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-rw-r--r--Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty2015
1 files changed, 1007 insertions, 1008 deletions
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index efa0b0d2138..a1c7aa6c46f 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -1,67 +1,105 @@
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% --------------------------------------------------------------------------- %
-% - the CHEMMACROS bundle - %
-% - chemmacros.sty - %
-% - macros and commands for chemists - %
-% --------------------------------------------------------------------------- %
-% - Clemens Niederberger - %
-% --------------------------------------------------------------------------- %
-% - https://bitbucket.org/cgnieder/chemmacros/ - %
-% - contact@mychemistry.eu - %
-% --------------------------------------------------------------------------- %
-% - If you have any ideas, questions, suggestions or bugs to report, please - %
-% - feel free to contact me. - %
-% --------------------------------------------------------------------------- %
-% - Copyright 2011-2013 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. - %
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx }
-\RequirePackage{ tikz , mathtools , environ , scrlfile , etoolbox , bm }
-\usetikzlibrary{calc,arrows}
-\def\chemmacros@version{3.6b}
-\def\chemmacros@date{2013/04/19}
+% --------------------------------------------------------------------------
+% - the CHEMMACROS bundle
+% - chemmacros.sty
+% - loads of little helpers for chemists
+% --------------------------------------------------------------------------
+% - Clemens Niederberger
+% --------------------------------------------------------------------------
+% - https://bitbucket.org/cgnieder/chemmacros/
+% - contact@mychemistry.eu
+% --------------------------------------------------------------------------
+% - If you have any ideas, questions, suggestions or bugs to report, please
+% - feel free to contact me.
+% --------------------------------------------------------------------------
+% - Copyright 2011-2013 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.
+% --------------------------------------------------------------------------
+\RequirePackage{ expl3 , xparse , l3keys2e }
+\def\chemmacros@version{4.0}
+\def\chemmacros@date{2013/07/06}
\ProvidesExplPackage
{chemmacros}
{\chemmacros@date}
{\chemmacros@version}
- {macros and commands for chemists}
-
-\@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
+ {loads of little helpers for chemists (CN)}
+
+% --------------------------------------------------------------------------
+% check expl3 version:
+\@ifpackagelater { expl3 } { 2012/11/21 }
+ { }
+ {
+ \PackageError { chemmacros } { Support~package~expl3~too~old }
+ {
+ You~need~to~update~your~installation~of~the~bundles~'l3kernel'~and~
+ 'l3packages'.\MessageBreak
+ Loading~chemmacros~will~abort!
+ }
+ \tex_endinput:D
+ }
+
+% --------------------------------------------------------------------------
+% variants of kernel commands:
+\cs_generate_variant:Nn \prop_if_in:NnTF { NV , Nx }
+\cs_generate_variant:Nn \prop_put:Nnn { NV , NVx }
+\cs_generate_variant:Nn \prop_get:NnNTF { NV }
+\cs_generate_variant:Nn \tl_set_rescan:Nnn { NnV }
+
+% --------------------------------------------------------------------------
+% load required packages
+% the technical ones:
+\RequirePackage { environ , scrlfile , etoolbox , translations }
+% related to other topics like mathematics or graphics:
+\RequirePackage { xfrac , siunitx , tikz, mathtools , bm }
+% other packages of this bundle -- ghsystem is not loaded here but at the end
+% of the preamble depending on a package option:
+\RequirePackage { chemformula , chemgreek }
+% TikZ libraries (the don't like expl3 syntax):
+\ExplSyntaxOff
+\usetikzlibrary{calc,arrows}
+\ExplSyntaxOn
+
+% --------------------------------------------------------------------------
+% boolean variables for the package options
+% versioning:
+\bool_new:N \l__chemmacros_version_one_bool
+\bool_new:N \l__chemmacros_version_three_bool
+\bool_new:N \l__chemmacros_version_four_bool
+\bool_set_true:N \l__chemmacros_version_four_bool
+
+\bool_new:N \l__chemmacros_xspace_bool
+\bool_set_true:N \l__chemmacros_xspace_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_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
{
@@ -80,211 +118,293 @@
{ \bool_set_false:N \l__chemmacros_chemfig_bool }
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% warning / error messages
-\cs_new:Npn \chemmacros_msg:nnxx #1#2#3#4
+\cs_new_protected: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 } }
}
-\msg_set:nnnn { chemmacros } { language-not-defined }
+\cs_new_protected:Npn \chemmacros_warning:nnxx #1#2#3#4
{
- The~language~#1~is~not~defined~by~chemmacros.
- }
- {
- You~chose~the~language~`#1'~which~is~not~defined~by~chemmacros.~`english'~is
- ~used~instead.~If~you~just~mistyped~try~again!~Otherwise~contact~the~author~
- and~he'll~probably~add~your~language.
+ \bool_if:NTF \l_chemmacros_strict_bool
+ { \msg_warning:nnxx { #1 } { #2 } { #3 } { #4 } }
+ { \msg_info:nnxx { #1 } { #2 } { #3 } { #4 } }
}
-\msg_set:nnnn { chemmacros } { already-defined }
+\msg_new:nnnn { chemmacros } { language-not-defined }
+ { The~ language~ `#1'~ is~ not~ defined~ by~ chemmacros. }
{
- The~command~#1~has~also~been~defined~by~another~package.
+ You~ chose~ the~ language~ `#1'~ which~ is~ not~ defined~ by~ chemmacros.~
+ `english'~ is~ used~ instead.~ If~ you~ just~ mistyped~ try~ again!~
+ Otherwise~ contact~ the~ author~ and~ he'll~ probably~ add~ your~ language.
}
+
+\msg_new:nnnn { chemmacros } { already-defined }
+ { The~ command~ #1~ has~ also~ been~ defined~ by~ another~ package. }
{
- The~command~#1~has~also~been~defined~by~another~package.~
- chemmacros~provides~an~alternative~definition.~
- See~the~documentation~for~more~information.
+ The~ command~ #1~ has~ also~ been~ defined~ by~ another~ package.~
+ chemmacros~ provides~ an~ alternative~ definition.~ See~ the~
+ documentation~ for~ more~ information.
}
-\msg_set:nnnn { chemmacros } { option-deprecated }
- { The~option~#1~is~deprecated.~I~will~ignore~it. }
+\msg_new:nnnn { chemmacros } { option-deprecated }
+ { The~ option~ `#1'~ is~ deprecated.~ I~ will~ ignore~ it. }
{
- The~package~option~#1~is~deprecated~and~not~used~by~chemmacros~any~more.
- ~It~will~therefore~simply~be~ignored.
+ The~ package~ option~ `#1'~ is~ deprecated~ and~ not~ used~ by~
+ chemmacros~ any~ more.~ It~ will~ therefore~ simply~ be~ ignored.
