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-rw-r--r--Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty192
1 files changed, 107 insertions, 85 deletions
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index c1a37af5dcd..d6d1a07b195 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 2011-2014 Clemens Niederberger
+% 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
@@ -27,8 +27,8 @@
% The Current Maintainer of this work is Clemens Niederberger.
% --------------------------------------------------------------------------
\RequirePackage{ expl3 , xparse , l3keys2e }
-\def\chemmacros@version{4.6}
-\def\chemmacros@date{2014/08/08}
+\def\chemmacros@version{4.7}
+\def\chemmacros@date{2015/02/08}
\ProvidesExplPackage
{chemmacros}
@@ -1253,7 +1253,7 @@
\cs_new_protected:Nn \chemmacros_allow_hyphens:
{
\chemmacros_nobreak:
- \skip_horizontal:n { \c_zero_dim }
+ \skip_horizontal:N \c_zero_dim
}
\dim_new:N \l__chemmacros_iupac_hyphen_pre_dim
@@ -1310,25 +1310,30 @@
\char_set_catcode_active:N \|
\char_set_catcode_active:N \^
-\cs_new_protected:Npn \chemmacros_iupac:n
+\cs_new_protected:Npn \chemmacros_iupac:n #1
{
\group_begin:
\bool_set_true:N \l__chemmacros_inside_iupac_bool
\chemmacros_make_iupac:
\chemmacros_ignore_spaces:
\cs_set_eq:NN \- \chemmacros_break_point_hyphen:
- \char_set_catcode_active:N \|
- \char_set_catcode_active:N \^
\chemmacros_define_deprecated:NN \| |
\chemmacros_define_deprecated:NN \^ ^
- \chemmacros_iupac_aux:n
- }
-
-\cs_new_protected:Npn \chemmacros_iupac_aux:n #1
- {
- #1
+ \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl
+ {
+ \char_set_catcode_active:N \|
+ \char_set_catcode_active:N \^
+ }
+ {#1}
+ \l__chemmacros_tmpa_tl
\group_end:
}
+
+% \cs_new_protected:Npn \chemmacros_iupac_aux:n #1
+% {
+% #1
+% \group_end:
+% }
\group_end:
% Thanks to Joseph Wright and Enrico Gregorio for the help on the curious
@@ -1420,31 +1425,16 @@
\tl_new:N \l__chemmacros_k_base_tl
\tl_new:N \l__chemmacros_k_water_tl
-\bool_new:N \l__chemmacros_subscript_lowercase_bool
+% \bool_new:N \l__chemmacros_subscript_lowercase_bool
\tl_set:Nn \l__chemmacros_k_acid_tl
- {
- \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
- { \tl_to_lowercase:f }
- { \use:n }
- { \chemmacros_translate:n { K-acid } }
- }
+ { \chemmacros_translate:n {K-acid} }
\tl_set:Nn \l__chemmacros_k_base_tl
- {
- \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
- { \tl_to_lowercase:f }
- { \use:n }
- { \chemmacros_translate:n { K-base } }
- }
+ { \chemmacros_translate:n {K-base} }
\tl_set:Nn \l__chemmacros_k_water_tl
- {
- \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
- { \tl_to_lowercase:f }
- { \use:n }
- { \chemmacros_translate:n { K-water } }
- }
+ { \chemmacros_translate:n {K-water} }
\keys_define:nn { chemmacros / acid-base }
{
@@ -1455,11 +1445,11 @@
K-acid .tl_set:N = \l__chemmacros_k_acid_tl ,
K-base .tl_set:N = \l__chemmacros_k_base_tl ,
K-water .tl_set:N = \l__chemmacros_k_water_tl ,
- subscript .choice: ,
- subscript / lowercase .code:n =
- \bool_set_true:N \l__chemmacros_subscript_lowercase_bool ,
- subscript / uppercase .code:n =
- \bool_set_false:N \l__chemmacros_subscript_lowercase_bool
+ subscript .code:n = \chemmacros_option_deprecated:n {#1}
+ % subscript / lowercase .code:n =
+ % \bool_set_true:N \l__chemmacros_subscript_lowercase_bool ,
+ % subscript / uppercase .code:n =
+ % \bool_set_false:N \l__chemmacros_subscript_lowercase_bool
}
\cs_new_eq:NN \chemmacros_p_style:n \textup
@@ -2122,6 +2112,10 @@
\leftmargin\z@
}
\tl_new:N \l__chemmacros_nmr_position_tl
+\tl_new:N \l__chemmacros_nmr_element_method_connector_tl
+\tl_set:Nn \l__chemmacros_nmr_element_method_connector_tl {-}
+\tl_new:N \l__chemmacros_nmr_method_tl
