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diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.orbital.code.tex b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.orbital.code.tex new file mode 100644 index 00000000000..e7f0eac2f56 --- /dev/null +++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.module.orbital.code.tex @@ -0,0 +1,570 @@ +% -------------------------------------------------------------------------- +% +% the CHEMMACROS package -- module: `orbital' +% +% -------------------------------------------------------------------------- +% Clemens Niederberger +% -------------------------------------------------------------------------- +% https://github.org/cgnieder/chemmacros/ +% contact@mychemistry.eu +% -------------------------------------------------------------------------- +% If you have any ideas, questions, suggestions or bugs to report, please +% feel free to contact me. +% -------------------------------------------------------------------------- +% Copyright 2011-2015 Clemens Niederberger +% +% This work may be distributed and/or modified under the +% conditions of the LaTeX Project Public License, either version 1.3 +% of this license or (at your option) any later version. +% The latest version of this license is in +% http://www.latex-project.org/lppl.txt +% and version 1.3 or later is part of all distributions of LaTeX +% version 2005/12/01 or later. +% +% This work has the LPPL maintenance status `maintained'. +% +% The Current Maintainer of this work is Clemens Niederberger. +% -------------------------------------------------------------------------- +\ChemModule{orbital}{2015/07/14 drawing orbital shapes} + +\chemmacros_load_module:n {tikz} + +% \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_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_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_spthree_phase_bool +\bool_set_true:N \l__chemmacros_orbital_spthree_phase_bool +\bool_new:N \l__chemmacros_orbital_p_half_bool +\bool_new:N \l__chemmacros_orbital_overlay_bool +\bool_new:N \l__chemmacros_orbital_opacity_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_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_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_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_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_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_opacity_fp +\fp_set:Nn \l__chemmacros_orbital_opacity_fp { 0.5 } + +\cs_new: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 } , + baseline , + minimum~size = 0 + } + +\cs_new:Npn \__chemmacros_orbital_overlay: + { \bool_if:NT \l__chemmacros_orbital_overlay_bool { overlay } } + +\cs_new:Npn \__chemmacros_orbital_opacity: + { + \bool_if:NT \l__chemmacros_orbital_opacity_bool + { opacity = { \fp_use:N \l__chemmacros_orbital_opacity_fp } } + } + +% -------------------------------------------------------------------------- +% s-orbitals +\cs_new_protected: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 + } + +\keys_define:nn { chemmacros / orbital / s } + { + phase .choice: , + phase / + .code:n = + { \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 + } + +\cs_new_protected:Npn \__chemmacros_orbital_s_draw:n #1 + { + \keys_set:nn { chemmacros / orbital / s } { #1 } + \bool_if:NTF \l__chemmacros_orbital_s_phase_bool + { + \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 ! 90 } + } + } + { + \tl_set:Nn \l__chemmacros_orbital_s_phase_color_tl + { black ! 5 } + } + \chemmacros_tikz_picture:xn{ \__chemmacros_orbital_options: } + { + \chemmacros_tikz_shade:x + { ball~color = \exp_not:V \l__chemmacros_orbital_s_phase_color_tl } + (0pt,0pt) circle (\exp_not:V \l__chemmacros_orbital_s_scale_tl * .6em) ; + } + } + +% -------------------------------------------------------------------------- +% p-orbitals +\cs_new_protected: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 + } + +\keys_define:nn { chemmacros / orbital / p } + { + phase .choice: , + phase / + .code:n = + { \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 , + half .default:n = true + } + +\cs_new_protected:Npn \__chemmacros_orbital_p_draw:n #1 + { + \keys_set:nn { chemmacros / orbital / p } { #1 } + \bool_if:NTF \l__chemmacros_orbital_p_phase_bool + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_p_mphase_color_tl + { black ! 5 } + + } + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_p_pphase_color_tl + { black ! 