}
-\msg_set:nnnn { chemmacros } { command-deprecated }
+\msg_new:nnnn { chemmacros } { command-deprecated }
{
- The~command~\token_to_str:N #1 \c_space_tl is~deprecated.~Use~
+ The~ command~ \token_to_str:N #1 \c_space_tl is~ deprecated.~ Use~
\token_to_str:N #2 \c_space_tl instead.
}
{
- The~command~\token_to_str:N #1 \c_space_tl is~deprecated.~Use~
+ The~ command~ \token_to_str:N #1 \c_space_tl is~ deprecated.~ Use~
\token_to_str:N #2 \c_space_tl instead.
}
-\cs_new_protected:Npn \chemmacros_define_deprecated:NNn #1#2#3
+\msg_new:nnnn { chemmacros } { command-dropped }
{
- \cs_new_protected:Npn #1
- {
- \chemmacros_msg:nnxx { chemmacros } { command-deprecated }
- { #1 } { #2 }
- #3
- }
+ The~ command~ \token_to_str:N #1 \c_space_tl has~ been~ dropped.~ I'm~
+ sorry.
+ }
+ {
+ The~ command~ \token_to_str:N #1 \c_space_tl has~ been~ dropped.~ I'm~
+ sorry.
}
-\NewDocumentCommand \DeclareChemDeprecated { mmm }
- { \chemmacros_define_deprecated:NNn #1 #2 { #3 } }
-
-\msg_set:nnnn { chemmacros } { command-dropped }
- { The~command~\token_to_str:N #1 \c_space_tl has~been~dropped.~I'm~sorry. }
- { The~command~\token_to_str:N #1 \c_space_tl has~been~dropped.~I'm~sorry. }
-\msg_set:nnnn { chemmacros } { declare-particle }
+\msg_new:nnnn { chemmacros } { declare-particle }
{
- The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
+ The~ command~ sequence~ \token_to_str:N #1 \c_space_tl is~ already~
+ defined.
}
{
- You've~tried~to~define~a~particle~with~\token_to_str:N \DeclareChemParticle,
- ~but~the~command~sequence~ \token_to_str:N #1 \c_space_tl already~exists.
- ~Please~choose~another~name.
+ You've~ tried~ to~ define~ a~ particle~ with~ \token_to_str:N
+ \DeclareChemParticle ,~ but~ the~ command~ sequence~ \token_to_str:N #1
+ \c_space_tl already~ exists.~ Please~ choose~ another~ name.
}
-\msg_set:nnnn { chemmacros } { renew-particle }
- { The~particle~ \token_to_str:N #1 \c_space_tl is~not~defined. }
+\msg_new:nnnn { chemmacros } { renew-particle }
+ { The~ particle~ \token_to_str:N #1 \c_space_tl is~ not~ defined. }
{
- You've~tried~to~renew~the~particle~\token_to_str:N #1 ,~but~it~doesn't~
- exist.
+ You've~ tried~ to~ renew~ the~ particle~ \token_to_str:N #1 ,~ but~ it~
+ doesn't~ exist.
}
-\msg_set:nnnn { chemmacros } { declare-latin }
+\msg_new:nnnn { chemmacros } { declare-latin }
{
- The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
+ The~ command~ sequence~ \token_to_str:N #1 \c_space_tl is~ already~
+ defined.
}
{
- You've~tried~to~define~a~latin~phrase~with~\token_to_str:N
- \DeclareChemLatin,~but~the~command~sequence~ \token_to_str:N #1 \c_space_tl
- already~exists.~Please~choose~another~name.
+ You've~ tried~ to~ define~ a~ latin~ phrase~ with~\token_to_str:N
+ \DeclareChemLatin ,~ but~ the~ command~ sequence~ \token_to_str:N #1
+ \c_space_tl already~ exists.~ Please~ choose~ another~ name.
}
-\msg_set:nnnn { chemmacros } { renew-latin }
- { The~latin~phrase \token_to_str:N #1 \c_space_tl is~not~defined. }
+\msg_new:nnnn { chemmacros } { renew-latin }
+ { The~ latin~ phrase \token_to_str:N #1 \c_space_tl is~ not~ defined. }
{
- You've~tried~to~renew~the~latin~phrase~\token_to_str:N #1 ,~but~it~doesn't~
- exist.
+ You've~ tried~ to~ renew~ the~ latin~ phrase~ \token_to_str:N #1 ,~ but~
+ it~ doesn't~ exist.
}
-\msg_set:nnnn { chemmacros } { declare-nmr }
+\msg_new:nnnn { chemmacros } { declare-nmr }
{
- The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
+ The~ command~ sequence~ \token_to_str:N #1 \c_space_tl is~ already~
+ defined.
}
{
- You've~tried~to~define~a~NMR~command~with~\token_to_str:N
- \DeclareChemParticle, ~but~the~command~sequence~ \token_to_str:N #1
- \c_space_tl already~exists.~Please~choose~another~name.
+ You've~ tried~ to~ define~ a~ NMR~ command~ with~\token_to_str:N
+ \DeclareChemParticle ,~ but~ the~ command~ sequence~ \token_to_str:N #1
+ \c_space_tl already~ exists.~ Please~ choose~ another~ name.
}
-\msg_set:nnnn { chemmacros } { renew-nmr }
- { The~NMR~command~ \token_to_str:N #1 \c_space_tl is~not~defined. }
+\msg_new:nnnn { chemmacros } { renew-nmr }
+ { The~ NMR~ command~ \token_to_str:N #1 \c_space_tl is~ not~ defined. }
{
- You've~tried~to~renew~the~NMR~command~\token_to_str:N #1 ,~but~it~doesn't~
- exist.
+ You've~ tried~ to~ renew~ the~ NMR~ command~ \token_to_str:N #1 ,~ but~
+ it~ doesn't~ exist.
}
-\msg_set:nnnn { chemmacros } { declare-phase }
+\msg_new:nnnn { chemmacros } { declare-phase }
{
- The~command~sequence~ \token_to_str:N #1 \c_space_tl is~already~defined.
+ The~ command~ sequence~ \token_to_str:N #1 \c_space_tl is~ already~
+ defined.
}
{
- You've~tried~to~define~a~particle~with~\token_to_str:N \DeclareChemPhase ,
- ~but~the~command~sequence~ \token_to_str:N #1 \c_space_tl already~exists.
- ~Please~choose~another~name.
+ You've~ tried~ to~ define~ a~ phase~ with~ \token_to_str:N
+ \DeclareChemPhase ,~ but~ the~ command~ sequence~ \token_to_str:N #1
+ \c_space_tl already~ exists.~ Please~ choose~ another~ name.
