diff options
author | Karl Berry <karl@freefriends.org> | 2014-01-29 22:39:05 +0000 |
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committer | Karl Berry <karl@freefriends.org> | 2014-01-29 22:39:05 +0000 |
commit | 6d56f935e68d3edbe7afc8613d516999443019fb (patch) | |
tree | 48ca7bbde8aba3a5440b7004a9b558ec16d0f6ad /Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty | |
parent | 8e2a55a7bd017271f6e865ccf545c1c810e75c7d (diff) |
chemmacros (29jan14)
git-svn-id: svn://tug.org/texlive/trunk@32817 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 | 148 |
1 files changed, 114 insertions, 34 deletions
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty index fd13bbf4440..5c95c03bf23 100644 --- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty +++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty @@ -26,8 +26,8 @@ % - The Current Maintainer of this work is Clemens Niederberger. % -------------------------------------------------------------------------- \RequirePackage{ expl3 , xparse , l3keys2e } -\def\chemmacros@version{4.3} -\def\chemmacros@date{2014/01/24} +\def\chemmacros@version{4.4} +\def\chemmacros@date{2014/01/29} \ProvidesExplPackage {chemmacros} @@ -836,7 +836,7 @@ { \mbox { \l__chemmacros_partial_charge_format_tl - \( \delta \chemmacros_minus: \) + \c_math_toggle_token \delta \chemmacros_minus: \c_math_toggle_token } \chemmacros_xspace: } @@ -844,7 +844,7 @@ { \mbox { \l__chemmacros_partial_charge_format_tl - \( \delta \chemmacros_plus: \) + \c_math_toggle_token \delta \chemmacros_plus: \c_math_toggle_token } \chemmacros_xspace: } @@ -852,7 +852,7 @@ { \mbox { \l__chemmacros_partial_charge_format_tl - \( \delta \chemmacros_formal_minus: \) + \c_math_toggle_token \delta \chemmacros_formal_minus: \c_math_toggle_token } \chemmacros_xspace: } @@ -860,7 +860,7 @@ { \mbox { \l__chemmacros_partial_charge_format_tl - \( \delta \chemmacros_formal_plus: \) + \c_math_toggle_token \delta \chemmacros_formal_plus: \c_math_toggle_token } \chemmacros_xspace: } @@ -1544,43 +1544,75 @@ type / .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {N} } \) } + { + \c_math_toggle_token + \c_math_subscript_token { \text {N} } + \c_math_toggle_token + } { } } , type / 1 .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {N} } \) 1 } + { + \c_math_toggle_token + \c_math_subscript_token { \text {N} } + \c_math_toggle_token + 1 + } { } } , type / 2 .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {N} } \) 2 } + { + \c_math_toggle_token + \c_math_subscript_token { \text {N} } + \c_math_toggle_token + 2 + } { } } , type / se .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {E} } \) } + { + \c_math_toggle_token + \c_math_subscript_token { \text {E} } + \c_math_toggle_token + } { } } , type / 1e .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {E} } \) 1 } + { + \c_math_toggle_token + \c_math_subscript_token { \text {E} } + \c_math_toggle_token + 1 + } { } } , type / 2e .