_top_bool + \bool_set_true:N \l__chemmacros_ox_super_bool + \bool_set_false:N \l__chemmacros_ox_side_bool } \cs_new_nopar:Npn \chemmacros_ox_pos_side: { - \bool_set_false:N \l_chemmacros_ox_top_bool - \bool_set_false:N \l_chemmacros_ox_super_bool - \bool_set_true:N \l_chemmacros_ox_side_bool + \bool_set_false:N \l__chemmacros_ox_top_bool + \bool_set_false:N \l__chemmacros_ox_super_bool + \bool_set_true:N \l__chemmacros_ox_side_bool } \keys_define:nn { chemmacros / ox } @@ -1691,20 +1691,20 @@ pos / top .code:n = \chemmacros_ox_pos_top: , pos / super .code:n = \chemmacros_ox_pos_super: , pos / side .code:n = \chemmacros_ox_pos_side: , - roman .bool_set:N = \l_chemmacros_ox_format_roman_bool , + roman .bool_set:N = \l__chemmacros_ox_format_roman_bool , roman .default:n = true , - parse .bool_set:N = \l_chemmacros_ox_parse_bool , + parse .bool_set:N = \l__chemmacros_ox_parse_bool , parse .default:n = true , - explicit-sign .bool_set:N = \l_chemmacros_ox_explicit_sign_bool , + explicit-sign .bool_set:N = \l__chemmacros_ox_explicit_sign_bool , explicit-sign .default:n = true , decimal-marker .choice: , decimal-marker / comma .code:n = - { \bool_set_true:N \l_chemmacros_ox_decimal_marker_comma_bool } , + { \bool_set_true:N \l__chemmacros_ox_decimal_marker_comma_bool } , decimal-marker / point .code:n = - { \bool_set_false:N \l_chemmacros_ox_decimal_marker_comma_bool } , + { \bool_set_false:N \l__chemmacros_ox_decimal_marker_comma_bool } , align .choice: , - align / center .code:n = \bool_set_true:N \l_chemmacros_ox_align_center_bool , - align / right .code:n = \bool_set_false:N \l_chemmacros_ox_align_center_bool + align / center .code:n = \bool_set_true:N \l__chemmacros_ox_align_center_bool , + align / right .code:n = \bool_set_false:N \l__chemmacros_ox_align_center_bool } % \ox[<keyval>]{<num>,<atom>} @@ -1713,7 +1713,7 @@ { \group_begin: \IfBooleanT { #1 } { \chemmacros_ox_pos_super: } - \bool_if:NTF \l_chemmacros_version_one_bool + \bool_if:NTF \l__chemmacros_version_one_bool { \keys_set:nn { chemmacros / ox } { parse = false } } { \IfNoValueF { #2 } { \keys_set:nn { chemmacros / ox } { #2 } } } \chemmacros_ox:nn #3 @@ -1722,24 +1722,24 @@ % --------------------------------------------------------------------------- % % - oxidation arrows -\tl_new:N \l_chemmacros_redox_begin_tl -\tl_new:N \l_chemmacros_redox_end_tl +\tl_new:N \l__chemmacros_redox_begin_tl +\tl_new:N \l__chemmacros_redox_end_tl -\tl_new:N \l_chemmacros_redox_tikz_tl +\tl_new:N \l__chemmacros_redox_tikz_tl -\fp_new:N \l_chemmacros_redox_shift_fp -\tl_new:N \l_chemmacros_redox_shift_tl +\fp_new:N \l__chemmacros_redox_shift_fp +\tl_new:N \l__chemmacros_redox_shift_tl -\tl_new:N \l_chemmacros_redox_anchor_tl +\tl_new:N \l__chemmacros_redox_anchor_tl -\tl_new:N \l_chemmacros_redox_side_tl +\tl_new:N \l__chemmacros_redox_side_tl -\dim_new:N \l_chemmacros_redox_sep_dim -\dim_new:N \l_chemmacros_redox_sep_default_dim -\dim_set:Nn \l_chemmacros_redox_sep_default_dim { .2em } +\dim_new:N \l__chemmacros_redox_sep_dim +\dim_new:N \l__chemmacros_redox_sep_default_dim +\dim_set:Nn \l__chemmacros_redox_sep_default_dim { .2em } -\dim_new:N \l_chemmacros_redox_dist_dim -\dim_set:Nn \l_chemmacros_redox_dist_dim {.6em} +\dim_new:N \l__chemmacros_redox_dist_dim +\dim_set:Nn \l__chemmacros_redox_dist_dim {.6em} % place and name nodes: % \OX{<name>,<atom>} @@ -1764,8 +1764,8 @@ \cs_new_nopar:Npn \chemmacros_redox_coordinates:nn #1#2 { - \tl_set:Nn \l_chemmacros_redox_begin_tl { #1 } - \tl_set:Nn \l_chemmacros_redox_end_tl { #2 } + \tl_set:Nn \l__chemmacros_redox_begin_tl { #1 } + \tl_set:Nn \l__chemmacros_redox_end_tl { #2 } } \NewDocumentCommand \redox { > { \SplitArgument { 1 } { , } } r() o o G{} } @@ -1775,53 +1775,53 @@ \msg_error:nnx { chemmacros } { redox } { You~need~to~specify~coordinates } } - \tl_clear:N \l_chemmacros_redox_begin_tl - \tl_clear:N \l_chemmacros_redox_end_tl - \tl_clear:N \l_chemmacros_redox_tikz_tl + \tl_clear:N \l__chemmacros_redox_begin_tl + \tl_clear:N \l__chemmacros_redox_end_tl + \tl_clear:N \l__chemmacros_redox_tikz_tl \chemmacros_redox_coordinates:nn #1 \IfNoValueF { #2 } - { \tl_set:Nn \l_chemmacros_redox_tikz_tl { #2 } } + { \tl_set:Nn \l__chemmacros_redox_tikz_tl { #2 } } \IfNoValueTF { #3 } { - \fp_set:Nn \l_chemmacros_redox_shift_fp { 1 } - \tl_set:Nn \l_chemmacros_redox_anchor_tl { above } - \tl_set:Nn \l_chemmacros_redox_side_tl { north } + \fp_set:Nn \l__chemmacros_redox_shift_fp { 1 } + \tl_set:Nn \l__chemmacros_redox_anchor_tl { above } + \tl_set:Nn \l__chemmacros_redox_side_tl { north } \dim_set_eq:NN - \l_chemmacros_redox_sep_dim - \l_chemmacros_redox_sep_default_dim + \l__chemmacros_redox_sep_dim + \l__chemmacros_redox_sep_default_dim } { \fp_compare:nNnTF { #3 } < { 0 } { - \tl_set:Nn \l_chemmacros_redox_anchor_tl { below } - \tl_set:Nn \l_chemmacros_redox_side_tl { south } - \exp_args:NNo \dim_set:Nn \l_chemmacros_redox_sep_dim - { - \l_chemmacros_redox_sep_default_dim } + \tl_set:Nn \l__chemmacros_redox_anchor_tl { below } + \tl_set:Nn \l__chemmacros_redox_side_tl { south } + \exp_args:NNo \dim_set:Nn \l__chemmacros_redox_sep_dim + { - \l__chemmacros_redox_sep_default_dim } } { - \tl_set:Nn \l_chemmacros_redox_anchor_tl { above } - \tl_set:Nn \l_chemmacros_redox_side_tl { north } + \tl_set:Nn \l__chemmacros_redox_anchor_tl { above } + \tl_set:Nn \l__chemmacros_redox_side_tl { north } \dim_set_eq:NN - \l_chemmacros_redox_sep_dim - \l_chemmacros_redox_sep_default_dim + \l__chemmacros_redox_sep_dim + \l__chemmacros_redox_sep_default_dim } - \fp_set:Nn \l_chemmacros_redox_shift_fp { #3 } + \fp_set:Nn \l__chemmacros_redox_shift_fp { #3 } } - \tl_set:Nn \l_chemmacros_redox_shift_tl - { \fp_to_tl:N \l_chemmacros_redox_shift_fp } + \tl_set:Nn \l__chemmacros_redox_shift_tl + { \fp_to_tl:N \l__chemmacros_redox_shift_fp } \tikz[remember~picture,overlay] { - \chemmacros_tikz_draw:f { \tl_use:N \l_chemmacros_redox_tikz_tl } + \chemmacros_tikz_draw:f { \tl_use:N \l__chemmacros_redox_tikz_tl } ($ - (\l_chemmacros_redox_begin_tl . - \l_chemmacros_redox_side_tl)+(0,\l_chemmacros_redox_sep_dim) + (\l__chemmacros_redox_begin_tl . + \l__chemmacros_redox_side_tl)+(0,\l__chemmacros_redox_sep_dim) $) -- - ++(0,\l_chemmacros_redox_shift_tl * \l_chemmacros_redox_dist_dim) -| - node [pos=.25,\l_chemmacros_redox_anchor_tl] { { #4 } } + ++(0,\l__chemmacros_redox_shift_tl * \l__chemmacros_redox_dist_dim) -| + node [pos=.25,\l__chemmacros_redox_anchor_tl] { { #4 } } ($ - (\l_chemmacros_redox_end_tl . - \l_chemmacros_redox_side_tl)+(0,\l_chemmacros_redox_sep_dim) + (\l__chemmacros_redox_end_tl . + \l__chemmacros_redox_side_tl)+(0,\l__chemmacros_redox_sep_dim) $) ; } } @@ -1829,107 +1829,107 @@ % redox-keys \keys_define:nn { chemmacros / redox } { - dist .dim_set:N = \l_chemmacros_redox_dist_dim , + dist .dim_set:N = \l__chemmacros_redox_dist_dim , dist .default:n = { .6em } , - sep .dim_set:N = \l_chemmacros_redox_sep_default_dim , + sep .dim_set:N = \l__chemmacros_redox_sep_default_dim , sep .default:n = { .2em } } -\bool_if:NT \l_chemmacros_version_one_bool +\bool_if:NT \l__chemmacros_version_one_bool { \NewDocumentCommand \setredoxdist { m } { \tl_if_blank:nTF { #1 } - { \dim_set:Nn \l_chemmacros_redox_dist_dim { .6em } } - { \dim_set:Nn \l_chemmacros_redox_dist_dim { #1 } } + { \dim_set:Nn \l__chemmacros_redox_dist_dim { .6em } } + { \dim_set:Nn \l__chemmacros_redox_dist_dim { #1 } } } } % --------------------------------------------------------------------------- % % spectroscopy -\tl_new:N \g_chemmacros_nmr_isotope_tl -\tl_new:N \l_chemmacros_nmr_isotope_default_tl -\tl_set:Nn \l_chemmacros_nmr_isotope_default_tl { 1 } - -\tl_new:N \l_chemmacros_nmr_coupling_nuclei_tl -\tl_new:N \l_chemmacros_nmr_coupling_bonds_tl -\tl_new:N \g_chemmacros_nmr_element_coupled_tl - -\tl_new:N \g_chemmacros_nmr_element_tl -\tl_new:N \l_chemmacros_nmr_element_default_tl -\tl_set:Nn \l_chemmacros_nmr_element_default_tl { H } -\tl_new:N \l_chemmacros_nmr_format_tl -\tl_new:N \l_chemmacros_nmr_delta_tl -\tl_new:N \l_chemmacros_nmr_coupling_unit_tl -\tl_set:Nn \l_chemmacros_nmr_coupling_unit_tl { \hertz } -\tl_new:N \l_chemmacros_nmr_list_setup_tl -\tl_set:Nn \l_chemmacros_nmr_list_setup_tl +\tl_new:N \g__chemmacros_nmr_isotope_tl +\tl_new:N \l__chemmacros_nmr_isotope_default_tl +\tl_set:Nn \l__chemmacros_nmr_isotope_default_tl { 1 } + +\tl_new:N \l__chemmacros_nmr_coupling_nuclei_tl +\tl_new:N \l__chemmacros_nmr_coupling_bonds_tl +\tl_new:N \g__chemmacros_nmr_element_coupled_tl + +\tl_new:N \g__chemmacros_nmr_element_tl +\tl_new:N \l__chemmacros_nmr_element_default_tl +\tl_set:Nn \l__chemmacros_nmr_element_default_tl { H } +\tl_new:N \l__chemmacros_nmr_format_tl +\tl_new:N \l__chemmacros_nmr_delta_tl +\tl_new:N \l__chemmacros_nmr_coupling_unit_tl +\tl_set:Nn \l__chemmacros_nmr_coupling_unit_tl { \hertz } +\tl_new:N \l__chemmacros_nmr_list_setup_tl +\tl_set:Nn \l__chemmacros_nmr_list_setup_tl { \topsep\z@skip \partopsep\z@skip \itemsep\z@ \parsep\z@ \itemindent\z@ \leftmargin\z@ } -\bool_new:N \l_chemmacros_nmr_frequency_bool -\bool_new:N \l_chemmacros_nmr_solvent_bool -\bool_new:N \l_chemmacros_nmr_delimiters_bool -\bool_new:N \l_chemmacros_nmr_comma_bool -\bool_new:N \l_chemmacros_nmr_inner_bool -\bool_new:N \l_chemmacros_nmr_position_sub_bool -\bool_new:N \l_chemmacros_nmr_parse_bool -\bool_set_true:N \l_chemmacros_nmr_parse_bool -\bool_new:N \l_chemmacros_nmr_list_bool -% \bool_set_true:N \l_chemmacros_nmr_list_bool -\bool_new:N \l_chemmacros_nmr_use_equal_bool -% \bool_set_true:N \l_chemmacros_nmr_use_equal_bool -\bool_new:N \l_chemmacros_nmr_custom_command_active_bool -\bool_new:N \l_chemmacros_nmr_custom_command_used_bool - -\tl_new:N \l_chemmacros_nmr_unit_tl -\tl_set:Nn \l_chemmacros_nmr_unit_tl { \mega\hertz } +\bool_new:N \l__chemmacros_nmr_frequency_bool +\bool_new:N \l__chemmacros_nmr_solvent_bool +\bool_new:N \l__chemmacros_nmr_delimiters_bool +\bool_new:N \l__chemmacros_nmr_comma_bool +\bool_new:N \l__chemmacros_nmr_inner_bool +\bool_new:N \l__chemmacros_nmr_position_sub_bool +\bool_new:N \l__chemmacros_nmr_parse_bool +\bool_set_true:N \l__chemmacros_nmr_parse_bool +\bool_new:N \l__chemmacros_nmr_list_bool +% \bool_set_true:N \l__chemmacros_nmr_list_bool +\bool_new:N \l__chemmacros_nmr_use_equal_bool +% \bool_set_true:N \l__chemmacros_nmr_use_equal_bool +\bool_new:N \l__chemmacros_nmr_custom_command_active_bool +\bool_new:N \l__chemmacros_nmr_custom_command_used_bool + +\tl_new:N \l__chemmacros_nmr_unit_tl +\tl_set:Nn \l__chemmacros_nmr_unit_tl { \mega\hertz } \cs_new_nopar:Npn \chemmacros_nmr_nucleus:w #1,#2 \q_stop { - \tl_gset:Nn \g_chemmacros_nmr_isotope_tl { #1 } + \tl_gset:Nn \g__chemmacros_nmr_isotope_tl { #1 } \tl_if_in:nnTF { #2 } { [ } { \chemmacros_nmr_element:w #2 \q_stop } { - \tl_gset:No \g_chemmacros_nmr_element_tl { #2 } - \tl_gclear:N \g_chemmacros_nmr_element_coupled_tl + \tl_gset:No \g__chemmacros_nmr_element_tl { #2 } + \tl_gclear:N \g__chemmacros_nmr_element_coupled_tl } } \cs_new_nopar:Npn \chemmacros_nmr_element:w #1[#2] \q_stop { - \tl_gset:Nn \g_chemmacros_nmr_element_tl { #1 } - \tl_gset:Nn \g_chemmacros_nmr_element_coupled_tl { #2 } + \tl_gset:Nn \g__chemmacros_nmr_element_tl { #1 } + \tl_gset:Nn \g__chemmacros_nmr_element_coupled_tl { #2 } } \cs_new:Npn \chemmacros_nmr_default_nucleus:w #1,#2 \q_stop { - \tl_set:Nn \l_chemmacros_nmr_isotope_default_tl { #1 } - \tl_set:Nn \l_chemmacros_nmr_element_default_tl { #2 } + \tl_set:Nn \l__chemmacros_nmr_isotope_default_tl { #1 } + \tl_set:Nn \l__chemmacros_nmr_element_default_tl { #2 } } \cs_new_nopar:Npn \chemmacros_nmr_base:nn #1#2 { - \tl_if_blank:VF \g_chemmacros_nmr_element_coupled_tl + \tl_if_blank:VF \g__chemmacros_nmr_element_coupled_tl { - \tl_put_left:Nn \g_chemmacros_nmr_element_coupled_tl { \{ } - \tl_put_right:Nn \g_chemmacros_nmr_element_coupled_tl { \} } + \tl_put_left:Nn \g__chemmacros_nmr_element_coupled_tl { \{ } + \tl_put_right:Nn \g__chemmacros_nmr_element_coupled_tl { \} } } - \tl_put_left:Nn \g_chemmacros_nmr_element_coupled_tl { #2 } - \bool_if:NTF \l_chemmacros_bpchem_bool - { \IUPAC { \^ { #1 } \g_chemmacros_nmr_element_coupled_tl - NMR } } + \tl_put_left:Nn \g__chemmacros_nmr_element_coupled_tl { #2 } + \bool_if:NTF \l__chemmacros_bpchem_bool + { \IUPAC { \^ { #1 } \g__chemmacros_nmr_element_coupled_tl - NMR } } { \iupac { \^ { #1 } } - \bool_if:NTF \l_chemmacros_nmr_parse_bool + \bool_if:NTF \l__chemmacros_nmr_parse_bool { - \bool_if:NTF \l_chemmacros_use_mhchem_bool - { \exp_args:No \ce { \g_chemmacros_nmr_element_coupled_tl } } - { \exp_args:No \ch { \g_chemmacros_nmr_element_coupled_tl } } + \bool_if:NTF \l__chemmacros_use_mhchem_bool + { \exp_args:No \ce { \g__chemmacros_nmr_element_coupled_tl } } + { \exp_args:No \ch { \g__chemmacros_nmr_element_coupled_tl } } } - { \chemmacros_atom:V \g_chemmacros_nmr_element_coupled_tl } + { \chemmacros_atom:V \g__chemmacros_nmr_element_coupled_tl } - NMR } } @@ -1944,40 +1944,40 @@ \cs_new_nopar:Npn \chemmacros_nmr_frequency_aux_i:w #1,#2 \q_stop { \SI { #1 } { #2 } } \cs_new_nopar:Npn \chemmacros_nmr_frequency_aux_ii:n #1 - { \SI { #1 } { \tl_use:N \l_chemmacros_nmr_unit_tl } } + { \SI { #1 } { \tl_use:N \l__chemmacros_nmr_unit_tl } } \keys_define:nn { chemmacros / nmr } { - unit .tl_set:N = \l_chemmacros_nmr_unit_tl , + unit .tl_set:N = \l__chemmacros_nmr_unit_tl , unit .default:n = \mega\hertz , nucleus .code:n = { \chemmacros_nmr_default_nucleus:w #1 \q_stop } , nucleus .default:n = { 1,H } , - format .tl_set:N = \l_chemmacros_nmr_format_tl , + format .tl_set:N = \l__chemmacros_nmr_format_tl , pos-number .choice: , pos-number / sub .code:n = - \bool_set_true:N \l_chemmacros_nmr_position_sub_bool , + \bool_set_true:N \l__chemmacros_nmr_position_sub_bool , pos-number / side .code:n = - \bool_set_false:N \l_chemmacros_nmr_position_sub_bool , - coupling-unit .tl_set:N = \l_chemmacros_nmr_coupling_unit_tl , - parse .bool_set:N = \l_chemmacros_nmr_parse_bool , + \bool_set_false:N \l__chemmacros_nmr_position_sub_bool , + coupling-unit .tl_set:N = \l__chemmacros_nmr_coupling_unit_tl , + parse .bool_set:N = \l__chemmacros_nmr_parse_bool , delta .code:n = - \tl_set:Nn \l_chemmacros_nmr_delta_tl { \, #1 } , - list .bool_set:N = \l_chemmacros_nmr_list_bool , + \tl_set:Nn \l__chemmacros_nmr_delta_tl { \, #1 } , + list .bool_set:N = \l__chemmacros_nmr_list_bool , list .default:n = true , - list-setup .tl_set:N = \l_chemmacros_nmr_list_setup_tl , - use-equal .bool_set:N = \l_chemmacros_nmr_use_equal_bool , + list-setup .tl_set:N = \l__chemmacros_nmr_list_setup_tl , + use-equal .bool_set:N = \l__chemmacros_nmr_use_equal_bool , use-equal .default:n = true } -\prop_new:N \l_chemmacros_nmr_prop +\prop_new:N \l__chemmacros_nmr_prop \NewDocumentCommand \DeclareChemNMR { mm } { - \prop_if_in:NnTF \l_chemmacros_nmr_prop { #1 } + \prop_if_in:NnTF \l__chemmacros_nmr_prop { #1 } { \chemmacros_msg:nnxx { chemmacros } { declare-nmr } { #1 } { } } { - \prop_put:Nnn \l_chemmacros_nmr_prop { #1 } { #2 } + \prop_put:Nnn \l__chemmacros_nmr_prop { #1 } { #2 } \NewDocumentCommand #1 { s } { \IfBooleanTF {##1} { \NMR*{#2} } { \NMR{#2} } } } @@ -1985,9 +1985,9 @@ \NewDocumentCommand \RenewChemNMR { mm } { - \prop_if_in:NnTF \l_chemmacros_nmr_prop { #1 } + \prop_if_in:NnTF \l__chemmacros_nmr_prop { #1 } { - \prop_put:Nnn \l_chemmacros_nmr_prop { #1 } { #2 } + \prop_put:Nnn \l__chemmacros_nmr_prop { #1 } { #2 } \NewDocumentCommand #1 { s } { \IfBooleanTF {##1} { \NMR*{#2} } { \NMR{#2} } } } @@ -2000,34 +2000,34 @@ % \NMR* same but without ": $\delta$" at end \NewDocumentCommand \NMR { s g d() o } { - \bool_if:NT \l_chemmacros_nmr_list_bool { \item \scan_stop: } + \bool_if:NT \l__chemmacros_nmr_list_bool { \item \scan_stop: } \group_begin: \chemmacros_leave_vmode: - \bool_set_false:N \l_chemmacros_nmr_frequency_bool - \bool_set_false:N \l_chemmacros_nmr_solvent_bool + \bool_set_false:N \l__chemmacros_nmr_frequency_bool + \bool_set_false:N \l__chemmacros_nmr_solvent_bool \IfNoValueF { #3 } - { \bool_set_true:N \l_chemmacros_nmr_frequency_bool } + { \bool_set_true:N \l__chemmacros_nmr_frequency_bool } \IfNoValueF { #4 } - { \bool_set_true:N \l_chemmacros_nmr_solvent_bool } + { \bool_set_true:N \l__chemmacros_nmr_solvent_bool } \bool_if:nT { - \l_chemmacros_nmr_frequency_bool + \l__chemmacros_nmr_frequency_bool || - \l_chemmacros_nmr_solvent_bool + \l__chemmacros_nmr_solvent_bool } - { \bool_set_true:N \l_chemmacros_nmr_delimiters_bool } + { \bool_set_true:N \l__chemmacros_nmr_delimiters_bool } \bool_if:nT { - \l_chemmacros_nmr_frequency_bool + \l__chemmacros_nmr_frequency_bool && - \l_chemmacros_nmr_solvent_bool + \l__chemmacros_nmr_solvent_bool } - { \bool_set_true:N \l_chemmacros_nmr_comma_bool } + { \bool_set_true:N \l__chemmacros_nmr_comma_bool } \IfNoValueTF { #2 } { \chemmacros_nmr_nucleus:w - \l_chemmacros_nmr_isotope_default_tl , - \l_chemmacros_nmr_element_default_tl \q_stop + \l__chemmacros_nmr_isotope_default_tl , + \l__chemmacros_nmr_element_default_tl \q_stop } { \chemmacros_nmr_nucleus:w #2 \q_stop } \mode_if_math:TF @@ -2035,19 +2035,19 @@ \text { \group_begin: - \tl_use:N \l_chemmacros_nmr_format_tl + \tl_use:N \l__chemmacros_nmr_format_tl \chemmacros_nmr_base:VV - \g_chemmacros_nmr_isotope_tl - \g_chemmacros_nmr_element_tl - \bool_if:NT \l_chemmacros_nmr_delimiters_bool + \g__chemmacros_nmr_isotope_tl + \g__chemmacros_nmr_element_tl + \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ~ ( } - \bool_if:NT \l_chemmacros_nmr_frequency_bool + \bool_if:NT \l__chemmacros_nmr_frequency_bool { \chemmacros_nmr_frequency:n { #3 } } - \bool_if:NT \l_chemmacros_nmr_comma_bool + \bool_if:NT \l__chemmacros_nmr_comma_bool { , ~ } - \bool_if:NT \l_chemmacros_nmr_solvent_bool + \bool_if:NT \l__chemmacros_nmr_solvent_bool { \chemmacros_atom:n { #4 } } - \bool_if:NT \l_chemmacros_nmr_delimiters_bool + \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ) } \IfBooleanF { #1 } { : ~ } \group_end: @@ -2055,43 +2055,43 @@ \IfBooleanF { #1 } { \delta - \text { \l_chemmacros_nmr_delta_tl } - \bool_if:NT \l_chemmacros_nmr_use_equal_bool { = } + \text { \l__chemmacros_nmr_delta_tl } + \bool_if:NT \l__chemmacros_nmr_use_equal_bool { = } } } { \group_begin: - \tl_use:N \l_chemmacros_nmr_format_tl + \tl_use:N \l__chemmacros_nmr_format_tl \chemmacros_nmr_base:VV - \g_chemmacros_nmr_isotope_tl - \g_chemmacros_nmr_element_tl - \bool_if:NT \l_chemmacros_nmr_delimiters_bool + \g__chemmacros_nmr_isotope_tl + \g__chemmacros_nmr_element_tl + \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ~ ( } - \bool_if:NT \l_chemmacros_nmr_frequency_bool + \bool_if:NT \l__chemmacros_nmr_frequency_bool { \chemmacros_nmr_frequency:n { #3 } } - \bool_if:NT \l_chemmacros_nmr_comma_bool + \bool_if:NT \l__chemmacros_nmr_comma_bool { , ~ } - \bool_if:NT \l_chemmacros_nmr_solvent_bool + \bool_if:NT \l__chemmacros_nmr_solvent_bool { - \bool_if:NTF \l_chemmacros_nmr_parse_bool + \bool_if:NTF \l__chemmacros_nmr_parse_bool { - \bool_if:NTF \l_chemmacros_use_mhchem_bool + \bool_if:NTF \l__chemmacros_use_mhchem_bool { \ce { #4 } } { \ch { #4 } } } { #4 } } - \bool_if:NT \l_chemmacros_nmr_delimiters_bool + \bool_if:NT \l__chemmacros_nmr_delimiters_bool { ) } \IfBooleanF { #1 } { : } \group_end: \IfBooleanF { #1 } { \tl_use:N \c_space_tl $ \delta $ - \l_chemmacros_nmr_delta_tl - \bool_if:NT \l_chemmacros_nmr_use_equal_bool { ~ = } + \l__chemmacros_nmr_delta_tl + \bool_if:NT \l__chemmacros_nmr_use_equal_bool { ~ = } } - \bool_if:NF \l_chemmacros_nmr_comma_bool + \bool_if:NF \l__chemmacros_nmr_comma_bool { \IfBooleanF { #1 } { \chemmacros_xspace: } } } \group_end: @@ -2100,13 +2100,13 @@ \NewDocumentCommand \chemmacros_data:w { smo } { - \bool_if:NT \l_chemmacros_nmr_list_bool { \item } + \bool_if:NT \l__chemmacros_nmr_list_bool { \item } { - \tl_use:N \l_chemmacros_nmr_format_tl #2 + \tl_use:N \l__chemmacros_nmr_format_tl #2 \IfNoValueF { #3 } { ~ ( #3 ) } - \IfBooleanT { #1 } { \bool_if:NT \l_chemmacros_nmr_use_equal_bool { : } } + \IfBooleanT { #1 } { \bool_if:NT \l__chemmacros_nmr_use_equal_bool { : } } } - \IfBooleanF { #1 } { \bool_if:NT \l_chemmacros_nmr_use_equal_bool { ~ = } } + \IfBooleanF { #1 } { \bool_if:NT \l__chemmacros_nmr_use_equal_bool { ~ = } } } \cs_new_protected_nopar:Npn \chemmacros_val:n #1 @@ -2122,17 +2122,17 @@ { \group_begin: \IfNoValueF { #1 } { \keys_set:nn { chemmacros / nmr } { #1 } } - \bool_set_true:N \l_chemmacros_nmr_inner_bool + \bool_set_true:N \l__chemmacros_nmr_inner_bool \cs_set_eq:NN \# \chemmacros_nmr_number:n \cs_set_eq:NN \pos \chemmacros_nmr_position:n \cs_set_eq:NN \J \chemmacros_nmr_coupling:w \cs_set_eq:NN \data \chemmacros_data:w \cs_set_eq:NN \val \chemmacros_val:n - \bool_if:NT \l_chemmacros_nmr_list_bool - { \list {} { \l_chemmacros_nmr_list_setup_tl } } + \bool_if:NT \l__chemmacros_nmr_list_bool + { \list {} { \l__chemmacros_nmr_list_setup_tl } } } { - \bool_if:NT \l_chemmacros_nmr_list_bool + \bool_if:NT \l__chemmacros_nmr_list_bool { \endlist } \group_end: \chemmacros_ignore_spaces: @@ -2141,33 +2141,33 @@ \cs_new:Npn \chemmacros_nmr_number:n #1 { #1 \, - \bool_if:NTF \l_chemmacros_bpchem_bool - { \g_chemmacros_nmr_element_tl } - { \chemmacros_atom:V \g_chemmacros_nmr_element_tl } + \bool_if:NTF \l__chemmacros_bpchem_bool + { \g__chemmacros_nmr_element_tl } + { \chemmacros_atom:V \g__chemmacros_nmr_element_tl } } \cs_new:Npn \chemmacros_nmr_position:n #1 { - \bool_if:NTF \l_chemmacros_bpchem_bool + \bool_if:NTF \l__chemmacros_bpchem_bool { - \tl_use:N \g_chemmacros_nmr_element_tl - \bool_if:NTF \l_chemmacros_nmr_position_sub_bool + \tl_use:N \g__chemmacros_nmr_element_tl + \bool_if:NTF \l__chemmacros_nmr_position_sub_bool { $\sb{#1}$ } { - #1 } } { - \bool_if:NTF \l_chemmacros_nmr_position_sub_bool + \bool_if:NTF \l__chemmacros_nmr_position_sub_bool { - \chemmacros_chemformula:x { \g_chemmacros_nmr_element_tl _ #1 } + \chemmacros_chemformula:x { \g__chemmacros_nmr_element_tl _ #1 } } - { \chemmacros_atom:V \g_chemmacros_nmr_element_tl - #1 } + { \chemmacros_atom:V \g__chemmacros_nmr_element_tl - #1 } } } \cs_new:Npn \chemmacros_nmr_coupling:w { - \tl_clear:N \l_chemmacros_nmr_coupling_nuclei_tl - \tl_clear:N \l_chemmacros_nmr_coupling_bonds_tl + \tl_clear:N \l__chemmacros_nmr_coupling_nuclei_tl + \tl_clear:N \l__chemmacros_nmr_coupling_bonds_tl \peek_meaning:NTF ( { \chemmacros_nmr_coupling_auxi:w } { \chemmacros_nmr_coupling_auxii:w } @@ -2175,10 +2175,10 @@ \cs_new:Npn \chemmacros_nmr_coupling_auxi:w (#1;#2) { - \tl_set:Nn \l_chemmacros_nmr_coupling_bonds_tl { #1 } - \tl_set:Nn \l_chemmacros_nmr_coupling_nuclei_tl { #2 } - \tl_put_right:Nn \l_chemmacros_nmr_coupling_nuclei_tl { ) } - \tl_put_left:Nn \l_chemmacros_nmr_coupling_nuclei_tl { ( } + \tl_set:Nn \l__chemmacros_nmr_coupling_bonds_tl { #1 } + \tl_set:Nn \l__chemmacros_nmr_coupling_nuclei_tl { #2 } + \tl_put_right:Nn \l__chemmacros_nmr_coupling_nuclei_tl { ) } + \tl_put_left:Nn \l__chemmacros_nmr_coupling_nuclei_tl { ( } \chemmacros_nmr_coupling_auxii:w } @@ -2199,8 +2199,8 @@ list-units=single } \( - ^{ \l_chemmacros_nmr_coupling_bonds_tl } J - \l_chemmacros_nmr_coupling_nuclei_tl = \SIlist{#2}{#1} + ^{ \l__chemmacros_nmr_coupling_bonds_tl } J + \l__chemmacros_nmr_coupling_nuclei_tl = \SIlist{#2}{#1} \) \group_end: } @@ -2215,9 +2215,9 @@ list-units=single } \( - ^{ \l_chemmacros_nmr_coupling_bonds_tl } J - \l_chemmacros_nmr_coupling_nuclei_tl - = \exp_args:Nno \SIlist { #1 } { \l_chemmacros_nmr_coupling_unit_tl } + ^{ \l__chemmacros_nmr_coupling_bonds_tl } J + \l__chemmacros_nmr_coupling_nuclei_tl + = \exp_args:Nno \SIlist { #1 } { \l__chemmacros_nmr_coupling_unit_tl } \) \group_end: } @@ -2228,35 +2228,35 @@ { \settowidth { #1 } { #2 } } \cs_generate_variant:Nn \dim_to_width:nn { Nn } -\bool_new:N \l_chemmacros_mhname_width_bool -\bool_set_false:N \l_chemmacros_mhname_width_bool -\dim_new:N \l_chemmacros_mhname_width_dim +\bool_new:N \l__chemmacros_mhname_width_bool +\bool_set_false:N \l__chemmacros_mhname_width_bool +\dim_new:N \l__chemmacros_mhname_width_dim -\tl_new:N \l_chemmacros_mhname_align_tl -\tl_set:Nn \l_chemmacros_mhname_align_tl { \centering } +\tl_new:N \l__chemmacros_mhname_align_tl +\tl_set:Nn \l__chemmacros_mhname_align_tl { \centering } -\tl_new:N \l_chemmacros_mhname_format_tl -\tl_new:N \l_chemmacros_mhname_fontsize_tl -\tl_set:Nn \l_chemmacros_mhname_fontsize_tl { \tiny } +\tl_new:N \l__chemmacros_mhname_format_tl +\tl_new:N \l__chemmacros_mhname_fontsize_tl +\tl_set:Nn \l__chemmacros_mhname_fontsize_tl { \tiny } \keys_define:nn { chemmacros / mhName } { - align .tl_set:N = \l_chemmacros_mhname_align_tl , - format .tl_set:N = \l_chemmacros_mhname_format_tl , - fontsize .tl_set:N = \l_chemmacros_mhname_fontsize_tl , + align .tl_set:N = \l__chemmacros_mhname_align_tl , + format .tl_set:N = \l__chemmacros_mhname_format_tl , + fontsize .tl_set:N = \l__chemmacros_mhname_fontsize_tl , width .code:n = { \tl_if_eq:nnTF { #1 } { auto } - { \bool_set_false:N \l_chemmacros_mhname_width_bool } + { \bool_set_false:N \l__chemmacros_mhname_width_bool } { - \bool_set_true:N \l_chemmacros_mhname_width_bool - \dim_set:Nn \l_chemmacros_mhname_width_dim { #1 } + \bool_set_true:N \l__chemmacros_mhname_width_bool + \dim_set:Nn \l__chemmacros_mhname_width_dim { #1 } } } } % \mhName[<keyval>]{<chemformula>}{<text>} -\bool_if:nF { \l_chemmacros_version_one_bool || \l_chemmacros_use_mhchem_bool } +\bool_if:nF { \l__chemmacros_version_one_bool || \l__chemmacros_use_mhchem_bool } { \NewDocumentCommand \mhName { o m m } { @@ -2266,14 +2266,14 @@ { \underset { - \bool_if:NF \l_chemmacros_mhname_width_bool - { \dim_to_width:Nn \l_chemmacros_mhname_width_dim { #2 } } + \bool_if:NF \l__chemmacros_mhname_width_bool + { \dim_to_width:Nn \l__chemmacros_mhname_width_dim { #2 } } \parbox - { \dim_use:N \l_chemmacros_mhname_width_dim } + { \dim_use:N \l__chemmacros_mhname_width_dim } { - \tl_use:N \l_chemmacros_mhname_align_tl - \tl_use:N \l_chemmacros_mhname_format_tl - \tl_use:N \l_chemmacros_mhname_fontsize_tl + \tl_use:N \l__chemmacros_mhname_align_tl + \tl_use:N \l__chemmacros_mhname_format_tl + \tl_use:N \l__chemmacros_mhname_fontsize_tl #3 } } @@ -2285,57 +2285,57 @@ % --------------------------------------------------------------------------- % % - phases -\bool_new:N \l_chemmacros_phases_sub_bool -\dim_new:N \l_chemmacros_phases_space_dim -\dim_set:Nn \l_chemmacros_phases_space_dim { .1333 em } +\bool_new:N \l__chemmacros_phases_sub_bool +\dim_new:N \l__chemmacros_phases_space_dim +\dim_set:Nn \l__chemmacros_phases_space_dim { .1333 em } \keys_define:nn { chemmacros / phases } { pos .choice: , - pos / sub .code:n = \bool_set_true:N \l_chemmacros_phases_sub_bool , - pos / side .code:n = \bool_set_false:N \l_chemmacros_phases_sub_bool , - space .dim_set:N = \l_chemmacros_phases_space_dim + pos / sub .code:n = \bool_set_true:N \l__chemmacros_phases_sub_bool , + pos / side .code:n = \bool_set_false:N \l__chemmacros_phases_sub_bool , + space .dim_set:N = \l__chemmacros_phases_space_dim } -\prop_new:N \l_chemmacros_phases_prop -\prop_new:N \l_chemmacros_phases_german_prop +\prop_new:N \l__chemmacros_phases_prop +\prop_new:N \l__chemmacros_phases_german_prop \NewDocumentCommand \DeclareChemPhase { mom } { - \tl_set_rescan:Nnn \l_chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } - \tl_set:Nf \l_chemmacros_tmpa_tl { \tl_tail:V \l_chemmacros_tmpa_tl } + \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } + \tl_set:Nf \l__chemmacros_tmpa_tl { \tl_tail:V \l__chemmacros_tmpa_tl } \cs_if_free:NTF #1 { \cs_new_nopar:Npn #1 {} } { \chemmacros_msg:nnxx { chemmacros } { declare-phase } { #1 } {} } \IfNoValueTF { #2 } - { \prop_put:Non \l_chemmacros_phases_german_prop { \l_chemmacros_tmpa_tl } { #3 } } - { \prop_put:Non \l_chemmacros_phases_german_prop { \l_chemmacros_tmpa_tl } { #2 } } - \prop_put:Non \l_chemmacros_phases_prop { \l_chemmacros_tmpa_tl } { #3 } + { \prop_put:Non \l__chemmacros_phases_german_prop { \l__chemmacros_tmpa_tl } { #3 } } + { \prop_put:Non \l__chemmacros_phases_german_prop { \l__chemmacros_tmpa_tl } { #2 } } + \prop_put:Non \l__chemmacros_phases_prop { \l__chemmacros_tmpa_tl } { #3 } \chemmacros_make_phases: } \NewDocumentCommand \RenewChemPhase { mom } { - \tl_set_rescan:Nnn \l_chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } - \tl_set:Nf \l_chemmacros_tmpa_tl { \tl_tail:V \l_chemmacros_tmpa_tl } + \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl { \char_set_catcode_letter:N \\ } { #1 } + \tl_set:Nf \l__chemmacros_tmpa_tl { \tl_tail:V \l__chemmacros_tmpa_tl } \cs_if_free:NT #1 { \chemmacros_msg:nnxx { chemmacros } { renew-phase } { #1 } {} } \IfNoValueTF { #2 } - { \prop_put:Non \l_chemmacros_phases_german_prop { \l_chemmacros_tmpa_tl } { #3 } } - { \prop_put:Non \l_chemmacros_phases_german_prop { \l_chemmacros_tmpa_tl } { #2 } } - \prop_put:Non \l_chemmacros_phases_prop { \l_chemmacros_tmpa_tl } { #3 } + { \prop_put:Non \l__chemmacros_phases_german_prop { \l__chemmacros_tmpa_tl } { #3 } } + { \prop_put:Non \l__chemmacros_phases_german_prop { \l__chemmacros_tmpa_tl } { #2 } } + \prop_put:Non \l__chemmacros_phases_prop { \l__chemmacros_tmpa_tl } { #3 } \chemmacros_make_phases: } \cs_new_nopar:Npn \chemmacros_make_phases: { - \bool_if:NTF \l_chemmacros_german_bool + \bool_if:NTF \l__chemmacros_german_bool { - \prop_map_function:NN \l_chemmacros_phases_german_prop + \prop_map_function:NN \l__chemmacros_phases_german_prop \chemmacros_define_phases:nn } { - \prop_map_function:NN \l_chemmacros_phases_prop + \prop_map_function:NN \l__chemmacros_phases_prop \chemmacros_define_phases:nn } } @@ -2344,16 +2344,16 @@ { \cs_set_nopar:cpn { #1 } { - \bool_if:NTF \l_chemmacros_phases_sub_bool + \bool_if:NTF \l__chemmacros_phases_sub_bool { - \bool_if:NTF \l_chemformula_inside_ch_bool + \bool_if:NTF \l__chemformula_inside_ch_bool { \chemformula_subscript:n { ( #2 ) } } { \ensuremath { \c_math_subscript_token { \text { (#2) } } } } } { \ensuremath { - \skip_horizontal:N \l_chemmacros_phases_space_dim + \skip_horizontal:N \l__chemmacros_phases_space_dim \text { (#2) } } } @@ -2367,18 +2367,18 @@ \NewDocumentCommand \phase { m } { - \bool_if:NTF \l_chemmacros_phases_sub_bool + \bool_if:NTF \l__chemmacros_phases_sub_bool { \ensuremath { \c_math_subscript_token { \text { (#1) } } } } { \ensuremath { - \skip_horizontal:N \l_chemmacros_phases_space_dim + \skip_horizontal:N \l__chemmacros_phases_space_dim \text { (#1) } } } } -\bool_if:NT \l_chemmacros_version_one_bool +\bool_if:NT \l__chemmacros_version_one_bool { \cs_new_eq:NN \solid \sld \cs_new_eq:NN \liquid \lqd @@ -2402,45 +2402,45 @@ { \addcontentsline { lor } { reaction } { - \l_chemmacros_reaction_lorname_tl #3 #2 ##1 #4 - \tl_use:N \g_chemmacros_reaction_description_tl + \l__chemmacros_reaction_lorname_tl #3 #2 ##1 #4 + \tl_use:N \g__chemmacros_reaction_description_tl } - \tl_gclear:N \g_chemmacros_reaction_description_tl + \tl_gclear:N \g__chemmacros_reaction_description_tl } } } } -\tl_new:N \g_chemmacros_reaction_description_tl +\tl_new:N \g__chemmacros_reaction_description_tl \NewDocumentCommand \AddRxnDesc { m } { \tl_if_blank:nF { #1 } - { \tl_gset:Nn \g_chemmacros_reaction_description_tl { : ~ #1 } } + { \tl_gset:Nn \g__chemmacros_reaction_description_tl { : ~ #1 } } } % define \listofreactions -\tl_new:N \l_chemmacros_reaction_lorname_tl -\tl_set:Nn \l_chemmacros_reaction_lorname_tl { Reaction ~ } +\tl_new:N \l__chemmacros_reaction_lorname_tl +\tl_set:Nn \l__chemmacros_reaction_lorname_tl { Reaction ~ } \tl_new:N \reactionlistname \tl_set:Nn \reactionlistname { List~of~reactions } % language settings \AtBeginDocument { - \bool_if:NT \l_chemmacros_german_bool + \bool_if:NT \l__chemmacros_german_bool { \tl_set:Nn \reactionlistname { Reaktionsverzeichnis } - \tl_set:Nn \l_chemmacros_reaction_lorname_tl { Reaktion ~ } + \tl_set:Nn \l__chemmacros_reaction_lorname_tl { Reaktion ~ } } - \bool_if:NT \l_chemmacros_italian_bool + \bool_if:NT \l__chemmacros_italian_bool { \tl_set:Nn \reactionlistname { Elenco ~ delle ~ reazioni } - \tl_set:Nn \l_chemmacros_reaction_lorname_tl { Reazione ~ } + \tl_set:Nn \l__chemmacros_reaction_lorname_tl { Reazione ~ } } - \bool_if:NT \l_chemmacros_french_bool + \bool_if:NT \l__chemmacros_french_bool { \tl_set:Nn \reactionlistname { Table ~ des ~ r\'eactions } - \tl_set:Nn \l_chemmacros_reaction_lorname_tl { R\'eaction ~ } + \tl_set:Nn \l__chemmacros_reaction_lorname_tl { R\'eaction ~ } } } @@ -2451,7 +2451,7 @@ { \@dottedtocline { 1 } { 1.5em } { 2.3em } { #1 } { #2 } } % create tagform -\bool_if:NTF \l_chemmacros_version_one_bool +\bool_if:NTF \l__chemmacros_version_one_bool { \newtagform { CMreaction } { \{ } { \} } } { \newtagform { reaction } { \{ } { \} } } \newcounter { chemmacros_save_reaction } @@ -2461,17 +2461,17 @@ \cs_new_nopar:Npn \chemmacros_begin_reaction: { % create individual names for `hyperref': - \bool_if:NT \l_chemmacros_hyperref_bool + \bool_if:NT \l__chemmacros_hyperref_bool { \cs_set_nopar:Npn \theHequation { R . \theHsection . \arabic { reaction } } } % enable labelformat `reaction': - \bool_if:NT \l_chemmacros_varioref_bool + \bool_if:NT \l__chemmacros_varioref_bool { \cs_set_eq:NN \p@equation \p@reaction } \setcounter { chemmacros_save_reaction } { \value { equation } } \setcounter { equation } { \value { reaction } } - \bool_if:NTF \l_chemmacros_version_one_bool + \bool_if:NTF \l__chemmacros_version_one_bool { \usetagform { CMreaction } } { \usetagform { reaction } } } @@ -2484,22 +2484,22 @@ } % --------------------------------------------------------------------------- % -\bool_new:N \l_chemmacros_reactions_star_bool -\bool_new:N \l_chemmacros_reactions_args_bool +\bool_new:N \l__chemmacros_reactions_star_bool +\bool_new:N \l__chemmacros_reactions_args_bool \keys_define:nn { chemmacros / reaction } { - star .bool_set:N = \l_chemmacros_reactions_star_bool , + star .bool_set:N = \l__chemmacros_reactions_star_bool , star .default:n = true , - arg .bool_set:N = \l_chemmacros_reactions_args_bool , + arg .bool_set:N = \l__chemmacros_reactions_args_bool , arg .default:n = true , list-name .tl_set:N = \reactionlistname , list-entry .code:n = - \tl_set:Nn \l_chemmacros_reaction_lorname_tl { #1 ~ } + \tl_set:Nn \l__chemmacros_reaction_lorname_tl { #1 ~ } } % \DeclareChemReaction[<keyval>]{<name>}{<type>} -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \NewDocumentCommand \DeclareChemReaction { o m m } { @@ -2508,11 +2508,11 @@ { \IfNoValueTF { #1 } { - \bool_set_false:N \l_chemmacros_reactions_star_bool - \bool_set_false:N \l_chemmacros_reactions_args_bool + \bool_set_false:N \l__chemmacros_reactions_star_bool + \bool_set_false:N \l__chemmacros_reactions_args_bool } { \keys_set:nn { chemmacros / reaction } { #1 } } - \bool_if:NTF \l_chemmacros_reactions_args_bool + \bool_if:NTF \l__chemmacros_reactions_args_bool { \NewEnviron { #2 } [ 2 ] [] { @@ -2523,7 +2523,7 @@ \end{ #3 } \chemmacros_end_reaction: } - \bool_if:NT \l_chemmacros_reactions_star_bool + \bool_if:NT \l__chemmacros_reactions_star_bool { \NewEnviron { #2* } [ 1 ] { @@ -2543,7 +2543,7 @@ \end { #3 } \chemmacros_end_reaction: } - \bool_if:NT \l_chemmacros_reactions_star_bool + \bool_if:NT \l__chemmacros_reactions_star_bool { \NewEnviron { #2* } { @@ -2566,14 +2566,14 @@ \cs_new:Npn \chemmacros_equation_chemformula:n #1 { - \bool_if:NTF \l_chemmacros_use_mhchem_bool + \bool_if:NTF \l__chemmacros_use_mhchem_bool { \cee { #1 } } { \ch { #1 } } } \cs_generate_variant:Nn \chemmacros_equation_chemformula:n { o } % predefined: -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \DeclareChemReaction [ star ] { reaction } { equation } \DeclareChemReaction [ star ] { reactions } { align } @@ -2606,37 +2606,37 @@ % --------------------------------------------------------------------------- % % \State -\tl_new:N \l_chemmacros_State_delta_tl -\tl_set:Nn \l_chemmacros_State_delta_tl { \Delta } -\bool_new:N \l_chemmacros_State_delta_bool -\bool_set_true:N \l_chemmacros_State_delta_bool -\bool_new:N \l_chemmacros_State_subscript_left_bool -\bool_set_true:N \l_chemmacros_State_subscript_left_bool -\bool_new:N \l_chemmacros_State_exponent_bool -\bool_set_true:N \l_chemmacros_State_exponent_bool -\tl_new:N \l_chemmacros_State_exponent_tl -\tl_set:Nn \l_chemmacros_State_exponent_tl { \standardstate } +\tl_new:N \l__chemmacros_State_delta_tl +\tl_set:Nn \l__chemmacros_State_delta_tl { \Delta } +\bool_new:N \l__chemmacros_State_delta_bool +\bool_set_true:N \l__chemmacros_State_delta_bool +\bool_new:N \l__chemmacros_State_subscript_left_bool +\bool_set_true:N \l__chemmacros_State_subscript_left_bool +\bool_new:N \l__chemmacros_State_exponent_bool +\bool_set_true:N \l__chemmacros_State_exponent_bool +\tl_new:N \l__chemmacros_State_exponent_tl +\tl_set:Nn \l__chemmacros_State_exponent_tl { \standardstate } \keys_define:nn { chemmacros / state } { delta .code:n = { \exp_args:Nf \tl_if_eq:nnTF { #1 } { false } - { \bool_set_false:N \l_chemmacros_State_delta_bool } + { \bool_set_false:N \l__chemmacros_State_delta_bool } { - \bool_set_true:N \l_chemmacros_State_delta_bool - \tl_set:Nn \l_chemmacros_State_delta_tl { #1 } + \bool_set_true:N \l__chemmacros_State_delta_bool + \tl_set:Nn \l__chemmacros_State_delta_tl { #1 } } } , - subscript-left .bool_set:N = \l_chemmacros_State_subscript_left_bool , + subscript-left .bool_set:N = \l__chemmacros_State_subscript_left_bool , subscript-left .default:n = true , exponent .code:n = { \exp_args:Nf \tl_if_eq:nnTF { #1 } { false } - { \bool_set_false:N \l_chemmacros_State_exponent_bool } + { \bool_set_false:N \l__chemmacros_State_exponent_bool } { - \bool_set_true:N \l_chemmacros_State_exponent_bool - \tl_set:Nn \l_chemmacros_State_exponent_tl { #1 } + \bool_set_true:N \l__chemmacros_State_exponent_bool + \tl_set:Nn \l__chemmacros_State_exponent_tl { #1 } } } , exponent .default:n = \standardstate @@ -2654,21 +2654,21 @@ { \keys_set:nn { chemmacros / state } { #1 } } \ensuremath { - \bool_if:NT \l_chemmacros_State_delta_bool - { \tl_use:N \l_chemmacros_State_delta_tl } - \bool_if:NT \l_chemmacros_State_subscript_left_bool + \bool_if:NT \l__chemmacros_State_delta_bool + { \tl_use:N \l__chemmacros_State_delta_tl } + \bool_if:NT \l__chemmacros_State_subscript_left_bool { \c_math_subscript_token { \text { #3 } } } #2 - \bool_if:NF \l_chemmacros_State_subscript_left_bool + \bool_if:NF \l__chemmacros_State_subscript_left_bool { \c_math_subscript_token { \text { #3 } } } - \bool_if:NT \l_chemmacros_State_exponent_bool - { ^ { \tl_use:N \l_chemmacros_State_exponent_tl } } + \bool_if:NT \l__chemmacros_State_exponent_bool + { ^ { \tl_use:N \l__chemmacros_State_exponent_tl } } } \group_end: } \cs_generate_variant:Nn \chemmacros_state:nnn { fnn,xnn } -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \NewDocumentCommand \State { s o m G{} } { @@ -2684,52 +2684,52 @@ } % --------------------------------------------------------------------------- % -\tl_new:N \l_chemmacros_thermod_subscript_left_tl -\tl_new:N \l_chemmacros_thermod_subscript_left_default_tl -\tl_new:N \l_chemmacros_thermod_subscript_tl -\tl_new:N \l_chemmacros_thermod_subscript_default_tl +\tl_new:N \l__chemmacros_thermod_subscript_left_tl +\tl_new:N \l__chemmacros_thermod_subscript_left_default_tl +\tl_new:N \l__chemmacros_thermod_subscript_tl +\tl_new:N \l__chemmacros_thermod_subscript_default_tl -\tl_new:N \l_chemmacros_thermod_unit_tl +\tl_new:N \l__chemmacros_thermod_unit_tl -\tl_new:N \l_chemmacros_thermod_exponent_tl -\tl_new:N \l_chemmacros_thermod_exponent_default_tl -\tl_set:Nn \l_chemmacros_thermod_exponent_default_tl { \standardstate } +\tl_new:N \l__chemmacros_thermod_exponent_tl +\tl_new:N \l__chemmacros_thermod_exponent_default_tl +\tl_set:Nn \l__chemmacros_thermod_exponent_default_tl { \standardstate } -\tl_new:N \l_chemmacros_thermod_delta_tl -\tl_new:N \l_chemmacros_thermod_delta_default_tl -\tl_set:Nn \l_chemmacros_thermod_delta_default_tl { \Delta } +\tl_new:N \l__chemmacros_thermod_delta_tl +\tl_new:N \l__chemmacros_thermod_delta_default_tl +\tl_set:Nn \l__chemmacros_thermod_delta_default_tl { \Delta } -\bool_new:N \l_chemmacros_renewstate_bool +\bool_new:N \l__chemmacros_renewstate_bool \keys_define:nn { chemmacros } { State / subscript .choice: , State / subscript / left .code:n = - { \tl_set:Nn \l_chemmacros_thermod_subscript_left_tl { true } } , + { \tl_set:Nn \l__chemmacros_thermod_subscript_left_tl { true } } , State / subscript / right .code:n = - { \tl_set:Nn \l_chemmacros_thermod_subscript_left_tl { false } } , + { \tl_set:Nn \l__chemmacros_thermod_subscript_left_tl { false } } , State / exponent .tl_set:N = - \l_chemmacros_thermod_exponent_tl , + \l__chemmacros_thermod_exponent_tl , State / delta .tl_set:N = - \l_chemmacros_thermod_delta_tl , + \l__chemmacros_thermod_delta_tl , State / unit .tl_set:N = - \l_chemmacros_thermod_unit_tl , + \l__chemmacros_thermod_unit_tl , setnewstate / subscript-left .tl_set:N = - \l_chemmacros_thermod_subscript_left_default_tl , + \l__chemmacros_thermod_subscript_left_default_tl , setnewstate / subscript .tl_set:N = - \l_chemmacros_thermod_subscript_default_tl , + \l__chemmacros_thermod_subscript_default_tl , setnewstate / exponent .tl_set:N = - \l_chemmacros_thermod_exponent_default_tl , + \l__chemmacros_thermod_exponent_default_tl , setnewstate / delta .tl_set:N = - \l_chemmacros_thermod_delta_default_tl + \l__chemmacros_thermod_delta_default_tl } % \DeclareChemState[<keyval>]{<name>}{<symbol>}{<unit>} -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \cs_new:Npn \DeclareChemState { - \bool_set_false:N \l_chemmacros_renewstate_bool + \bool_set_false:N \l__chemmacros_renewstate_bool \chemmacros_setnewstate_reset: \peek_meaning:NTF [ { \setnewstate_aux_i:n } @@ -2738,7 +2738,7 @@ % \RenewChemState[<keyval>]{<name>}{<symbol>}{<unit>} \cs_new:Npn \RenewChemState { - \bool_set_true:N \l_chemmacros_renewstate_bool + \bool_set_true:N \l__chemmacros_renewstate_bool \chemmacros_setnewstate_reset: \peek_meaning:NTF [ { \setnewstate_aux_i:n } @@ -2760,10 +2760,10 @@ \cs_new_nopar:Npn \chemmacros_setnewstate_reset: { - \tl_set:Nn \l_chemmacros_thermod_subscript_left_default_tl { true } - \tl_clear:N \l_chemmacros_thermod_subscript_default_tl - \tl_set:Nn \l_chemmacros_thermod_exponent_default_tl { \standardstate } - \tl_set:Nn \l_chemmacros_thermod_delta_default_tl { \Delta } + \tl_set:Nn \l__chemmacros_thermod_subscript_left_default_tl { true } + \tl_clear:N \l__chemmacros_thermod_subscript_default_tl + \tl_set:Nn \l__chemmacros_thermod_exponent_default_tl { \standardstate } + \tl_set:Nn \l__chemmacros_thermod_delta_default_tl { \Delta } } \cs_new:Npn \setnewstate_aux_i:n [#1] @@ -2774,16 +2774,16 @@ \cs_new:Npn \setnewstate_aux_ii:nnn #1#2#3 { - \bool_if:NTF \l_chemmacros_renewstate_bool + \bool_if:NTF \l__chemmacros_renewstate_bool { \cs_if_exist:cF { #1 } { \msg_error:nnx { chemmacros } { renewstate } { #1 } } \cs_undefine:c {chemmacros_ #1 _reset: } - \cs_undefine:c { l_chemmacros_ #1 _subscript_tl } - \cs_undefine:c { l_chemmacros_ #1 _exponent_tl } - \cs_undefine:c { l_chemmacros_ #1 _delta_tl } - \cs_undefine:c { l_chemmacros_ #1 _left_tl } - \cs_undefine:c { l_chemmacros_ #1 _unit_tl } + \cs_undefine:c { l__chemmacros_ #1 _subscript_tl } + \cs_undefine:c { l__chemmacros_ #1 _exponent_tl } + \cs_undefine:c { l__chemmacros_ #1 _delta_tl } + \cs_undefine:c { l__chemmacros_ #1 _left_tl } + \cs_undefine:c { l__chemmacros_ #1 _unit_tl } \cs_undefine:c { #1 } \cs_undefine:c { #1 _aux_i:n } \cs_undefine:c { #1 _aux_ii:n } @@ -2795,37 +2795,37 @@ } \group_begin: \exp_args:Nnf \tl_const:cn - { l_chemmacros_ #1 _subscript_tl } - { \tl_use:N \l_chemmacros_thermod_subscript_default_tl } + { l__chemmacros_ #1 _subscript_tl } + { \tl_use:N \l__chemmacros_thermod_subscript_default_tl } \exp_args:Nnf \tl_const:cn - { l_chemmacros_ #1 _exponent_tl } - { \tl_use:N \l_chemmacros_thermod_exponent_default_tl } + { l__chemmacros_ #1 _exponent_tl } + { \tl_use:N \l__chemmacros_thermod_exponent_default_tl } \exp_args:Nnf \tl_const:cn - { l_chemmacros_ #1 _delta_tl } - { \tl_use:N \l_chemmacros_thermod_delta_default_tl } + { l__chemmacros_ #1 _delta_tl } + { \tl_use:N \l__chemmacros_thermod_delta_default_tl } \exp_args:Nnf \tl_const:cn - { l_chemmacros_ #1 _left_tl } - { \tl_use:N \l_chemmacros_thermod_subscript_left_default_tl } + { l__chemmacros_ #1 _left_tl } + { \tl_use:N \l__chemmacros_thermod_subscript_left_default_tl } \tl_const:cn - { l_chemmacros_ #1 _unit_tl } + { l__chemmacros_ #1 _unit_tl } { #3 } \cs_new_nopar:cpn {chemmacros_ #1 _reset: } { \tl_set_eq:Nc - \l_chemmacros_thermod_subscript_tl - { l_chemmacros_ #1 _subscript_tl } + \l__chemmacros_thermod_subscript_tl + { l__chemmacros_ #1 _subscript_tl } \tl_set_eq:Nc - \l_chemmacros_thermod_exponent_tl - { l_chemmacros_ #1 _exponent_tl } + \l__chemmacros_thermod_exponent_tl + { l__chemmacros_ #1 _exponent_tl } \tl_set_eq:Nc - \l_chemmacros_thermod_delta_tl - { l_chemmacros_ #1 _delta_tl } + \l__chemmacros_thermod_delta_tl + { l__chemmacros_ #1 _delta_tl } \tl_set_eq:Nc - \l_chemmacros_thermod_subscript_left_tl - { l_chemmacros_ #1 _left_tl } + \l__chemmacros_thermod_subscript_left_tl + { l__chemmacros_ #1 _left_tl } \tl_set_eq:Nc - \l_chemmacros_thermod_unit_tl - { l_chemmacros_ #1 _unit_tl } + \l__chemmacros_thermod_unit_tl + { l__chemmacros_ #1 _unit_tl } } \cs_new_nopar:cpn { #1 } { @@ -2847,7 +2847,7 @@ } \cs_new_nopar:cpn { #1 _aux_ii:n } (##1) { - \tl_set:Nn \l_chemmacros_thermod_subscript_tl { ##1 } + \tl_set:Nn \l__chemmacros_thermod_subscript_tl { ##1 } \tl_use:c { #1 _aux_iii:n } } \cs_new_nopar:cpn { #1 _aux_iii:n } ##1 @@ -2855,15 +2855,15 @@ \ensuremath { \exp_args:Nf \tl_if_eq:nnTF - { \tl_use:N \l_chemmacros_thermod_subscript_left_tl } { true } + { \tl_use:N \l__chemmacros_thermod_subscript_left_tl } { true } { \chemmacros_state:fnn { subscript-left = true , exponent = - { \tl_use:N \l_chemmacros_thermod_exponent_tl } , + { \tl_use:N \l__chemmacros_thermod_exponent_tl } , delta = - { \tl_use:N \l_chemmacros_thermod_delta_tl } + { \tl_use:N \l__chemmacros_thermod_delta_tl } } { #2 } } @@ -2872,15 +2872,15 @@ { subscript-left = false , exponent = - { \tl_use:N \l_chemmacros_thermod_exponent_tl } , + { \tl_use:N \l__chemmacros_thermod_exponent_tl } , delta = - { \tl_use:N \l_chemmacros_thermod_delta_tl } + { \tl_use:N \l__chemmacros_thermod_delta_tl } } { #2 } } - { \tl_use:N \l_chemmacros_thermod_subscript_tl } + { \tl_use:N \l__chemmacros_thermod_subscript_tl } = - \exp_args:Nno \SI { ##1 } { \l_chemmacros_thermod_unit_tl } + \exp_args:Nno \SI { ##1 } { \l__chemmacros_thermod_unit_tl } } } \group_end: @@ -2888,7 +2888,7 @@ } % predefined: -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \DeclareChemState {Enthalpy} {H} {\kilo\joule\per\mole} \DeclareChemState [ delta=false, subscript-left=false ] {Entropy} @@ -2898,46 +2898,46 @@ % --------------------------------------------------------------------------- % % Newman projections -\fp_new:N \l_chemmacros_newman_rel_angle_fp -\fp_zero:N \l_chemmacros_newman_rel_angle_fp -\fp_new:N \l_chemmacros_newman_tmp_angle_fp -\fp_new:N \l_chemmacros_newman_abs_angle_fp -\fp_zero:N \l_chemmacros_newman_abs_angle_fp +\fp_new:N \l__chemmacros_newman_rel_angle_fp +\fp_zero:N \l__chemmacros_newman_rel_angle_fp +\fp_new:N \l__chemmacros_newman_tmp_angle_fp +\fp_new:N \l__chemmacros_newman_abs_angle_fp +\fp_zero:N \l__chemmacros_newman_abs_angle_fp -\fp_new:N \l_chemmacros_newman_scale_fp -\fp_set:Nn \l_chemmacros_newman_scale_fp { 1 } +\fp_new:N \l__chemmacros_newman_scale_fp +\fp_set:Nn \l__chemmacros_newman_scale_fp { 1 } -\tl_new:N \l_chemmacros_newman_tikz_ring_tl -\tl_clear:N \l_chemmacros_newman_tikz_ring_tl +\tl_new:N \l__chemmacros_newman_tikz_ring_tl +\tl_clear:N \l__chemmacros_newman_tikz_ring_tl -\tl_new:N \l_chemmacros_newman_tikz_front_tl -\tl_clear:N \l_chemmacros_newman_tikz_front_tl +\tl_new:N \l__chemmacros_newman_tikz_front_tl +\tl_clear:N \l__chemmacros_newman_tikz_front_tl -\tl_new:N \l_chemmacros_newman_tikz_back_tl -\tl_clear:N \l_chemmacros_newman_tikz_back_tl +\tl_new:N \l__chemmacros_newman_tikz_back_tl +\tl_clear:N \l__chemmacros_newman_tikz_back_tl -\bool_new:N \l_chemmacros_newman_tikz_back_bool +\bool_new:N \l__chemmacros_newman_tikz_back_bool -\fp_new:N \l_chemmacros_newman_x_fp -\fp_new:N \l_chemmacros_newman_y_fp +\fp_new:N \l__chemmacros_newman_x_fp +\fp_new:N \l__chemmacros_newman_y_fp \keys_define:nn { chemmacros / newman } { - ring .tl_set:N = \l_chemmacros_newman_tikz_ring_tl , - atoms .tl_set:N = \l_chemmacros_newman_tikz_front_tl , + ring .tl_set:N = \l__chemmacros_newman_tikz_ring_tl , + atoms .tl_set:N = \l__chemmacros_newman_tikz_front_tl , back-atoms .code:n = { - \bool_set_true:N \l_chemmacros_newman_tikz_back_bool - \tl_set:Nn \l_chemmacros_newman_tikz_back_tl { #1 } + \bool_set_true:N \l__chemmacros_newman_tikz_back_bool + \tl_set:Nn \l__chemmacros_newman_tikz_back_tl { #1 } } , - scale .fp_set:N = \l_chemmacros_newman_scale_fp , + scale .fp_set:N = \l__chemmacros_newman_scale_fp , scale .default:n = 1 , - angle .fp_set:N = \l_chemmacros_newman_abs_angle_fp , + angle .fp_set:N = \l__chemmacros_newman_abs_angle_fp , angle .default:n = 0 } % \newman[<keyval>](<angle>){<1>,<2>,<3>,<4>,<5>,<6>} -\bool_if:NF \l_chemmacros_version_one_bool +\bool_if:NF \l__chemmacros_version_one_bool { \NewDocumentCommand \newman { o d() > { \SplitArgument { 5 } { , } } m } { @@ -2946,10 +2946,10 @@ \IfNoValueTF { #2 } { \fp_set_eq:NN - \l_chemmacros_newman_rel_angle_fp - \l_chemmacros_newman_abs_angle_fp + \l__chemmacros_newman_rel_angle_fp + \l__chemmacros_newman_abs_angle_fp } - { \fp_set:Nn \l_chemmacros_newman_rel_angle_fp { #2 } } + { \fp_set:Nn \l__chemmacros_newman_rel_angle_fp { #2 } } \chemmacros_newman_atoms:nnnnnn #3 \group_end: } @@ -2960,26 +2960,26 @@ { \chemmacros_tikz_picture:xn { - scale = \fp_to_tl:N \l_chemmacros_newman_scale_fp , + scale = \fp_to_tl:N \l__chemmacros_newman_scale_fp , chemmacros_newman_atom_front / .style = { inner~sep=0, outer~sep=0, - \tl_use:N \l_chemmacros_newman_tikz_front_tl + \tl_use:N \l__chemmacros_newman_tikz_front_tl }, chemmacros_newman_atom_back / .style = { inner~sep=0, outer~sep=0, - \bool_if:NTF \l_chemmacros_newman_tikz_back_bool - { \tl_use:N \l_chemmacros_newman_tikz_back_tl } - { \tl_use:N \l_chemmacros_newman_tikz_front_tl } + \bool_if:NTF \l__chemmacros_newman_tikz_back_bool + { \tl_use:N \l__chemmacros_newman_tikz_back_tl } + { \tl_use:N \l__chemmacros_newman_tikz_front_tl } } } { \chemmacros_tikz_draw:f - { \tl_use:N \l_chemmacros_newman_tikz_ring_tl } - (0,0) circle (\fp_to_dim:N \l_chemmacros_newman_scale_fp * 15) ; + { \tl_use:N \l__chemmacros_newman_tikz_ring_tl } + (0,0) circle (\fp_to_dim:N \l__chemmacros_newman_scale_fp * 15) ; \chemmacros_newman_back_node:nf { 30 } { \IfNoValueF { #5 } { #5 } } @@ -3005,17 +3005,17 @@ % #1: angle pi #2: radius \cs_new_nopar:Npn \chemmacros_newman_coordinates:nn #1#2 { - \fp_set:Nn \l_chemmacros_newman_tmp_angle_fp { #1 } - \fp_div:Nn \l_chemmacros_newman_tmp_angle_fp { 180 } - \fp_mul:Nn \l_chemmacros_newman_tmp_angle_fp { \fp_use:N \c_pi_fp } - \fp_zero:N \l_chemmacros_newman_x_fp - \fp_zero:N \l_chemmacros_newman_y_fp - \fp_cos:Nn \l_chemmacros_newman_x_fp - { \fp_use:N \l_chemmacros_newman_tmp_angle_fp } - \fp_sin:Nn \l_chemmacros_newman_y_fp - { \fp_use:N \l_chemmacros_newman_tmp_angle_fp } - \fp_mul:Nn \l_chemmacros_newman_x_fp { \fp_use:N #2 } - \fp_mul:Nn \l_chemmacros_newman_y_fp { \fp_use:N #2 } + \fp_set:Nn \l__chemmacros_newman_tmp_angle_fp { #1 } + \fp_div:Nn \l__chemmacros_newman_tmp_angle_fp { 180 } + \fp_mul:Nn \l__chemmacros_newman_tmp_angle_fp { \fp_use:N \c_pi_fp } + \fp_zero:N \l__chemmacros_newman_x_fp + \fp_zero:N \l__chemmacros_newman_y_fp + \fp_cos:Nn \l__chemmacros_newman_x_fp + { \fp_use:N \l__chemmacros_newman_tmp_angle_fp } + \fp_sin:Nn \l__chemmacros_newman_y_fp + { \fp_use:N \l__chemmacros_newman_tmp_angle_fp } + \fp_mul:Nn \l__chemmacros_newman_x_fp { \fp_use:N #2 } + \fp_mul:Nn \l__chemmacros_newman_y_fp { \fp_use:N #2 } } \cs_generate_variant:Nn \chemmacros_newman_coordinates:nn { on } @@ -3023,33 +3023,33 @@ \cs_new:Npn \chemmacros_newman_back_node:nn #1#2 { \group_begin: - \fp_add:Nn \l_chemmacros_newman_rel_angle_fp { #1 } + \fp_add:Nn \l__chemmacros_newman_rel_angle_fp { #1 } \chemmacros_newman_coordinates:on - { \fp_to_int:N \l_chemmacros_newman_rel_angle_fp } - { \l_chemmacros_newman_scale_fp } + { \fp_to_int:N \l__chemmacros_newman_rel_angle_fp } + { \l__chemmacros_newman_scale_fp } \chemmacros_tikz_draw:f - { \tl_use:N \l_chemmacros_newman_tikz_ring_tl } + { \tl_use:N \l__chemmacros_newman_tikz_ring_tl } ( - 15 * \fp_to_dim:N \l_chemmacros_newman_x_fp , - 15 * \fp_to_dim:N \l_chemmacros_newman_y_fp + 15 * \fp_to_dim:N \l__chemmacros_newman_x_fp , + 15 * \fp_to_dim:N \l__chemmacros_newman_y_fp ) -- ( - 30 * \fp_to_dim:N \l_chemmacros_newman_x_fp , - 30 * \fp_to_dim:N \l_chemmacros_newman_y_fp + 30 * \fp_to_dim:N \l__chemmacros_newman_x_fp , + 30 * \fp_to_dim:N \l__chemmacros_newman_y_fp ) ; \chemmacros_newman_coordinates:on - { \fp_to_int:N \l_chemmacros_newman_rel_angle_fp } - { \l_chemmacros_newman_scale_fp } + { \fp_to_int:N \l__chemmacros_newman_rel_angle_fp } + { \l__chemmacros_newman_scale_fp } \chemmacros_tikz_node:f { chemmacros_newman_atom_back, - anchor = -180 + \fp_to_int:N \l_chemmacros_newman_rel_angle_fp + anchor = -180 + \fp_to_int:N \l__chemmacros_newman_rel_angle_fp } at ( - 31 * \fp_to_dim:N \l_chemmacros_newman_x_fp , - 31 * \fp_to_dim:N \l_chemmacros_newman_y_fp + 31 * \fp_to_dim:N \l__chemmacros_newman_x_fp , + 31 * \fp_to_dim:N \l__chemmacros_newman_y_fp ) { #2 } ; \group_end: @@ -3059,21 +3059,21 @@ % place front nodes: \cs_new:Npn \chemmacros_newman_front_node:nn #1#2 { - \chemmacros_newman_coordinates:nn { #1 } { \l_chemmacros_newman_scale_fp } + \chemmacros_newman_coordinates:nn { #1 } { \l__chemmacros_newman_scale_fp } \chemmacros_tikz_draw:f - { \tl_use:N \l_chemmacros_newman_tikz_ring_tl } + { \tl_use:N \l__chemmacros_newman_tikz_ring_tl } (0,0) -- ++ ( - 30 * \fp_to_dim:N \l_chemmacros_newman_x_fp , - 30 * \fp_to_dim:N \l_chemmacros_newman_y_fp + 30 * \fp_to_dim:N \l__chemmacros_newman_x_fp , + 30 * \fp_to_dim:N \l__chemmacros_newman_y_fp ) ; - \chemmacros_newman_coordinates:nn { #1 } { \l_chemmacros_newman_scale_fp } + \chemmacros_newman_coordinates:nn { #1 } { \l__chemmacros_newman_scale_fp } \chemmacros_tikz_node:f { chemmacros_newman_atom_front, anchor = -180 + #1 } at ( - 31 * \fp_to_dim:N \l_chemmacros_newman_x_fp , - 31 * \fp_to_dim:N \l_chemmacros_newman_y_fp + 31 * \fp_to_dim:N \l__chemmacros_newman_x_fp , + 31 * \fp_to_dim:N \l__chemmacros_newman_y_fp ) { #2 } ; } @@ -3082,147 +3082,147 @@ % --------------------------------------------------------------------------- % % \orbital[<keyval>]{<type>} % variables: -\bool_new:N \l_chemmacros_orbital_type_s_bool -\bool_new:N \l_chemmacros_orbital_type_p_bool -\bool_new:N \l_chemmacros_orbital_type_sp_bool -\bool_new:N \l_chemmacros_orbital_type_sptwo_bool -\bool_new:N \l_chemmacros_orbital_type_spthree_bool +\bool_new:N \l__chemmacros_orbital_type_s_bool +\bool_new:N \l__chemmacros_orbital_type_p_bool +\bool_new:N \l__chemmacros_orbital_type_sp_bool +\bool_new:N \l__chemmacros_orbital_type_sptwo_bool +\bool_new:N \l__chemmacros_orbital_type_spthree_bool -\tl_new:N \l_chemmacros_orbital_s_color_tl -\tl_set:Nn \l_chemmacros_orbital_s_color_tl { black } -\tl_new:N \l_chemmacros_orbital_s_phase_color_tl +\tl_new:N \l__chemmacros_orbital_s_color_tl +\tl_set:Nn \l__chemmacros_orbital_s_color_tl { black } +\tl_new:N \l__chemmacros_orbital_s_phase_color_tl -\tl_new:N \l_chemmacros_orbital_p_color_tl -\tl_set:Nn \l_chemmacros_orbital_p_color_tl { black } -\tl_new:N \l_chemmacros_orbital_p_pphase_color_tl -\tl_new:N \l_chemmacros_orbital_p_mphase_color_tl +\tl_new:N \l__chemmacros_orbital_p_color_tl +\tl_set:Nn \l__chemmacros_orbital_p_color_tl { black } +\tl_new:N \l__chemmacros_orbital_p_pphase_color_tl +\tl_new:N \l__chemmacros_orbital_p_mphase_color_tl -\tl_new:N \l_chemmacros_orbital_sp_color_tl -\tl_set:Nn \l_chemmacros_orbital_sp_color_tl { black } -\tl_new:N \l_chemmacros_orbital_sp_pphase_color_tl -\tl_new:N \l_chemmacros_orbital_sp_mphase_color_tl +\tl_new:N \l__chemmacros_orbital_sp_color_tl +\tl_set:Nn \l__chemmacros_orbital_sp_color_tl { black } +\tl_new:N \l__chemmacros_orbital_sp_pphase_color_tl +\tl_new:N \l__chemmacros_orbital_sp_mphase_color_tl -\tl_new:N \l_chemmacros_orbital_sptwo_color_tl -\tl_set:Nn \l_chemmacros_orbital_sptwo_color_tl { black } -\tl_new:N \l_chemmacros_orbital_sptwo_pphase_color_tl -\tl_new:N \l_chemmacros_orbital_sptwo_mphase_color_tl +\tl_new:N \l__chemmacros_orbital_sptwo_color_tl +\tl_set:Nn \l__chemmacros_orbital_sptwo_color_tl { black } +\tl_new:N \l__chemmacros_orbital_sptwo_pphase_color_tl +\tl_new:N \l__chemmacros_orbital_sptwo_mphase_color_tl -\tl_new:N \l_chemmacros_orbital_spthree_color_tl -\tl_set:Nn \l_chemmacros_orbital_spthree_color_tl { black } -\tl_new:N \l_chemmacros_orbital_spthree_pphase_color_tl -\tl_new:N \l_chemmacros_orbital_spthree_mphase_color_tl +\tl_new:N \l__chemmacros_orbital_spthree_color_tl +\tl_set:Nn \l__chemmacros_orbital_spthree_color_tl { black } +\tl_new:N \l__chemmacros_orbital_spthree_pphase_color_tl +\tl_new:N \l__chemmacros_orbital_spthree_mphase_color_tl -\bool_new:N \l_chemmacros_orbital_s_phase_bool -\bool_set_true:N \l_chemmacros_orbital_s_phase_bool +\bool_new:N \l__chemmacros_orbital_s_phase_bool +\bool_set_true:N \l__chemmacros_orbital_s_phase_bool -\bool_new:N \l_chemmacros_orbital_p_phase_bool -\bool_set_true:N \l_chemmacros_orbital_p_phase_bool +\bool_new:N \l__chemmacros_orbital_p_phase_bool +\bool_set_true:N \l__chemmacros_orbital_p_phase_bool -\bool_new:N \l_chemmacros_orbital_sp_phase_bool -\bool_set_true:N \l_chemmacros_orbital_sp_phase_bool +\bool_new:N \l__chemmacros_orbital_sp_phase_bool +\bool_set_true:N \l__chemmacros_orbital_sp_phase_bool -\bool_new:N \l_chemmacros_orbital_sptwo_phase_bool -\bool_set_true:N \l_chemmacros_orbital_sptwo_phase_bool +\bool_new:N \l__chemmacros_orbital_sptwo_phase_bool +\bool_set_true:N \l__chemmacros_orbital_sptwo_phase_bool -\bool_new:N \l_chemmacros_orbital_spthree_phase_bool -\bool_set_true:N \l_chemmacros_orbital_spthree_phase_bool +\bool_new:N \l__chemmacros_orbital_spthree_phase_bool +\bool_set_true:N \l__chemmacros_orbital_spthree_phase_bool -\tl_new:N \l_chemmacros_orbital_s_scale_tl -\tl_set:Nn \l_chemmacros_orbital_s_scale_tl { 1 } +\tl_new:N \l__chemmacros_orbital_s_scale_tl +\tl_set:Nn \l__chemmacros_orbital_s_scale_tl { 1 } -\tl_new:N \l_chemmacros_orbital_p_scale_tl -\tl_set:Nn \l_chemmacros_orbital_p_scale_tl { 1 } +\tl_new:N \l__chemmacros_orbital_p_scale_tl +\tl_set:Nn \l__chemmacros_orbital_p_scale_tl { 1 } -\tl_new:N \l_chemmacros_orbital_sp_scale_tl -\tl_set:Nn \l_chemmacros_orbital_sp_scale_tl { 1 } +\tl_new:N \l__chemmacros_orbital_sp_scale_tl +\tl_set:Nn \l__chemmacros_orbital_sp_scale_tl { 1 } -\tl_new:N \l_chemmacros_orbital_sptwo_scale_tl -\tl_set:Nn \l_chemmacros_orbital_sptwo_scale_tl { 1 } +\tl_new:N \l__chemmacros_orbital_sptwo_scale_tl +\tl_set:Nn \l__chemmacros_orbital_sptwo_scale_tl { 1 } -\tl_new:N \l_chemmacros_orbital_spthree_scale_tl -\tl_set:Nn \l_chemmacros_orbital_spthree_scale_tl { 1 } +\tl_new:N \l__chemmacros_orbital_spthree_scale_tl +\tl_set:Nn \l__chemmacros_orbital_spthree_scale_tl { 1 } -\fp_new:N \l_chemmacros_orbital_angle_fp -\fp_set:Nn \l_chemmacros_orbital_angle_fp { 90 } +\fp_new:N \l__chemmacros_orbital_angle_fp +\fp_set:Nn \l__chemmacros_orbital_angle_fp { 90 } -\bool_new:N \l_chemmacros_orbital_p_half_bool -\bool_set_false:N \l_chemmacros_orbital_p_half_bool +\bool_new:N \l__chemmacros_orbital_p_half_bool +\bool_set_false:N \l__chemmacros_orbital_p_half_bool -\bool_new:N \l_chemmacros_orbital_overlay_bool -\bool_set_false:N \l_chemmacros_orbital_overlay_bool +\bool_new:N \l__chemmacros_orbital_overlay_bool +\bool_set_false:N \l__chemmacros_orbital_overlay_bool -\bool_new:N \l_chemmacros_orbital_opacity_bool -\bool_set_false:N \l_chemmacros_opacity_overlay_bool +\bool_new:N \l__chemmacros_orbital_opacity_bool +\bool_set_false:N \l__chemmacros_opacity_overlay_bool -\fp_new:N \l_chemmacros_orbital_opacity_fp -\fp_set:Nn \l_chemmacros_orbital_opacity_fp { 0.5 } +\fp_new:N \l__chemmacros_orbital_opacity_fp +\fp_set:Nn \l__chemmacros_orbital_opacity_fp { 0.5 } \cs_new_nopar:Npn \chemmacros_orbital_options: { \chemmacros_orbital_overlay: , \chemmacros_orbital_opacity: , inner~sep=0 , outer~sep=0 , line~width=.2pt , - rotate = { \fp_use:N \l_chemmacros_orbital_angle_fp - 90 } , + rotate = { \fp_use:N \l__chemmacros_orbital_angle_fp - 90 } , baseline , minimum~size = 0 } \cs_new_nopar:Npn \chemmacros_orbital_overlay: { - \bool_if:NT \l_chemmacros_orbital_overlay_bool { overlay } + \bool_if:NT \l__chemmacros_orbital_overlay_bool { overlay } } \cs_new_nopar:Npn \chemmacros_orbital_opacity: { - \bool_if:NT \l_chemmacros_orbital_opacity_bool - { opacity = { \fp_use:N \l_chemmacros_orbital_opacity_fp } } + \bool_if:NT \l__chemmacros_orbital_opacity_bool + { opacity = { \fp_use:N \l__chemmacros_orbital_opacity_fp } } } % --------------------------------------------------------------------------- % % s-orbitals \cs_new_nopar:Npn \chemmacros_orbital_type_s: { - \bool_set_true:N \l_chemmacros_orbital_type_s_bool - \bool_set_false:N \l_chemmacros_orbital_type_p_bool - \bool_set_false:N \l_chemmacros_orbital_type_sp_bool - \bool_set_false:N \l_chemmacros_orbital_type_sptwo_bool - \bool_set_false:N \l_chemmacros_orbital_type_spthree_bool + \bool_set_true:N \l__chemmacros_orbital_type_s_bool + \bool_set_false:N \l__chemmacros_orbital_type_p_bool + \bool_set_false:N \l__chemmacros_orbital_type_sp_bool + \bool_set_false:N \l__chemmacros_orbital_type_sptwo_bool + \bool_set_false:N \l__chemmacros_orbital_type_spthree_bool } \keys_define:nn { chemmacros / orbital / s } { phase .choice: , phase / + .code:n = - { \bool_set_true:N \l_chemmacros_orbital_s_phase_bool } , + { \bool_set_true:N \l__chemmacros_orbital_s_phase_bool } , phase / - .code:n = - { \bool_set_false:N \l_chemmacros_orbital_s_phase_bool } , - scale .tl_set:N = \l_chemmacros_orbital_s_scale_tl , - color .tl_set:N = \l_chemmacros_orbital_s_color_tl + { \bool_set_false:N \l__chemmacros_orbital_s_phase_bool } , + scale .tl_set:N = \l__chemmacros_orbital_s_scale_tl , + color .tl_set:N = \l__chemmacros_orbital_s_color_tl } \cs_new_nopar:Npn \chemmacros_orbital_s_draw:n #1 { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / s } { #1 } } - \bool_if:NTF \l_chemmacros_orbital_s_phase_bool + \bool_if:NTF \l__chemmacros_orbital_s_phase_bool { - \tl_if_in:NnTF \l_chemmacros_orbital_s_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_s_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_s_phase_color_tl - { \tl_use:N \l_chemmacros_orbital_s_color_tl } + \tl_set:Nn \l__chemmacros_orbital_s_phase_color_tl + { \tl_use:N \l__chemmacros_orbital_s_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_s_phase_color_tl - { \tl_use:N \l_chemmacros_orbital_s_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_s_phase_color_tl + { \tl_use:N \l__chemmacros_orbital_s_color_tl ! 90 } } } { - \tl_set:Nn \l_chemmacros_orbital_s_phase_color_tl + \tl_set:Nn \l__chemmacros_orbital_s_phase_color_tl { black ! 5 } } \chemmacros_tikz_picture:xn{ \chemmacros_orbital_options: } { \chemmacros_tikz_shade:f - { ball~color = \l_chemmacros_orbital_s_phase_color_tl } - (0,0) circle (\l_chemmacros_orbital_s_scale_tl * .6em) ; + { ball~color = \l__chemmacros_orbital_s_phase_color_tl } + (0,0) circle (\l__chemmacros_orbital_s_scale_tl * .6em) ; } } @@ -3230,92 +3230,92 @@ % p-orbitals \cs_new_nopar:Npn \chemmacros_orbital_type_p: { - \bool_set_false:N \l_chemmacros_orbital_type_s_bool - \bool_set_true:N \l_chemmacros_orbital_type_p_bool - \bool_set_false:N \l_chemmacros_orbital_type_sp_bool - \bool_set_false:N \l_chemmacros_orbital_type_sptwo_bool - \bool_set_false:N \l_chemmacros_orbital_type_spthree_bool + \bool_set_false:N \l__chemmacros_orbital_type_s_bool + \bool_set_true:N \l__chemmacros_orbital_type_p_bool + \bool_set_false:N \l__chemmacros_orbital_type_sp_bool + \bool_set_false:N \l__chemmacros_orbital_type_sptwo_bool + \bool_set_false:N \l__chemmacros_orbital_type_spthree_bool } \keys_define:nn { chemmacros / orbital / p } { phase .choice: , phase / + .code:n = - { \bool_set_true:N \l_chemmacros_orbital_p_phase_bool } , + { \bool_set_true:N \l__chemmacros_orbital_p_phase_bool } , phase / - .code:n = - { \bool_set_false:N \l_chemmacros_orbital_p_phase_bool } , - scale .tl_set:N = \l_chemmacros_orbital_p_scale_tl , - angle .fp_set:N = \l_chemmacros_orbital_angle_fp , - color .tl_set:N = \l_chemmacros_orbital_p_color_tl , - half .bool_set:N = \l_chemmacros_orbital_p_half_bool , + { \bool_set_false:N \l__chemmacros_orbital_p_phase_bool } , + scale .tl_set:N = \l__chemmacros_orbital_p_scale_tl , + angle .fp_set:N = \l__chemmacros_orbital_angle_fp , + color .tl_set:N = \l__chemmacros_orbital_p_color_tl , + half .bool_set:N = \l__chemmacros_orbital_p_half_bool , half .default:n = true } \cs_new_nopar:Npn \chemmacros_orbital_p_draw:n #1 { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / p } { #1 } } - \bool_if:NTF \l_chemmacros_orbital_p_phase_bool + \bool_if:NTF \l__chemmacros_orbital_p_phase_bool { - \tl_if_in:NnTF \l_chemmacros_orbital_p_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_p_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_p_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_p_color_tl } + \tl_set:Nn \l__chemmacros_orbital_p_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_p_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_p_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_p_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_p_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_p_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_p_mphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_p_mphase_color_tl { black ! 