}
-\msg_set:nnnn { chemmacros } { renew-phase }
- { The~phase~ \token_to_str:N #1 \c_space_tl is~not~defined. }
+\msg_new:nnnn { chemmacros } { renew-phase }
+ { The~ phase~ \token_to_str:N #1 \c_space_tl is~ not~ defined. }
{
- You've~tried~to~renew~the~phase~\token_to_str:N #1 ,~but~it~doesn't~
- exist.
+ You've~ tried~ to~ renew~ the~ phase~ \token_to_str:N #1 ,~ but~ it~
+ doesn't~ exist.
}
-\msg_set:nnnn { chemmacros } { declare-iupac }
+\msg_new:nnnn { chemmacros } { declare-iupac }
{
- The~iupac~naming~command~ \token_to_str:N #1 \c_space_tl is~already~defined.
+ The~ iupac~ naming~ command~ \token_to_str:N #1 \c_space_tl is~ already~
+ defined.
}
{
- You've~tried~to~define~a~iupac~naming~command~with~\token_to_str:N
- \DeclareChemIUPAC,~but~the~iupac~command~ \token_to_str:N #1 \c_space_tl
- already~exists.~Choose~another~name~or~use~\token_to_str:N \RenewChemIUPAC .
+ You've~ tried~ to~ define~ a~ iupac~ naming~ command~ with~
+ \token_to_str:N \DeclareChemIUPAC ,~ but~ the~ iupac~ command~
+ \token_to_str:N #1 \c_space_tl already~ exists.~ Choose~ another~ name~
+ or~ use~ \token_to_str:N \RenewChemIUPAC .
}
-\msg_set:nnnn { chemmacros } { renew-iupac }
- { The~iupac~naming~command~ \token_to_str:N #1 \c_space_tl is~not~defined. }
+\msg_new:nnnn { chemmacros } { renew-iupac }
{
- You've~tried~to~renew~the~iupac~command~\token_to_str:N #1 ,~but~it~doesn't~
- exist.~Use~\token_to_str:N \DeclareChemIUPAC \c_space_tl instead .
+ The~ iupac~ naming~ command~ \token_to_str:N #1 \c_space_tl is~ not~
+ defined.
+ }
+ {
+ You've~ tried~ to~ renew~ the~ iupac~ command~ \token_to_str:N #1 ,~ but~
+ it~ doesn't~ exist.~ Use~ \token_to_str:N \DeclareChemIUPAC \c_space_tl
+ instead.
}
-\msg_set:nnnn { chemmacros } { ox }
+\msg_new:nnnn { chemmacros } { ox }
{ \token_to_str:N \ox \c_space_tl : ~ #1 ~ \msg_line_context: . }
{ \token_to_str:N \ox \c_space_tl : ~ #1 ~ \msg_line_context: . }
-\msg_set:nnnn { chemmacros } { OX }
+\msg_new:nnnn { chemmacros } { OX }
{ \token_to_str:N \OX \c_space_tl : ~ #1 ~ \msg_line_context: . }
{ \token_to_str:N \OX \c_space_tl : ~ #1 ~ \msg_line_context: . }
-\msg_set:nnnn { chemmacros } { redox }
+\msg_new:nnnn { chemmacros } { redox }
{ \token_to_str:N \redox \c_space_tl : ~ #1 ~ \msg_line_context: . }
{ \token_to_str:N \redox \c_space_tl : ~ #1 ~ \msg_line_context: . }
-\msg_set:nnnn { chemmacros } { chemfig }
+\msg_new:nnnn { chemmacros } { chemfig }
{
- You~need~to~load~the~chemfig~package~in~order~to~make~
- \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
- work~properly~\msg_line_context: .
+ You~ need~ to~ load~ the~ `chemfig'~ package~ in~ order~ to~ make~
+ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl work~
+ properly~ \msg_line_context: .
}
{
- You~need~to~load~the~chemfig~package~in~order~to~make~
- \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
- work~properly~\msg_line_context: .
+ You~ need~ to~ load~ the~ `chemfig'~ package~ in~ order~ to~ make~
+ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl work~
+ properly~ \msg_line_context: .
}
-\msg_set:nnnn { chemmacros } { DeclareChemState }
+\msg_new:nnnn { chemmacros } { DeclareChemState }
{
- The~state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end:
- \c_space_tl already~exists.~You~need~to~use~
- \token_to_str:N \RenewChemState \c_space_tl to~alter~it.
+ The~ state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
+ already~ exists.~ You~ need~ to~ use~ \token_to_str:N \RenewChemState
+ \c_space_tl to~ alter~ it.
}
{
- The~state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end:
- \c_space_tl already~exists.~You~need~to~use~
- \token_to_str:N \RenewChemState \c_space_tl to~alter~it.
+ The~ state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
+ already~ exists.~ You~ need~ to~ use~ \token_to_str:N \RenewChemState
+ \c_space_tl to~ alter~ it.
}
-\msg_set:nnnn { chemmacros } { RenewChemState }
+\msg_new:nnnn { chemmacros } { RenewChemState }
{
- The~state~\exp_after:wN \token_to_str:N \cs:w #1 \cs_end:
- \c_space_tl isn't~set~up~yet.~You~need~to~use~
- \token_to_str:N \DeclareChemState \c_space_tl to~create~it.
+ The~ state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
+ isn't~ set~ up~ yet.~ You~ need~ to~ use~ \token_to_str:N
+ \DeclareChemState \c_space_tl to~ create~ it.
}
{
- The~state~\exp_after:wN \token_to_str:N \cs:w #1 \cs_end:
- \c_space_tl isn't~set~up~yet.~You~need~to~use~
- \token_to_str:N \DeclareChemState \c_space_tl to~create~it.
+ The~ state~ \exp_after:wN \token_to_str:N \cs:w #1 \cs_end: \c_space_tl
+ isn't~ set~ up~ yet.~ You~ need~ to~ use~ \token_to_str:N
+ \DeclareChemState \c_space_tl to~ create ~it.
}
-% --------------------------------------------------------------------------- %
-% scratch variables
+% declare an option as deprecated:
+\cs_new_protected:Npn \chemmacros_option_deprecated:n #1
+ { \chemmacros_msg:nnn { chemmacros } { option-deprecated } { #1 } }
+
+% define a deprecated command with hints to the corresponding new one:
+\cs_new_protected:Npn \chemmacros_define_deprecated:NNn #1#2#3
+ {
+ \cs_new_protected:Npn #1
+ {
+ \chemmacros_msg:nnxx { chemmacros } { command-deprecated }
+ { #1 } { #2 }
+ #3
+ }
+ }
+
+\NewDocumentCommand \DeclareChemDeprecated { mmm }
+ { \chemmacros_define_deprecated:NNn #1 #2 { #3 } }
+
+% define a command as dropped!