+\tl_set:Nn \l__chemmacros_nmr_method_tl {NMR}
\bool_new:N \l__chemmacros_nmr_coupling_nuclei_sub_bool
\bool_new:N \l__chemmacros_nmr_frequency_bool
@@ -2137,6 +2131,18 @@
\bool_new:N \l__chemmacros_nmr_custom_command_active_bool
\bool_new:N \l__chemmacros_nmr_custom_command_used_bool
+\cs_new_protected:Npn \__chemmacros_nmr_nucleus:nn #1#2
+ {
+ \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
+ }
+ }
+\cs_generate_variant:Nn \__chemmacros_nmr_nucleus:nn { VV }
+
\cs_new_protected:Npn \__chemmacros_nmr_nucleus:w #1,#2 \q_stop
{
\tl_gset:Nn \g__chemmacros_nmr_isotope_tl { #1 }
@@ -2168,11 +2174,12 @@
\tl_put_right:Nn \g__chemmacros_nmr_element_coupled_tl { \} }
}
\tl_put_left:Nn \g__chemmacros_nmr_element_coupled_tl { #2 }
- \iupac { \chemmacros_superscript: { #1 } }
+ \iupac { ^ { #1 } }
\bool_if:NTF \l__chemmacros_nmr_parse_bool
{ \chemformula_ch:nV {} \g__chemmacros_nmr_element_coupled_tl }
{ \chemmacros_atom:V \g__chemmacros_nmr_element_coupled_tl }
- - NMR
+ \tl_use:N \l__chemmacros_nmr_element_method_connector_tl
+ \tl_use:N \l__chemmacros_nmr_method_tl
}
\cs_generate_variant:Nn \__chemmacros_nmr_base:nn { VV }
@@ -2200,6 +2207,8 @@
{ \__chemmacros_nmr_default_nucleus:w #1 \q_stop } ,
nucleus .default:n = { 1,H } ,
format .tl_set:N = \l__chemmacros_nmr_format_tl ,
+ method .tl_set:N = \l__chemmacros_nmr_method_tl ,
+ connector .tl_set:N = \l__chemmacros_nmr_element_method_connector_tl ,
pos-number .choice: ,
pos-number / sub .code:n =
\tl_set:Nn \l__chemmacros_nmr_position_tl { _ }
@@ -2335,9 +2344,9 @@
{ \bool_set_true:N \l__chemmacros_nmr_comma_bool }
\tl_if_empty:nTF { #2 }
{
- \__chemmacros_nmr_nucleus:w
- \l__chemmacros_nmr_isotope_default_tl ,
- \l__chemmacros_nmr_element_default_tl \q_stop
+ \__chemmacros_nmr_nucleus:VV
+ \l__chemmacros_nmr_isotope_default_tl
+ \l__chemmacros_nmr_element_default_tl
}
{ \__chemmacros_nmr_nucleus:w #2 \q_stop }
\mode_if_math:TF
@@ -2456,20 +2465,20 @@
\cs_new_protected:Npn \chemmacros_nmr_position:n #1
{
- \chemmacros_chemformula:x
- {
- \exp_not:V \g__chemmacros_nmr_element_tl
- \bool_if:NF \l__chemmacros_nmr_position_side_bool
- {
- \exp_not:V \l__chemmacros_nmr_position_tl
- \exp_not:n { {#1} }
- }
- }
- \bool_if:NT \l__chemmacros_nmr_position_side_bool
+ \chemmacros_chemformula:x
+ {
+ \exp_not:V \g__chemmacros_nmr_element_tl
+ \bool_if:NF \l__chemmacros_nmr_position_side_bool
{
- \tl_use:N \l__chemmacros_nmr_position_tl
- \__chemmacros_nmr_position:n { #1 }
+ \exp_not:V \l__chemmacros_nmr_position_tl
+ \exp_not:n { {#1} }
}
+ }
+ \bool_if:NT \l__chemmacros_nmr_position_side_bool
+ {
+ \tl_use:N \l__chemmacros_nmr_position_tl
+ \__chemmacros_nmr_position:n { #1 }
+ }
}
\cs_new_protected:Npn \chemmacros_nmr_coupling:w
@@ -2576,9 +2585,9 @@
\tl_set:Nx \l__chemmacros_tmpa_tl
{ \chemmacros_remove_backslash:N #1 }
\cs_if_free:NF #1
- { \msg_error:nnn { chemmacros } { new-phase } { #1 } }
- \exp_args:Nx \DeclareTranslationFallback
- { phase-\l__chemmacros_tmpa_tl } { #2 }
+ { \msg_error:nnn {chemmacros} {new-phase} {#1} }
+ \exp_args:Nx \@trnslt@declare@translation
+ { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
\__chemmacros_define_phase:Nx #1
{
\exp_not:N \chemmacros_translate:n
@@ -2590,8 +2599,8 @@
{
\tl_set:Nx \l__chemmacros_tmpa_tl
{ \chemmacros_remove_backslash:N #1 }
- \exp_args:Nx \DeclareTranslationFallback
- { phase-\l__chemmacros_tmpa_tl } { #2 }
+ \exp_args:Nx \@trnslt@declare@translation
+ { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
\__chemmacros_define_phase:Nx #1
{
\exp_not:N \chemmacros_translate:n
@@ -2603,10 +2612,10 @@
{
\tl_set:Nx \l__chemmacros_tmpa_tl
{ \chemmacros_remove_backslash:N #1 }
- \cs_if_free:NT #1
- { \msg_error:nnn { chemmacros } { renew-phase } { #1 } }