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {E} } \) 2 } + { + \c_math_toggle_token + \c_math_subscript_token { \text {E} } + \c_math_toggle_token + 2 + } { } } , type / ar .code:n = { \__chemmacros_set_mech:nnn { S } - { \( \c_math_subscript_token { \text {E} } \) } + { + \c_math_toggle_token + \c_math_subscript_token { \text {E} } + \c_math_toggle_token + } { Ar - } } , type / e .code:n = @@ -1592,7 +1624,12 @@ type / cb .code:n = { \__chemmacros_set_mech:nnn { E } - { 1 \( \c_math_subscript_token { \text {cb} } \) } + { + 1 + \c_math_toggle_token + \c_math_subscript_token { \text {cb} } + \c_math_toggle_token + } { } } , type .default:n = @@ -1681,11 +1718,17 @@ \cs_new_protected: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 + { \c_math_toggle_token + \c_math_toggle_token } + } \fp_compare:nNnT { #1 } = { 0 } - { \bool_if:NT \l__chemmacros_ox_explicit_sign_bool { $\pm$ } } + { + \bool_if:NT \l__chemmacros_ox_explicit_sign_bool + { \c_math_toggle_token \pm \c_math_toggle_token } + } \fp_compare:nNnT { #1 } < { 0 } - { $-$ } + { \c_math_toggle_token - \c_math_toggle_token } } \cs_new_protected:Npn \__chemmacros_ox_value:n #1 @@ -1696,8 +1739,16 @@ { \__chemmacros_fp_to_Roman:V \l__chemmacros_ox_number_fp } { \bool_if:NTF \l__chemmacros_ox_integer_bool - { $ \__chemmacros_fp_to_arabic:V \l__chemmacros_ox_number_fp $ } - { $ \__chemmacros_fp_show:V \l__chemmacros_ox_number_fp $ } + { + \c_math_toggle_token + \__chemmacros_fp_to_arabic:V \l__chemmacros_ox_number_fp + \c_math_toggle_token + } + { + \c_math_toggle_token + \__chemmacros_fp_show:V \l__chemmacros_ox_number_fp + \c_math_toggle_token + } } } @@ -1768,7 +1819,10 @@ \chemmacros_text:n { #2 - $ ^ { \text { \tiny \__chemmacros_ox_process_number:n { #1 } } } $ + \c_math_toggle_token + \c_math_superscript_token + { \text { \tiny \__chemmacros_ox_process_number:n { #1 } } } + \c_math_toggle_token } } \bool_if:NT \l__chemmacros_ox_side_bool @@ -1998,7 +2052,7 @@ \tl_set:Nn \l__chemmacros_nmr_coupling_nuclei_post_tl { ) } \tl_new:N \l__chemmacros_nmr_coupling_bonds_tl \tl_new:N \l__chemmacros_nmr_coupling_bonds_pre_tl -\tl_set:Nn \l__chemmacros_nmr_coupling_bonds_pre_tl { ( } +\tl_set:Nn \l__chemmacros_nmr_coupling_bonds_pre_tl { } \tl_set:Nn \l__chemmacros_nmr_coupling_bonds_post_tl { \! } \tl_new:N \l__chemmacros_nmr_coupling_symbol_tl \tl_set:Nn \l__chemmacros_nmr_coupling_symbol_tl { J } @@ -2087,6 +2141,9 @@ \cs_new_protected:Npn \__chemmacros_nmr_frequency_aux_ii:n #1 { \SI { #1 } { \tl_use:N \l__chemmacros_nmr_unit_tl } } +\cs_new_eq:NN \__chemmacros_nmr_number:n \use:n +\cs_new_eq:NN \__chemmacros_nmr_position:n \use:n + \keys_define:nn { chemmacros / nmr } { unit .tl_set:N = \l__chemmacros_nmr_unit_tl , @@ -2121,6 +2178,10 @@ \l__chemmacros_nmr_coupling_bonds_post_tl , coupling-symbol .tl_set:N = \l__chemmacros_nmr_coupling_symbol_tl , + atom-number-cs .code:n = + \cs_set_eq:NN \__chemmacros_nmr_number:n #1 , + coupling-pos-cs .code:n = + \cs_set_eq:NN \__chemmacros_nmr_position:n #1 , parse .bool_set:N = \l__chemmacros_nmr_parse_bool , delta .code:n = \tl_set:Nn \l__chemmacros_nmr_delta_tl { \, #1 } , @@ -2284,7 +2345,10 @@ \group_end: \tl_if_blank:nT { #1 } { - \tl_use:N \c_space_tl $ \delta $ + \tl_use:N \c_space_tl + \c_math_toggle_token + \delta + \c_math_toggle_token \l__chemmacros_nmr_delta_tl \bool_if:NT \l__chemmacros_nmr_use_equal_bool { ~ = } } @@ -2337,7 +2401,10 @@ } \cs_new_protected:Npn \chemmacros_nmr_number:n #1 - { #1 \, \chemmacros_atom:V \g__chemmacros_nmr_element_tl } + { + \__chemmacros_nmr_number:n { #1 } \, + \chemmacros_atom:V \g__chemmacros_nmr_element_tl + } \cs_new_protected:Npn \chemmacros_nmr_position:n #1 { @@ -2351,7 +2418,10 @@ } } \bool_if:NT \l__chemmacros_nmr_position_side_bool - { \tl_use:N \l__chemmacros_nmr_position_tl #1 } + { + \tl_use:N \l__chemmacros_nmr_position_tl + \__chemmacros_nmr_position:n { #1 } + } } \cs_new_protected:Npn \chemmacros_nmr_coupling:w @@ -2406,11 +2476,11 @@ list-pair-separator={,~}, list-units=single } - \( + \c_math_toggle_token ^{ \l__chemmacros_nmr_coupling_bonds_tl } \l__chemmacros_nmr_coupling_symbol_tl \l__chemmacros_nmr_coupling_nuclei_tl = \SIlist{#2}{#1} - \) + \c_math_toggle_token \group_end: } @@ -2423,11 +2493,12 @@ list-pair-separator={,~}, list-units=single } - \( - ^{ \l__chemmacros_nmr_coupling_bonds_tl } J + \c_math_toggle_token + ^{ \l__chemmacros_nmr_coupling_bonds_tl } + \l__chemmacros_nmr_coupling_symbol_tl \l__chemmacros_nmr_coupling_nuclei_tl = \exp_args:Nno \SIlist { #1 } { \l__chemmacros_nmr_coupling_unit_tl } - \) + \c_math_toggle_token \group_end: } @@ -2458,7 +2529,8 @@ { \chemmacros_remove_backslash:N #1 } \cs_if_free:NF #1 { \msg_error:nnn { chemmacros } { new-phase } { #1 } } - \DeclareTranslationFallback { phase-\l__chemmacros_tmpa_tl } { #2 } + \exp_args:Nx \DeclareTranslationFallback + { phase-\l__chemmacros_tmpa_tl } { #2 } \__chemmacros_define_phase:Nx #1 { \exp_not:N \chemmacros_translate:n @@ -2470,7 +2542,8 @@ { \tl_set:Nx \l__chemmacros_tmpa_tl { \chemmacros_remove_backslash:N #1 } - \DeclareTranslationFallback { phase-\l__chemmacros_tmpa_tl } { #2 } + \exp_args:Nx \DeclareTranslationFallback + { phase-\l__chemmacros_tmpa_tl } { #2 } \__chemmacros_define_phase:Nx #1 { \exp_not:N \chemmacros_translate:n @@ -2484,7 +2557,8 @@ { \chemmacros_remove_backslash:N #1 } \cs_if_free:NT #1 { \msg_error:nnn { chemmacros } { renew-phase } { #1 } } - \DeclareTranslationFallback { phase-\l__chemmacros_tmpa_tl } { #2 } + \exp_args:Nx \DeclareTranslationFallback + { phase-\l__chemmacros_tmpa_tl } { #2 } \__chemmacros_define_phase:Nx #1 { \exp_not:N \chemmacros_translate:n @@ -2503,6 +2577,7 @@ \cs_new_protected:Npn \__chemmacros_define_phase:Nn #1#2 { + \cs_if_free:NT #1 { \cs_new:Npn #1 {} } \cs_set_protected:Npn #1 { \bool_if:NTF \l__chemmacros_phases_sub_bool @@ -2761,11 +2836,11 @@ \ooalign { \tex_hfil:D - $#1-$ + \c_math_toggle_token #1- \c_math_toggle_token \tex_hfil:D \tex_cr:D \tex_hfil:D - $#1#2$ + \c_math_toggle_token #1#2 \c_math_toggle_token \tex_hfil:D \tex_cr:D } @@ -4211,6 +4286,11 @@ Version history backwards compatibility for version 1 has been dropped - drop command \mhName +2014/01/29 - version 4.4 - bug fix in the display of the coupling constant + - bug fix in phase definitions (need to adapt to + changes in `translations' + - new option `nmr/atom-number-cs' + - new option `nmr/coupling-pos-cs' % --------------------------------------------------------------------------- % % TODO: |