+\cs_new_protected:Npn \chemmacros_define_dropped:N #1
+ {
+ \cs_new_protected:Npn #1
+ { \chemmacros_msg:nnxx { chemmacros } { command-dropped } { #1 } { } }
+ }
+
+\NewDocumentCommand \DeclareChemDropped { m }
+ { \chemmacros_define_dropped:N #1 }
+
+% --------------------------------------------------------------------------
+% temporary variables
\tl_new:N \l__chemmacros_tmpa_tl
\tl_new:N \l__chemmacros_tmpb_tl
\int_new:N \l__chemmacros_tmpa_int
\box_new:N \l__chemmacros_tmpa_box
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
+% language settings:
+\bool_new:N \l__chemmacros_language_auto_bool
+\bool_set_true:N \l__chemmacros_language_auto_bool
+% this token list will hold the chosen language for chemmacros; since the
+% language is either chosen automatically or by option it is only available at
+% begin document
+\tl_new:N \l_chemmacros_language_tl
+\tl_set:Nn \l_chemmacros_language_tl { english }
+\tl_new:N \l__chemmacros_current_language_tl
+
+% translate the key #1 or insert #2
+\cs_new:Npn \chemmacros_translate:nn #1#2
+ {
+ \@trnslt@if@translation
+ { #1 }
+ { \l_chemmacros_language_tl }
+ { \GetTranslation{#1} }
+ { #2 }
+ }
+
+\AtBeginDocument{
+ \bool_if:NTF \l__chemmacros_language_auto_bool
+ {
+ \tl_set:Nx \l_chemmacros_language_tl
+ { \@trnslt@language{\@trnslt@current@language} }
+ }
+ {
+ \tl_set_eq:NN
+ \l_chemmacros_language_tl
+ \l__chemmacros_current_language_tl
+ }
+}
+
+% --------------------------------------------------------------------------
+% version management:
+\tl_const:Nn \c__chemmacros_versions_tl { {one} {three} {four} }
+
+\cs_new_protected:Npn \chemmacros_set_version:n #1
+ {
+ \tl_map_inline:Nn \c__chemmacros_versions_tl
+ {
+ \tl_if_eq:nnTF { #1 } { ##1 }
+ { \bool_set_true:c { l__chemmacros_version_##1_bool } }
+ { \bool_set_false:c { l__chemmacros_version_##1_bool } }
+ }
+ }
+
+% --------------------------------------------------------------------------
% package options
-% bpchem => use \IUPAC inside for \NMR command
% circled => circle charges
% detect-bold => behaviour when font series bold
% EZ => cool or chemmacros version of \E
@@ -299,55 +419,52 @@
% 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
+% this boolean has to be public since the other packages of the bundle may
+% want to know its value
+\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_option_greek_set_bool
\bool_new:N \l__chemmacros_use_upgreek_bool
\bool_new:N \l__chemmacros_use_textgreek_bool
-\bool_new:N \l__chemmacros_option_greek_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 }
+\bool_new:N \l__chemmacros_use_kpfonts_bool
+\bool_new:N \l__chemmacros_use_newtx_bool
\cs_new:Npn \chemmacros_inner_font: {}
\keys_define:nn { chemmacros / option }
{
- bpchem .bool_set:N = \l__chemmacros_bpchem_bool ,
- bpchem .default:n = true ,
+ bpchem .code:n = \chemmacros_option_deprecated:n { bpchem } ,
circletype .choice: ,
circletype / math .code:n =
{ \bool_set_false:N \l__chemmacros_circled_chem_bool } ,
circletype / chem .code:n =
{ \bool_set_true:N \l__chemmacros_circled_chem_bool } ,
circled .choice: ,
- circled / none .code:n =
+ circled / none .code:n =
{
\bool_set_false:N \l__chemmacros_circled_bool
\bool_set_false:N \l__chemmacros_circled_formal_bool
} ,
- circled / formal .code:n =
+ circled / formal .code:n =
{
\bool_set_true:N \l__chemmacros_circled_bool
\bool_set_true:N \l__chemmacros_circled_formal_bool
} ,
- circled / all .code:n =
+ circled / all .code:n =
{
\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 =
- \chemmacros_msg:nnxx { chemmacros } { option-deprecated }
- { detect-bold } {} ,
- EZ .code:n =
- \chemmacros_msg:nnxx { chemmacros } { option-deprecated } { EZ } {} ,
+ detect-bold .code:n = \chemmacros_option_deprecated:n { detect-bold } ,
+ EZ .code:n = \chemmacros_option_deprecated:n { EZ } ,
german .code:n =
- \tl_set:Nn \l__chemmacros_language_tl { german } ,
+ \tl_set:Nn \l__chemmacros_current_language_tl { german } ,
ngerman .code:n =
- \tl_set:Nn \l__chemmacros_language_tl { ngerman } ,
+ \tl_set:Nn \l__chemmacros_current_language_tl { ngerman } ,
ghsystem .bool_set:N = \l__chemmacros_ghsystem_bool ,
ghsystem .default:n = true ,
iupac .choice: ,
@@ -360,18 +477,20 @@
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 ,
+ language .code:n =
+ \bool_set_false:N \l__chemmacros_language_auto_bool
+ \tl_set:Nn \l__chemmacros_current_language_tl { #1 } ,
method .choice: ,
method / chemformula .code:n =
- \bool_set_false:N \l__chemmacros_use_mhchem_bool ,
+ \chemmacros_option_deprecated:n { method } ,
method / mhchem .code:n =
- \bool_set_true:N \l__chemmacros_use_mhchem_bool ,
+ \chemmacros_option_deprecated:n { method } ,
Nu .choice: ,
Nu / mathspec .code:n =
\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 ,
+ strict .bool_set:N = \l_chemmacros_strict_bool ,
strict .default:n = true ,
synchronize .choice: ,
synchronize / true .code:n =