5 } } { - \tl_if_in:NnTF \l_chemmacros_orbital_p_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_p_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_p_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_p_color_tl } + \tl_set:Nn \l__chemmacros_orbital_p_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_p_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_p_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_p_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_p_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_p_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_p_pphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_p_pphase_color_tl { black ! 5 } } \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_p_pphase_color_tl , - ball~color = \l_chemmacros_orbital_p_pphase_color_tl + draw = \l__chemmacros_orbital_p_pphase_color_tl , + ball~color = \l__chemmacros_orbital_p_pphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_p_scale_tl * 2em , - \l_chemmacros_orbital_p_scale_tl * 2em + - \l__chemmacros_orbital_p_scale_tl * 2em , + \l__chemmacros_orbital_p_scale_tl * 2em ) and ++ ( - \l_chemmacros_orbital_p_scale_tl * 2em , - \l_chemmacros_orbital_p_scale_tl * 2em + \l__chemmacros_orbital_p_scale_tl * 2em , + \l__chemmacros_orbital_p_scale_tl * 2em ) .. (0,0); - \bool_if:NF \l_chemmacros_orbital_p_half_bool + \bool_if:NF \l__chemmacros_orbital_p_half_bool { \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_p_mphase_color_tl , - ball~color = \l_chemmacros_orbital_p_mphase_color_tl + draw = \l__chemmacros_orbital_p_mphase_color_tl , + ball~color = \l__chemmacros_orbital_p_mphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_p_scale_tl * 2em , - - \l_chemmacros_orbital_p_scale_tl * 2em + - \l__chemmacros_orbital_p_scale_tl * 2em , + - \l__chemmacros_orbital_p_scale_tl * 2em ) and ++ ( - \l_chemmacros_orbital_p_scale_tl * 2em , - - \l_chemmacros_orbital_p_scale_tl * 2em + \l__chemmacros_orbital_p_scale_tl * 2em , + - \l__chemmacros_orbital_p_scale_tl * 2em ) .. (0,0); } @@ -3326,88 +3326,88 @@ % sp-orbitals \cs_new_nopar:Npn \chemmacros_orbital_type_sp: { - \bool_set_false:N \l_chemmacros_orbital_type_s_bool - \bool_set_false:N \l_chemmacros_orbital_type_p_bool - \bool_set_true:N \l_chemmacros_orbital_type_sp_bool - \bool_set_false:N \l_chemmacros_orbital_type_sptwo_bool - \bool_set_false:N \l_chemmacros_orbital_type_spthree_bool + \bool_set_false:N \l__chemmacros_orbital_type_s_bool + \bool_set_false:N \l__chemmacros_orbital_type_p_bool + \bool_set_true:N \l__chemmacros_orbital_type_sp_bool + \bool_set_false:N \l__chemmacros_orbital_type_sptwo_bool + \bool_set_false:N \l__chemmacros_orbital_type_spthree_bool } \keys_define:nn { chemmacros / orbital / sp } { phase .choice: , phase / + .code:n = - { \bool_set_true:N \l_chemmacros_orbital_sp_phase_bool } , + { \bool_set_true:N \l__chemmacros_orbital_sp_phase_bool } , phase / - .code:n = - { \bool_set_false:N \l_chemmacros_orbital_sp_phase_bool } , - scale .tl_set:N = \l_chemmacros_orbital_sp_scale_tl , - angle .fp_set:N = \l_chemmacros_orbital_angle_fp , - color .tl_set:N = \l_chemmacros_orbital_sp_color_tl + { \bool_set_false:N \l__chemmacros_orbital_sp_phase_bool } , + scale .tl_set:N = \l__chemmacros_orbital_sp_scale_tl , + angle .fp_set:N = \l__chemmacros_orbital_angle_fp , + color .tl_set:N = \l__chemmacros_orbital_sp_color_tl } \cs_new_nopar:Npn \chemmacros_orbital_sp_draw:n #1 { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp } { #1 } } - \bool_if:NTF \l_chemmacros_orbital_sp_phase_bool + \bool_if:NTF \l__chemmacros_orbital_sp_phase_bool { - \tl_if_in:NnTF \l_chemmacros_orbital_sp_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_sp_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_sp_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sp_color_tl } + \tl_set:Nn \l__chemmacros_orbital_sp_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sp_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_sp_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sp_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_sp_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sp_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_sp_mphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_sp_mphase_color_tl { black ! 5 } } { - \tl_if_in:NnTF \l_chemmacros_orbital_sp_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_sp_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_sp_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sp_color_tl } + \tl_set:Nn \l__chemmacros_orbital_sp_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sp_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_sp_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sp_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_sp_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sp_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_sp_pphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_sp_pphase_color_tl { black ! 5 } } \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_sp_pphase_color_tl , - ball~color = \l_chemmacros_orbital_sp_pphase_color_tl + draw = \l__chemmacros_orbital_sp_pphase_color_tl , + ball~color = \l__chemmacros_orbital_sp_pphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_sp_scale_tl * 2em , - \l_chemmacros_orbital_sp_scale_tl * 2em + - \l__chemmacros_orbital_sp_scale_tl * 2em , + \l__chemmacros_orbital_sp_scale_tl * 2em ) and ++ ( - \l_chemmacros_orbital_sp_scale_tl * 2em , - \l_chemmacros_orbital_sp_scale_tl * 2em + \l__chemmacros_orbital_sp_scale_tl * 2em , + \l__chemmacros_orbital_sp_scale_tl * 2em ) .. (0,0); \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_sp_mphase_color_tl , - ball~color = \l_chemmacros_orbital_sp_mphase_color_tl + draw = \l__chemmacros_orbital_sp_mphase_color_tl , + ball~color = \l__chemmacros_orbital_sp_mphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_sp_scale_tl * .6em , - - \l_chemmacros_orbital_sp_scale_tl * .6em + - \l__chemmacros_orbital_sp_scale_tl * .6em , + - \l__chemmacros_orbital_sp_scale_tl * .6em ) and ++ ( - \l_chemmacros_orbital_sp_scale_tl * .6em , - - \l_chemmacros_orbital_sp_scale_tl * .6em + \l__chemmacros_orbital_sp_scale_tl * .6em , + - \l__chemmacros_orbital_sp_scale_tl * .6em ) .. (0,0); } @@ -3417,88 +3417,88 @@ % sp2-orbitals \cs_new_nopar:Npn \chemmacros_orbital_type_sptwo: { - \bool_set_false:N \l_chemmacros_orbital_type_s_bool - \bool_set_false:N \l_chemmacros_orbital_type_p_bool - \bool_set_false:N \l_chemmacros_orbital_type_sp_bool - \bool_set_true:N \l_chemmacros_orbital_type_sptwo_bool - \bool_set_false:N \l_chemmacros_orbital_type_spthree_bool + \bool_set_false:N \l__chemmacros_orbital_type_s_bool + \bool_set_false:N \l__chemmacros_orbital_type_p_bool + \bool_set_false:N \l__chemmacros_orbital_type_sp_bool + \bool_set_true:N \l__chemmacros_orbital_type_sptwo_bool + \bool_set_false:N \l__chemmacros_orbital_type_spthree_bool } \keys_define:nn { chemmacros / orbital / sp2 } { phase .choice: , phase / + .code:n = - { \bool_set_true:N \l_chemmacros_orbital_sptwo_phase_bool } , + { \bool_set_true:N \l__chemmacros_orbital_sptwo_phase_bool } , phase / - .code:n = - { \bool_set_false:N \l_chemmacros_orbital_sptwo_phase_bool } , - scale .tl_set:N = \l_chemmacros_orbital_sptwo_scale_tl , - angle .fp_set:N = \l_chemmacros_orbital_angle_fp , - color .tl_set:N = \l_chemmacros_orbital_sptwo_color_tl + { \bool_set_false:N \l__chemmacros_orbital_sptwo_phase_bool } , + scale .tl_set:N = \l__chemmacros_orbital_sptwo_scale_tl , + angle .fp_set:N = \l__chemmacros_orbital_angle_fp , + color .tl_set:N = \l__chemmacros_orbital_sptwo_color_tl } \cs_new_nopar:Npn \chemmacros_orbital_sptwo_draw:n #1 { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp2 } { #1 } } - \bool_if:NTF \l_chemmacros_orbital_sptwo_phase_bool + \bool_if:NTF \l__chemmacros_orbital_sptwo_phase_bool { - \tl_if_in:NnTF \l_chemmacros_orbital_sptwo_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_sptwo_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_sptwo_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sptwo_color_tl } + \tl_set:Nn \l__chemmacros_orbital_sptwo_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sptwo_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_sptwo_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sptwo_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_sptwo_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sptwo_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_sptwo_mphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_sptwo_mphase_color_tl { black ! 5 } } { - \tl_if_in:NnTF \l_chemmacros_orbital_sptwo_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_sptwo_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_sptwo_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sptwo_color_tl } + \tl_set:Nn \l__chemmacros_orbital_sptwo_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sptwo_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_sptwo_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_sptwo_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_sptwo_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_sptwo_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_sptwo_pphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_sptwo_pphase_color_tl { black ! 