- \exp_args:Nx \DeclareTranslationFallback
- { phase-\l__chemmacros_tmpa_tl } { #2 }
+ \cs_if_exist:NF #1
+ { \msg_error:nnn {chemmacros} {renew-phase} {#1} }
+ \exp_args:Nx \@trnslt@declare@translation
+ { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
\__chemmacros_define_phase:Nx #1
{
\exp_not:N \chemmacros_translate:n
@@ -2615,40 +2624,46 @@
}
\NewDocumentCommand \NewChemPhase { mom }
- { \chemmacros_new_phase:Nn #1 { #3 } }
+ { \chemmacros_new_phase:Nn #1 {#3} }
\NewDocumentCommand \DeclareChemPhase { mom }
- { \chemmacros_define_phase:Nn #1 { #3 } }
+ { \chemmacros_define_phase:Nn #1 {#3} }
\NewDocumentCommand \RenewChemPhase { mom }
- { \chemmacros_renew_phase:Nn #1 { #3 } }
+ { \chemmacros_renew_phase:Nn #1 {#3} }
\cs_new_protected:Npn \__chemmacros_define_phase:Nn #1#2
{
- \cs_if_free:NT #1 { \cs_new:Npn #1 {} }
- \cs_set_protected:Npn #1
+ \cs_if_exist:NF #1 { \cs_new:Npn #1 {} }
+ \DeclareDocumentCommand #1 { o }
{
\bool_if:NTF \l__chemmacros_phases_sub_bool
{
\bool_if:NTF \l_chemformula_inside_ch_bool
- { \chemformula_subscript:n { ( #2 ) } }
- { \ensuremath { \c_math_subscript_token { \text { (#2) } } } }
+ { \chemformula_subscript:n { ( #2 \IfNoValueF {##1} {,~##1} ) } }
+ {
+ \ensuremath
+ {
+ \c_math_subscript_token
+ { \text { ( #2 \IfNoValueF {##1} {,~##1} ) } }
+ }
+ }
}
{
\ensuremath
{
\skip_horizontal:N \l__chemmacros_phases_space_dim
- \text { (#2) }
+ \text { ( #2 \IfNoValueF {##1} {,~##1} ) }
}
}
}
- }
+ }
\cs_generate_variant:Nn \__chemmacros_define_phase:Nn { Nx }
-\NewChemPhase\sld{ s }
-\NewChemPhase\lqd{ l }
-\NewChemPhase\gas{ g }
-\NewChemPhase\aq { aq }
+\NewChemPhase \sld {s}
+\NewChemPhase \lqd {l}
+\NewChemPhase \gas {g}
+\NewChemPhase \aq {aq}
\cs_new_protected:Npn \chemmacros_phase:n #1
{
@@ -2664,7 +2679,7 @@
}
\NewDocumentCommand \phase { m }
- { \chemmacros_phase:n { #1 } }
+ { \chemmacros_phase:n {#1} }
% --------------------------------------------------------------------------
% reaction environments
@@ -4063,15 +4078,14 @@
% --------------------------------------------------------------------------
% language support -- provided through `translations'
% equilibrium constants:
-\DeclareTranslationFallback {K-acid} {A}
-\DeclareTranslation{German} {K-acid} {S}
-\DeclareTranslation{Dutch} {K-acid} {Z}
+\DeclareTranslationFallback {K-acid} {\mathrm{a}}
+\DeclareTranslation{German} {K-acid} {\mathrm{s}}
+\DeclareTranslation{Dutch} {K-acid} {\mathrm{z}}
+
+\DeclareTranslationFallback {K-base} {\mathrm{b}}
-\DeclareTranslationFallback {K-base} {B}
-% \DeclareTranslation{Dutch} {K-base} {B}
+\DeclareTranslationFallback {K-water} {\mathrm{w}}
-\DeclareTranslationFallback {K-water} {W}
-% \DeclareTranslation{Dutch} {K-water} {W}
% phases:
\DeclareTranslation{German}{phase-sld}{ f }
\DeclareTranslation{German}{phase-lqd}{ f{}l }
@@ -4352,10 +4366,18 @@ Version history
2014/08/08 - version 4.6 - from bundle to packages: packages `chemformula',
`ghsystem' and `chemgreek' no longer belong to the
bundle but now are packages of their own.
+2015/02/08 - version 4.7 - fix \iupac so active letters like | still work
+ inside other macros (\section, ...)
+ - Change the default subscripts of the equilibrium
+ constants to match the usage in the IUPAC Green
+ Book
+ - allow \NewChemPhase and friends after \begin{document}
+ - new optional argument to phase commands
+ - new options `nmr/method' and `nmr/connector'
% --------------------------------------------------------------------------- %
% TODO:
- add d-orbitals
- make electron movement arrow tips (`el', `left el' and `right el') public
-- make | and ^ active inside \iupac and use them instead of \| and \^
+- phase commands with arguments (see http://texwelt.de/wissen/fragen/9264)