@@ -380,88 +499,54 @@
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_greek_set_bool ,
+ \chemgreek_activate_mapping:n { upgreek }
+ \bool_set_true:N \l__chemmacros_option_greek_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_greek_set_bool ,
+ \chemgreek_activate_mapping:n { textgreek }
+ \bool_set_true:N \l__chemmacros_option_greek_set_bool,
+ greek / kpfonts .code:n =
+ \chemgreek_activate_mapping:n { kpfonts }
+ \bool_set_true:N \l__chemmacros_option_greek_set_bool,
+ greek / newtx .code:n =
+ \chemgreek_activate_mapping:n { newtx }
+ \bool_set_true:N \l__chemmacros_option_greek_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_greek_set_bool ,
+ \chemgreek_activate_mapping:n { default }
+ \bool_set_true:N \l__chemmacros_option_greek_set_bool,
greek / auto .code:n =
- \bool_set_false:N \l__chemmacros_use_upgreek_bool
- \bool_set_false:N \l__chemmacros_use_textgreek_bool
- \bool_set_false:N \l__chemmacros_option_greek_set_bool ,
+ \bool_set_false:N \l__chemmacros_option_greek_set_bool,
greek .default:n = auto ,
- upgreek .code:n =
- \chemmacros_msg:nnxx { chemmacros } { option-deprecated }
- { upgreek } {} ,
+ upgreek .code:n = \chemmacros_option_deprecated:n { upgreek } ,
% dummy version for compatibility with KOMA's global option and backwards
% compatibility of chemmacros
- version .code:n =
- \chemmacros_msg:nnxx { chemmacros } { option-deprecated }
- { version } {} ,
+ version .code:n = \chemmacros_option_deprecated:n { version } ,
cmversion .choice: ,
- cmversion / 1 .code:n =
- { \bool_set_true:N \l__chemmacros_version_one_bool } ,
- cmversion / 2 .code:n =
- { \bool_set_false:N \l__chemmacros_version_one_bool } ,
- cmversion / bundle .code:n =
- { \bool_set_false:N \l__chemmacros_version_one_bool } ,
+ cmversion / 1 .code:n = \chemmacros_set_version:n { one } ,
+ cmversion / 2 .code:n = \chemmacros_set_version:n { three } ,
+ cmversion / 3 .code:n = \chemmacros_set_version:n { three } ,
+ cmversion / 4 .code:n = \chemmacros_set_version:n { four } ,
+ cmversion / newest .code:n = \chemmacros_set_version:n { four } ,
+ cmversion / bundle .code:n =
+ \chemmacros_option_deprecated:n { cmversion/bundle } ,
xspace .bool_set:N = \l__chemmacros_xspace_bool ,
xspace .default:n = true
}
-\ProcessKeysOptions { chemmacros / option }
-% --------------------------------------------------------------------------- %
-% 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_map_inline:Nn \l__chemmacros_language_prop
- {
- \cs_if_exist:cF { l__chemmacros_ #2 _bool }
- { \bool_new:c { l__chemmacros_ #2 _bool } }
- }
-\cs_new_protected:Npn \chemmacros_set_language:
- {
- \prop_get:NoNTF
- \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 }
- }
- {
- \chemmacros_msg:nnxx { chemmacros } { language-not-defined }
- { \l__chemmacros_language_tl } { }
- }
- }
+\ProcessKeysOptions { chemmacros / option }
+% --------------------------------------------------------------------------
+% set up a few things:
+% - is `ghsystem' requested?
+% - do we need `xspace'?
+% - what about the greek letters?
\AtEndPreamble
{
- \chemmacros_set_language:
- \chemmacros_make_phases:
\bool_if:NT \l__chemmacros_ghsystem_bool
{ \RequirePackage { ghsystem } }
- \bool_if:NT \l__chemmacros_bpchem_bool
- { \RequirePackage { bpchem } }
\bool_if:NT \l__chemmacros_xspace_bool
{ \RequirePackage { xspace } }
- \bool_if:NT \l__chemmacros_use_mhchem_bool
- { \RequirePackage[ version=3 ]{ mhchem } }
\bool_if:NF \l__chemmacros_option_greek_set_bool
{
\@ifpackageloaded { upgreek }
@@ -469,205 +554,113 @@
{
\@ifpackageloaded { textgreek }
{ \bool_set_true:N \l__chemmacros_use_textgreek_bool }
- { }
+ {
+ \@ifpackageloaded { kpfonts }
+ { \bool_set_true:N \l__chemmacros_use_kpfonts_bool }
+ {
+ \@ifpackageloaded { newtxmath }
+ { \bool_set_true:N \l__chemmacros_use_newtx_bool }
+ { }
+ }
+ }
}
}
- \bool_if:NTF \l__chemmacros_use_upgreek_bool
- {
- \cs_set:Npn \Chemalpha { \ensuremath { \upalpha } }
- \cs_set:Npn \Chembeta { \ensuremath { \upbeta } }
- \cs_set:Npn \Chemgamma { \ensuremath { \upgamma } }
- \cs_set:Npn \Chemdelta { \ensuremath { \updelta } }
- \cs_set:Npn \Chemepsilon { \ensuremath { \upvarepsilon } }
- \cs_set:Npn \Chemeta { \ensuremath { \upeta } }
- \cs_set:Npn \Chemkappa { \ensuremath { \upkappa } }
- \cs_set:Npn \Chemmu { \ensuremath { \upmu } }
- \cs_set:Npn \Chemnu { \ensuremath { \upnu } }
- \cs_set:Npn \Chemrho { \ensuremath { \uprho } }
- \cs_set:Npn \Chempi { \ensuremath { \uppi } }
- \cs_set:Npn \Chemsigma { \ensuremath { \upsigma } }
- \cs_set:Npn \Chemomega { \ensuremath { \upomega } }
- \cs_set:Npn \ChemDelta { \ensuremath { \Updelta } }
- }
- {
- \bool_if:NT \l__chemmacros_use_textgreek_bool
- {
- \cs_set_protected:Npn \Chemalpha { \ensuremath { \text { \textalpha } } }
- \cs_set_protected:Npn \Chembeta { \ensuremath { \text { \textbeta } } }
- \cs_set_protected:Npn \Chemgamma { \ensuremath { \text { \textgamma } } }