5 } } \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_sptwo_pphase_color_tl , - ball~color = \l_chemmacros_orbital_sptwo_pphase_color_tl + draw = \l__chemmacros_orbital_sptwo_pphase_color_tl , + ball~color = \l__chemmacros_orbital_sptwo_pphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_sptwo_scale_tl * 2em , - \l_chemmacros_orbital_sptwo_scale_tl * 2em + - \l__chemmacros_orbital_sptwo_scale_tl * 2em , + \l__chemmacros_orbital_sptwo_scale_tl * 2em ) and ++ ( - \l_chemmacros_orbital_sptwo_scale_tl * 2em , - \l_chemmacros_orbital_sptwo_scale_tl * 2em + \l__chemmacros_orbital_sptwo_scale_tl * 2em , + \l__chemmacros_orbital_sptwo_scale_tl * 2em ) .. (0,0); \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_sptwo_mphase_color_tl , - ball~color = \l_chemmacros_orbital_sptwo_mphase_color_tl + draw = \l__chemmacros_orbital_sptwo_mphase_color_tl , + ball~color = \l__chemmacros_orbital_sptwo_mphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_sptwo_scale_tl * .8em , - - \l_chemmacros_orbital_sptwo_scale_tl * .8em + - \l__chemmacros_orbital_sptwo_scale_tl * .8em , + - \l__chemmacros_orbital_sptwo_scale_tl * .8em ) and ++ ( - \l_chemmacros_orbital_sptwo_scale_tl * .8em , - - \l_chemmacros_orbital_sptwo_scale_tl * .8em + \l__chemmacros_orbital_sptwo_scale_tl * .8em , + - \l__chemmacros_orbital_sptwo_scale_tl * .8em ) .. (0,0); } @@ -3508,88 +3508,88 @@ % sp3-orbitals \cs_new_nopar:Npn \chemmacros_orbital_type_spthree: { - \bool_set_false:N \l_chemmacros_orbital_type_s_bool - \bool_set_false:N \l_chemmacros_orbital_type_p_bool - \bool_set_false:N \l_chemmacros_orbital_type_sp_bool - \bool_set_false:N \l_chemmacros_orbital_type_sptwo_bool - \bool_set_true:N \l_chemmacros_orbital_type_spthree_bool + \bool_set_false:N \l__chemmacros_orbital_type_s_bool + \bool_set_false:N \l__chemmacros_orbital_type_p_bool + \bool_set_false:N \l__chemmacros_orbital_type_sp_bool + \bool_set_false:N \l__chemmacros_orbital_type_sptwo_bool + \bool_set_true:N \l__chemmacros_orbital_type_spthree_bool } \keys_define:nn { chemmacros / orbital / sp3 } { phase .choice: , phase / + .code:n = - { \bool_set_true:N \l_chemmacros_orbital_spthree_phase_bool } , + { \bool_set_true:N \l__chemmacros_orbital_spthree_phase_bool } , phase / - .code:n = - { \bool_set_false:N \l_chemmacros_orbital_spthree_phase_bool } , - scale .tl_set:N = \l_chemmacros_orbital_spthree_scale_tl , - angle .fp_set:N = \l_chemmacros_orbital_angle_fp , - color .tl_set:N = \l_chemmacros_orbital_spthree_color_tl + { \bool_set_false:N \l__chemmacros_orbital_spthree_phase_bool } , + scale .tl_set:N = \l__chemmacros_orbital_spthree_scale_tl , + angle .fp_set:N = \l__chemmacros_orbital_angle_fp , + color .tl_set:N = \l__chemmacros_orbital_spthree_color_tl } \cs_new_nopar:Npn \chemmacros_orbital_spthree_draw:n #1 { \IfNoValueF { #1 } { \keys_set:nn { chemmacros / orbital / sp3 } { #1 } } - \bool_if:NTF \l_chemmacros_orbital_spthree_phase_bool + \bool_if:NTF \l__chemmacros_orbital_spthree_phase_bool { - \tl_if_in:NnTF \l_chemmacros_orbital_spthree_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_spthree_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_spthree_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_spthree_color_tl } + \tl_set:Nn \l__chemmacros_orbital_spthree_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_spthree_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_spthree_pphase_color_tl - { \tl_use:N \l_chemmacros_orbital_spthree_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_spthree_pphase_color_tl + { \tl_use:N \l__chemmacros_orbital_spthree_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_spthree_mphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_spthree_mphase_color_tl { black ! 5 } } { - \tl_if_in:NnTF \l_chemmacros_orbital_spthree_color_tl { ! } + \tl_if_in:NnTF \l__chemmacros_orbital_spthree_color_tl { ! } { - \tl_set:Nn \l_chemmacros_orbital_spthree_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_spthree_color_tl } + \tl_set:Nn \l__chemmacros_orbital_spthree_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_spthree_color_tl } } { - \tl_set:Nn \l_chemmacros_orbital_spthree_mphase_color_tl - { \tl_use:N \l_chemmacros_orbital_spthree_color_tl ! 90 } + \tl_set:Nn \l__chemmacros_orbital_spthree_mphase_color_tl + { \tl_use:N \l__chemmacros_orbital_spthree_color_tl ! 90 } } - \tl_set:Nn \l_chemmacros_orbital_spthree_pphase_color_tl + \tl_set:Nn \l__chemmacros_orbital_spthree_pphase_color_tl { black ! 5 } } \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: } { \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_spthree_pphase_color_tl , - ball~color = \l_chemmacros_orbital_spthree_pphase_color_tl + draw = \l__chemmacros_orbital_spthree_pphase_color_tl , + ball~color = \l__chemmacros_orbital_spthree_pphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_spthree_scale_tl * 2em , - \l_chemmacros_orbital_spthree_scale_tl * 2em + - \l__chemmacros_orbital_spthree_scale_tl * 2em , + \l__chemmacros_orbital_spthree_scale_tl * 2em ) and ++ ( - \l_chemmacros_orbital_spthree_scale_tl * 2em , - \l_chemmacros_orbital_spthree_scale_tl * 2em + \l__chemmacros_orbital_spthree_scale_tl * 2em , + \l__chemmacros_orbital_spthree_scale_tl * 2em ) .. (0,0); \chemmacros_tikz_shadedraw:f { - draw = \l_chemmacros_orbital_spthree_mphase_color_tl , - ball~color = \l_chemmacros_orbital_spthree_mphase_color_tl + draw = \l__chemmacros_orbital_spthree_mphase_color_tl , + ball~color = \l__chemmacros_orbital_spthree_mphase_color_tl } (0,0) .. controls ++ ( - - \l_chemmacros_orbital_spthree_scale_tl * 1em , - - \l_chemmacros_orbital_spthree_scale_tl * 1em + - \l__chemmacros_orbital_spthree_scale_tl * 1em , + - \l__chemmacros_orbital_spthree_scale_tl * 1em ) and ++ ( - \l_chemmacros_orbital_spthree_scale_tl * 1em , - - \l_chemmacros_orbital_spthree_scale_tl * 1em + \l__chemmacros_orbital_spthree_scale_tl * 1em , + - \l__chemmacros_orbital_spthree_scale_tl * 1em ) .. (0,0); } @@ -3599,14 +3599,14 @@ % main command \keys_define:nn { chemmacros / orbital } { - overlay .bool_set:N = \l_chemmacros_orbital_overlay_bool , + overlay .bool_set:N = \l__chemmacros_orbital_overlay_bool , overlay .default:n = true , opacity .code:n = { \fp_compare:nTF { #1 = 1 } - { \bool_set_false:N \l_chemmacros_orbital_opacity_bool } - { \bool_set_true:N \l_chemmacros_orbital_opacity_bool } - \fp_set:Nn \l_chemmacros_orbital_opacity_fp { #1 } + { \bool_set_false:N \l__chemmacros_orbital_opacity_bool } + { \bool_set_true:N \l__chemmacros_orbital_opacity_bool } + \fp_set:Nn \l__chemmacros_orbital_opacity_fp { #1 } } } @@ -3623,33 +3623,33 @@ { \group_begin: \keys_set:nn { chemmacros / orbital / type } { #2 } - \bool_if:NT \l_chemmacros_orbital_type_s_bool + \bool_if:NT \l__chemmacros_orbital_type_s_bool { \chemmacros_orbital_s_draw:n { #1 } } - \bool_if:NT \l_chemmacros_orbital_type_p_bool + \bool_if:NT \l__chemmacros_orbital_type_p_bool { \chemmacros_orbital_p_draw:n { #1 } } - \bool_if:NT \l_chemmacros_orbital_type_sp_bool + \bool_if:NT \l__chemmacros_orbital_type_sp_bool { \chemmacros_orbital_sp_draw:n { #1 } } - \bool_if:NT \l_chemmacros_orbital_type_sptwo_bool + \bool_if:NT \l__chemmacros_orbital_type_sptwo_bool { \chemmacros_orbital_sptwo_draw:n { #1 } } - \bool_if:NT \l_chemmacros_orbital_type_spthree_bool + \bool_if:NT \l__chemmacros_orbital_type_spthree_bool { \chemmacros_orbital_spthree_draw:n { #1 } } \group_end: } % --------------------------------------------------------------------------- % % arrow tips for electron movement -\dim_new:N \l_chemmacros_el_length_dim +\dim_new:N \l__chemmacros_el_length_dim % full tip for pairs \pgfarrowsdeclare { el } { el } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } - \pgfarrowsleftextend { -\l_chemmacros_el_length_dim } + \pgfarrowsleftextend { -\l__chemmacros_el_length_dim } \pgfarrowsrightextend { .5\pgflinewidth } } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } \pgfsetdash {} { 0pt } \pgfsetroundjoin @@ -3658,16 +3658,16 @@ \pgfpathlineto { \pgfpoint - { -\l_chemmacros_el_length_dim } - { .3\l_chemmacros_el_length_dim } + { -\l__chemmacros_el_length_dim } + { .3\l__chemmacros_el_length_dim } } \pgfpathlineto - { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } } + { \pgfpoint { -.5\l__chemmacros_el_length_dim } { 0pt } } \pgfpathlineto { \pgfpoint - { -\l_chemmacros_el_length_dim } - { -.3\l_chemmacros_el_length_dim } + { -\l__chemmacros_el_length_dim } + { -.3\l__chemmacros_el_length_dim } } \pgfpathlineto { \pgfpoint { 0pt } { 0pt } } \pgfusepathqfillstroke @@ -3676,13 +3676,13 @@ % half tip on the left \pgfarrowsdeclare { left~el } { left~el } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } - \pgfarrowsleftextend { -\l_chemmacros_el_length_dim } + \pgfarrowsleftextend { -\l__chemmacros_el_length_dim } \pgfarrowsrightextend { .5\pgflinewidth } } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } \pgfsetdash {} { 0pt } \pgfsetroundjoin @@ -3691,10 +3691,10 @@ \pgfpathlineto { \pgfpoint - { -\l_chemmacros_el_length_dim } - { .3\l_chemmacros_el_length_dim } + { -\l__chemmacros_el_length_dim } + { .3\l__chemmacros_el_length_dim } } - \pgfpathlineto { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } } + \pgfpathlineto { \pgfpoint { -.5\l__chemmacros_el_length_dim } { 0pt } } \pgfpathlineto { \pgfpoint { 0pt } { 0pt } } \pgfusepathqfillstroke } @@ -3702,13 +3702,13 @@ % half tip in the right \pgfarrowsdeclare { right~el } { right~el } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } - \pgfarrowsleftextend { -\l_chemmacros_el_length_dim } + \pgfarrowsleftextend { -\l__chemmacros_el_length_dim } \pgfarrowsrightextend { .5\pgflinewidth } } { - \dim_set:Nn \l_chemmacros_el_length_dim + \dim_set:Nn \l__chemmacros_el_length_dim { 2.5pt + 2.5\pgflinewidth } \pgfsetdash {} { 0pt } \pgfsetroundjoin @@ -3717,10 +3717,10 @@ \pgfpathlineto { \pgfpoint - { -\l_chemmacros_el_length_dim } - { -.3\l_chemmacros_el_length_dim } + { -\l__chemmacros_el_length_dim } + { -.3\l__chemmacros_el_length_dim } } - \pgfpathlineto { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } } + \pgfpathlineto { \pgfpoint { -.5\l__chemmacros_el_length_dim } { 0pt } } \pgfpathlineto { \pgfpoint { 0pt } { 0pt } } \pgfusepathqfillstroke } @@ -3737,7 +3737,7 @@ % --------------------------------------------------------------------------- % % load old definitions: -\bool_if:NT \l_chemmacros_version_one_bool +\bool_if:NT \l__chemmacros_version_one_bool { \input { chemmacros-version1 . cfg } } @@ -3886,9 +3886,12 @@ Version history - radical point thicker, new options `radical-style' and `radical-radius' 2012/10/03 - version 3.4a - bug fix in coupling constant \J +2013/01/04 - version 3.4b - bug fix in the sub- and superscript handling % --------------------------------------------------------------------------- % % TODO: - ox-option xfrac vs math? - drop option `bpchem' -- add d-orbitals
\ No newline at end of file +- add d-orbitals +- add kpfonts to `greek' option so \Chemalpha and kin use \alphaup ... of kpfonts + package
\ No newline at end of file |