5 } + } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } + { + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_p_pphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_p_pphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + \bool_if:NF \l__chemmacros_orbital_p_half_bool + { + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_p_mphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_p_mphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + } + } + } + +% -------------------------------------------------------------------------- +% sp-orbitals +\cs_new_protected: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 + } + +\keys_define:nn { chemmacros / orbital / sp } + { + phase .choice: , + phase / + .code:n = + { \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 + } + +\cs_new_protected:Npn \__chemmacros_orbital_sp_draw:n #1 + { + \keys_set:nn { chemmacros / orbital / sp } { #1 } + \bool_if:NTF \l__chemmacros_orbital_sp_phase_bool + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_sp_mphase_color_tl + { black ! 5 } + + } + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_sp_pphase_color_tl + { black ! 5 } + } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } + { + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_sp_pphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_sp_pphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_sp_mphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_sp_mphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + } + } + +% -------------------------------------------------------------------------- +% sp2-orbitals +\cs_new_protected: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 + } + +\keys_define:nn { chemmacros / orbital / sp2 } + { + phase .choice: , + phase / + .code:n = + { \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 + } + +\cs_new_protected:Npn \__chemmacros_orbital_sptwo_draw:n #1 + { + \keys_set:nn { chemmacros / orbital / sp2 } { #1 } + \bool_if:NTF \l__chemmacros_orbital_sptwo_phase_bool + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_sptwo_mphase_color_tl + { black ! 5 } + + } + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_sptwo_pphase_color_tl + { black ! 5 } + } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } + { + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_sptwo_pphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_sptwo_pphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_sptwo_mphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_sptwo_mphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + } + } + +% -------------------------------------------------------------------------- +% sp3-orbitals +\cs_new_protected: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 + } + +\keys_define:nn { chemmacros / orbital / sp3 } + { + phase .choice: , + phase / + .code:n = + { \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 + } + +\cs_new_protected:Npn \__chemmacros_orbital_spthree_draw:n #1 + { + \keys_set:nn { chemmacros / orbital / sp3 } { #1 } + \bool_if:NTF \l__chemmacros_orbital_spthree_phase_bool + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_spthree_mphase_color_tl + { black ! 5 } + + } + { + \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 ! 90 } + } + \tl_set:Nn \l__chemmacros_orbital_spthree_pphase_color_tl + { black ! 5 } + } + \chemmacros_tikz_picture:xn { \__chemmacros_orbital_options: } + { + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_spthree_pphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_spthree_pphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + \chemmacros_tikz_shadedraw:x + { + draw = \exp_not:V \l__chemmacros_orbital_spthree_mphase_color_tl , + ball~color = \exp_not:V \l__chemmacros_orbital_spthree_mphase_color_tl + } + (0pt,0pt) .. controls ++ + ( + - \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 + ) + .. (0pt,0pt); + } + } + +% -------------------------------------------------------------------------- +% main command +\keys_define:nn { chemmacros / orbital } + { + 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 } + } + } + +\keys_define:nn { chemmacros / orbital / type } + { + s .code:n = { \__chemmacros_orbital_type_s: } , + p .code:n = { \__chemmacros_orbital_type_p: } , + sp .code:n = { \__chemmacros_orbital_type_sp: } , + sp2 .code:n = { \__chemmacros_orbital_type_sptwo: } , + sp3 .code:n = { \__chemmacros_orbital_type_spthree: } + } + +\cs_new_protected:Npn \chemmacros_orbital:n #1 + { + \bool_if:NT \l__chemmacros_orbital_type_s_bool + { \__chemmacros_orbital_s_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_p_bool + { \__chemmacros_orbital_p_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_sp_bool + { \__chemmacros_orbital_sp_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_sptwo_bool + { \__chemmacros_orbital_sptwo_draw:n { #1 } } + \bool_if:NT \l__chemmacros_orbital_type_spthree_bool + { \__chemmacros_orbital_spthree_draw:n { #1 } } + } + +\NewDocumentCommand \orbital { o m } + { + \group_begin: + \keys_set:nn { chemmacros / orbital / type } { #2 } + \IfNoValueTF { #1 } + { \chemmacros_orbital:n { } } + { \chemmacros_orbital:n { #1 } } + \group_end: + } |