- \cs_set_protected:Npn \Chemdelta { \ensuremath { \text { \textdelta } } }
- \cs_set_protected:Npn \Chemepsilon { \ensuremath { \text { \textepsilon } } }
- \cs_set_protected:Npn \Chemeta { \ensuremath { \text { \texteta } } }
- \cs_set_protected:Npn \Chemkappa { \ensuremath { \text { \textkappa } } }
- \cs_set_protected:Npn \Chemmu { \ensuremath { \text { \textmu } } }
- \cs_set_protected:Npn \Chemnu { \ensuremath { \text { \textnu } } }
- \cs_set_protected:Npn \Chemrho { \ensuremath { \text { \textrho } } }
- \cs_set_protected:Npn \Chempi { \ensuremath { \text { \textpi } } }
- \cs_set_protected:Npn \Chemsigma { \ensuremath { \text { \textsigma } } }
- \cs_set_protected:Npn \Chemomega { \ensuremath { \text { \textomega } } }
- \cs_set_protected:Npn \ChemDelta { \ensuremath { \text { \textDelta } } }
- }
- }
- }
-
-\cs_new:Npn \Chemalpha { \ensuremath { \alpha } }
-\cs_new:Npn \Chembeta { \ensuremath { \beta } }
-\cs_new:Npn \Chemgamma { \ensuremath { \gamma } }
-\cs_new:Npn \Chemdelta { \ensuremath { \delta } }
-\cs_new:Npn \Chemepsilon { \ensuremath { \varepsilon } }
-\cs_new:Npn \Chemeta { \ensuremath { \eta } }
-\cs_new:Npn \Chemkappa { \ensuremath { \kappa } }
-\cs_new:Npn \Chemmu { \ensuremath { \mu } }
-\cs_new:Npn \Chemnu { \ensuremath { \nu } }
-\cs_new:Npn \Chemrho { \ensuremath { \rho } }
-\cs_new:Npn \Chempi { \ensuremath { \pi } }
-\cs_new:Npn \Chemsigma { \ensuremath { \sigma } }
-\cs_new:Npn \Chemomega { \ensuremath { \omega } }
-\cs_new:Npn \ChemDelta { \ensuremath { \Delta } }
-
-\cs_new:Npn \chemmacros_xspace:
+ \bool_if:NT \l__chemmacros_use_upgreek_bool
+ { \chemgreek_activate_mapping:n { upgreek } }
+ \bool_if:NT \l__chemmacros_use_textgreek_bool
+ { \chemgreek_activate_mapping:n { textgreek } }
+ \bool_if:NT \l__chemmacros_use_kpfonts_bool
+ { \chemgreek_activate_mapping:n { kpfonts } }
+ \bool_if:NT \l__chemmacros_use_newtx_bool
+ { \chemgreek_activate_mapping:n { newtx } }
+ }
+
+\cs_new_protected:Npn \chemmacros_xspace:
{ \bool_if:NT \l__chemmacros_xspace_bool { \xspace } }
-% --------------------------------------------------------------------------- %
-% TikZ drawings
-\cs_new:Npn \chemmacros_tikz_picture:nn #1#2
+% --------------------------------------------------------------------------
+% TikZ drawings - helper macros
+\cs_new_protected:Npn \chemmacros_tikz_picture:nn #1#2
{ \tikzpicture[#1] #2 \endtikzpicture }
\cs_generate_variant:Nn \chemmacros_tikz_picture:nn { fn,xn }
-\cs_new:Npn \chemmacros_tikz_draw:n #1
+\cs_new_protected:Npn \chemmacros_tikz_draw:n #1
{ \draw[#1] }
\cs_generate_variant:Nn \chemmacros_tikz_draw:n { f,x }
-\cs_new:Npn \chemmacros_tikz_node:n #1
+\cs_new_protected:Npn \chemmacros_tikz_node:n #1
{ \node[#1] }
\cs_generate_variant:Nn \chemmacros_tikz_node:n { f,x }
-\cs_new:Npn \chemmacros_tikz_shade:n #1
+\cs_new_protected:Npn \chemmacros_tikz_shade:n #1
{ \shade[#1] }
\cs_generate_variant:Nn \chemmacros_tikz_shade:n { f,x }
-\cs_new:Npn \chemmacros_tikz_shadedraw:n #1
+\cs_new_protected:Npn \chemmacros_tikz_shadedraw:n #1
{ \shadedraw[#1] }
\cs_generate_variant:Nn \chemmacros_tikz_shadedraw:n { f,x }
-\cs_new:Npn \chemmacros_tikz_node_in_draw:n #1
+\cs_new_protected:Npn \chemmacros_tikz_node_in_draw:n #1
{ node[#1] }
\cs_generate_variant:Nn \chemmacros_tikz_node_in_draw:n { f,x }
-% --------------------------------------------------------------------------- %
-% general functions
-\cs_new_protected:Npn \chemmacros_leave_vmode:
- { \hbox_unpack:N \c_empty_box }
-
+% --------------------------------------------------------------------------
+% a few general functions:
+\cs_new_eq:NN \chemmacros_leave_vmode: \chemformula_leave_vmode:
\cs_new_eq:NN \chemmacros_ignore_spaces: \tex_ignorespaces:D
+\cs_new_eq:NN \chemmacros_nobreak: \chemformula_nobreak:
+\cs_new_eq:NN \chemmacros_allow_break: \chemformula_allow_break:
+\cs_new_eq:NN \chemmacros_skip_nobreak:N \chemformula_skip_nobreak:N
+\cs_new:Npn \chemmacros_remove_backslash:N #1
+ { \exp_after:wN \use_none:n \token_to_str:N #1 }
-\cs_new:Npn \chemmacros_nobreak:
- { \tex_penalty:D \c_ten_thousand }
-\cs_new:Npn \chemmacros_allow_break:
- { \tex_penalty:D \c_zero }
-
-\cs_new:Npn \chemmacros_skip_nobreak:N #1
+% detection and handling of bold face:
+\prg_new_conditional:Npnn \chemmacros_if_bold: { T,F,TF }
{
- \chemmacros_nobreak:
- \skip_horizontal:N #1
- \chemmacros_nobreak:
+ \seq_if_in:NVTF \l__chemmacros_if_bf_seq \f@series
+ { \prg_return_true: }
+ { \prg_return_false: }
}
-% --------------------------------------------------------------------------- %
-% circled charge signs
-\cs_new_protected:Npn \chemmacros_fplus:
- { \ensuremath { \__chemmacros_fplus: } }
-
-\cs_new:Npn \__chemmacros_fplus:
- { \mathpalette \__chemmacros_fplus_aux: \bigcirc }
+\seq_new:N \l__chemmacros_if_bf_seq
-% TODO: can I rewrite this in a more "expl3-way"?
-% and what about a ``text'' version?
-\cs_new:Npn \__chemmacros_fplus_aux: #1#2
+\seq_set_split:Nnn \l__chemmacros_if_bf_seq { , }
{
- \ooalign
- {
- \tex_hfil:D
- $#1+$
- \tex_hfil:D
- \tex_cr:D
- \tex_hfil:D
- $#1#2$
- \tex_hfil:D
- \tex_cr:D
- }
+ b , bc , bm , bx , bux ,
+ eb , ebc , ebx , mb ,
+ sb , sbc , sbx ,
+ ub , ubc , ubx
}
-\cs_new_protected:Npn \chemmacros_fminus:
- { \ensuremath { \__chemmacros_fminus: } }
-
-\cs_new:Npn \__chemmacros_fminus:
- { \mathpalette \__chemmacros_fminus_aux_aux: \bigcirc }
-
-\cs_new:Npn \__chemmacros_fminus_aux_aux: #1#2
+\cs_new_protected:Npn \chemmacros_bm:n #1
{
- \ooalign
- {
- \tex_hfil:D
- $#1-$
- \tex_hfil:D
- \tex_cr:D
- \tex_hfil:D
- $#1#2$
- \tex_hfil:D
- \tex_cr:D
- }
+ \bool_if:NTF \l__chemmacros_detect_bold_bool
+ { \bm { #1 } }
+ { #1 }
}
-% use directly:
-\cs_new_eq:NN \fplus \chemmacros_fplus:
-\cs_new_eq:NN \fminus \chemmacros_fminus:
-
-% change output depending on circled-option
-\cs_new:Npn \chemmacros_plus:
+\cs_new_protected:Npn \chemmacros_bf:n #1
{
- \bool_if:nTF
- { \l__chemmacros_circled_bool && !\l__chemmacros_circled_formal_bool }
- {
- \bool_if:NTF \l__chemmacros_circled_chem_bool
- { \chemmacros_fplus: }
- { \oplus }
- }
- { + }
+ \bool_if:NTF \l__chemmacros_detect_bold_bool
+ { { \normalfont \bfseries #1 } }
+ { { \normalfont #1 } }
}
-\cs_new:Npn \chemmacros_minus:
+\cs_new_protected:Npn \chemmacros_detect_bold:n #1
{
- \bool_if:nTF
- { \l__chemmacros_circled_bool && !\l__chemmacros_circled_formal_bool }
+ \chemmacros_if_bold:TF
{
- \bool_if:NTF \l__chemmacros_circled_chem_bool
- { \chemmacros_fminus: }
- { \ominus }
+ \mode_if_math:TF
+ { \chemmacros_bm:n { #1 } }
+ { \chemmacros_bf:n { #1 } }
}
- { - }
- }
-
-\cs_new_protected:Npn \chemmacros_formal_plus:
- {
- \group_begin:
- \bool_set_false:N \l__chemmacros_circled_formal_bool
- \chemmacros_plus:
- \group_end:
- }
-
-\cs_new_protected:Npn \chemmacros_formal_minus:
- {
- \group_begin:
- \bool_set_false:N \l__chemmacros_circled_formal_bool
- \chemmacros_minus:
- \group_end:
+ { #1 }
}
-% --------------------------------------------------------------------------- %
+% ---------------------------------------------------------------------------
% transition state symbol
-\cs_new:Npn \__chemmacros_transition_state:
+\cs_new_protected:Npn \__chemmacros_transition_state:
{
\text
{
@@ -693,165 +686,100 @@
}
}
+% \DeclareDocumentCommand?
\cs_new_eq:NN \transitionstatesymbol \chemmacros_transition_state:
-\cs_new:Nn \chemmacros_atom:n
+% --------------------------------------------------------------------------
+% let's make use of `chemformula' inside some of `chemmacros' commands:
+\cs_new_protected:Nn \chemmacros_atom:n
{
\mode_if_math:TF
{ \text { \chemmacros_inner_font: #1 } }
{ \group_begin: \chemmacros_inner_font: #1 \group_end: }
}
-\cs_generate_variant:Nn \chemmacros_atom:n { o,f,x,V }
+\cs_generate_variant:Nn \chemmacros_atom:n { V }
-\cs_new:Npn \chemmacros_text:n #1
+\cs_new_protected:Npn \chemmacros_text:n #1
{ \mode_if_math:TF { \text { #1 } } { #1 } }
-% add a possibility to let chemformula use the chemformula
-% with method=chemformula, too
\tl_new:N \l__chemmacros_chemformula_tl
+
\cs_new_protected:Npn \chemmacros_chemformula:n #1
{
- \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
- \mode_if_math:TF
- { \text { \l__chemmacros_chemformula_tl } }
- { { \l__chemmacros_chemformula_tl } }
- \group_end:
- }
+ \group_begin:
+ \cs_set_eq:NN \chemformula_font_inner: \chemmacros_inner_font:
+ \chemformula_chcpd:nn {} { #1 }
+ \group_end:
}
\cs_generate_variant:Nn \chemmacros_chemformula:n { x,V }
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% particles, charges
-\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
+\NewDocumentCommand \DeclareChemParticle { mm }
{
- \NewDocumentCommand \DeclareChemParticle { mm }
- {
- \cs_if_free:NTF #1
- { \cs_new:Npn #1 { \ce { #2 } \chemmacros_xspace: } }
- { \chemmacros_msg:nnxx { chemmacros } { declare-particle } { #1 } {} }
- }
- \NewDocumentCommand \RenewChemParticle { mm }
- {
- \cs_if_free:NTF #1
- { \chemmacros_msg:nnxx { chemmacros } { renew-particle } { #1 } {} }
- { \cs_set:Npn #1 { \ce { #2 } \chemmacros_xspace: } }
- }
+ \cs_if_free:NTF #1
+ { \chemmacros_new_particle:Nn #1 { #2 } }
+ { \chemmacros_msg:nnxx { chemmacros } { declare-particle } { #1 } {} }
}
+
+\NewDocumentCommand \RenewChemParticle { mm }
{
- \NewDocumentCommand \DeclareChemParticle { mm }
- {
- \cs_if_free:NTF #1
- { \chemmacros_chem_particle:Nn #1 { #2 } }
- { \chemmacros_msg:nnxx { chemmacros } { declare-particle } { #1 } {} }
- }
- \NewDocumentCommand \RenewChemParticle { mm }
- {
- \cs_if_free:NTF #1
- { \chemmacros_msg:nnxx { chemmacros } { renew-particle } { #1 } {} }
- { \chemmacros_chem_particle:Nn #1 { #2 } }
- }
+ \cs_if_free:NTF #1
+ { \chemmacros_msg:nnxx { chemmacros } { renew-particle } { #1 } {} }
+ { \chemmacros_new_particle:Nn #1 { #2 } }
}
-\cs_new_protected:Nn \chemmacros_chem_particle:Nn
+\cs_new_protected:Nn \chemmacros_new_particle:Nn
{
- \cs_set:Npn #1
+ \cs_set_protected:Npn #1
{
- \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
- { \ExplSyntaxOn }
- { \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
- { \ExplSyntaxOn }
- { \l__chemformula_input_tl }
- \chemformula_write:V \l__chemmacros_tmpa_tl
- \group_end:
- \chemmacros_xspace:
- }
+ \chemformula_chcpd:nn {} { #2 }
+ \chemmacros_xspace:
}
}
-\bool_if:NTF \l__chemmacros_use_mhchem_bool
- {
- \cs_new:Npn \el { \chemmacros_atom:n { e } \mch \chemmacros_xspace: }
- \cs_new:Npn \prt { \chemmacros_atom:n { p } \pch \chemmacros_xspace: }
- }
- {
- \DeclareChemParticle \el { e- }
- \DeclareChemParticle \prt { p+ }
- }
-
+\DeclareChemParticle \el { e- }
+\DeclareChemParticle \prt { p+ }
\DeclareChemParticle \ntr { n^0 }
-\cs_new:Npn \chemmacros_bm:n #1
- {
- \bool_if:NTF \l__chemmacros_detect_bold_bool
- { \bm { #1 } }
- { #1 }
- }
+\DeclareChemDropped \Rad
-\cs_new:Npn \chemmacros_bf:n #1
- {
- \bool_if:NTF \l__chemmacros_detect_bold_bool
- { { \normalfont \bfseries #1 } }
- { { \normalfont #1 } }
- }
+% --------------------------------------------------------------------------
+% charges
+% circled charge signs: they are defined in the `chemformula' module:
+% use directly:
+
+\cs_new_protected:Npn \fplus { { \chemformula_fplus: } }
+\cs_new_protected:Npn \fminus { { \chemformula_fminus: } }
+
+% change output depending on circled-option
+\cs_new_eq:NN \chemmacros_plus: \chemformula_plus:
+\cs_new_eq:NN \chemmacros_minus: \chemformula_minus:
-\cs_new:Npn \chemmacros_detect_bold:n #1
+\cs_new_protected:Npn \chemmacros_formal_plus:
{
- \chemmacros_if_bold:TF
- {
- \mode_if_math:TF
- { \chemmacros_bm:n { #1 } }
- { \chemmacros_bf:n { #1 } }
- }
- { #1 }
+ \group_begin:
+ \bool_set_true:N \l__chemformula_formal_charges_bool
+ \chemformula_plus:
+ \group_end:
}
-\NewDocumentCommand \Rad { O{}G{} }
+\cs_new_protected:Npn \chemmacros_formal_minus:
{
- \chemmacros_msg:nnxx { chemmacros } { command-dropped }
- { \Rad } { }
- #1#2
+ \group_begin:
+ \bool_set_true:N \l__chemformula_formal_charges_bool
+ \chemformula_minus:
+ \group_end:
}
-% charges
-\cs_new:Npn \chemmacros_charge:n #1
+\cs_new_protected:Npn \chemmacros_charge:n #1
{
- \bool_if:NTF \l__chemmacros_charge_append_bool
- {
- \mode_if_math:TF
- { {}^ { \chemmacros_detect_bold:n { #1 } } }
- { $ {}^ { \chemmacros_detect_bold:n { #1 } } $ }
- }
- {
- \mode_if_math:TF
- { ^ { \chemmacros_detect_bold:n { #1 } } }
- { $ ^ { \chemmacros_detect_bold:n { #1 } } $ }
- }
+ \chemformula_superscript:n
+ { \chemmacros_detect_bold:n { #1 } }
}
\keys_define:nn { chemmacros / charges }
- {
- append .bool_set:N = \l__chemmacros_charge_append_bool ,
- append .default:n = true
- }
+ { append .code:n = \chemmacros_option_deprecated:n { append } }
\NewDocumentCommand \mch { o }
{
@@ -881,44 +809,67 @@
{ \chemmacros_charge:n { #1 \chemmacros_formal_plus: } }
}
-\cs_new:Npn \delm
- { \mbox { \tiny \( \delta \chemmacros_minus: \) } \chemmacros_xspace: }
-\cs_new:Npn \delp
- { \mbox { \tiny \( \delta \chemmacros_plus: \) } \chemmacros_xspace: }
-\cs_new:Npn \fdelm
- { \mbox { \tiny \( \delta \chemmacros_formal_minus: \) } \chemmacros_xspace: }
-\cs_new:Npn \fdelp
- { \mbox { \tiny \( \delta \chemmacros_formal_plus: \) } \chemmacros_xspace: }
-\cs_new:Npn \scrm
+\tl_new:N \l__chemmacros_partial_charge_format_tl
+\tl_set:Nn \l__chemmacros_partial_charge_format_tl { \tiny }
+
+\cs_new_protected:Npn \delm
+ {
+ \mbox {
+ \l__chemmacros_partial_charge_format_tl
+ \( \delta \chemmacros_minus: \)
+ }
+ \chemmacros_xspace:
+ }
+\cs_new_protected:Npn \delp
+ {
+ \mbox {
+ \l__chemmacros_partial_charge_format_tl
+ \( \delta \chemmacros_plus: \)
+ }
+ \chemmacros_xspace:
+ }
+\cs_new_protected:Npn \fdelm
+ {
+ \mbox {
+ \l__chemmacros_partial_charge_format_tl
+ \( \delta \chemmacros_formal_minus: \)
+ }
+ \chemmacros_xspace:
+ }
+\cs_new_protected:Npn \fdelp
+ {
+ \mbox {
+ \l__chemmacros_partial_charge_format_tl
+ \( \delta \chemmacros_formal_plus: \)
+ }
+ \chemmacros_xspace:
+ }
+
+\cs_new_protected:Npn \scrm
{ \ensuremath { \scriptstyle \chemmacros_minus: } }
-\cs_new:Npn \scrp
+\cs_new_protected:Npn \scrp
{ \ensuremath { \scriptstyle \chemmacros_plus: } }
-\cs_new:Npn \fscrm
+\cs_new_protected:Npn \fscrm
{ \ensuremath { \scriptstyle \chemmacros_formal_minus: } }
-\cs_new:Npn \fscrp
+\cs_new_protected:Npn \fscrp
{ \ensuremath { \scriptstyle \chemmacros_formal_plus: } }
-\cs_new:Npn \fsscrm
+\cs_new_protected:Npn \fsscrm
{ \ensuremath { \scriptscriptstyle \chemmacros_formal_minus: } }
-\cs_new:Npn \fsscrp
+\cs_new_protected:Npn \fsscrp
{ \ensuremath { \scriptscriptstyle \chemmacros_formal_plus: } }
-% --------------------------------------------------------------------------- %
-% ions, molecules
-% proton, hydroxide, hydronium/oxonium, water, nucleophile, electrophile
-\bool_if:NTF \l__chemmacros_use_mhchem_bool
- {
- \cs_new:Npn \Hpl { \chemmacros_atom:n { H } \pch \chemmacros_xspace: }
- \cs_new:Npn \Hyd { \chemmacros_atom:n { OH } \mch \chemmacros_xspace: }
- \cs_new:Npn \HtO { \chemmacros_chemformula:n { H3O } \pch \chemmacros_xspace: }
- \cs_new:Npn \El { \chemmacros_atom:n { E } \pch \chemmacros_xspace: }
- }
+\keys_define:nn { chemmacros / charges }
{
- \DeclareChemParticle \Hpl { H+ }
- \DeclareChemParticle \Hyd { OH- }
- \DeclareChemParticle \HtO { H3O+ }
- \DeclareChemParticle \El { E+ }
+ partial-format .tl_set:N = \l__chemmacros_partial_charge_format_tl
}
+% --------------------------------------------------------------------------
+% ions, molecules
+% proton, hydroxide, hydronium/oxonium, water, nucleophile, electrophile
+\DeclareChemParticle \Hpl { H+ }
+\DeclareChemParticle \Hyd { OH- }
+\DeclareChemParticle \HtO { H3O+ }
+\DeclareChemParticle \El { E+ }
\DeclareChemParticle \water { H2O }
\NewDocumentCommand \chemmacros_Nu:w { o }
@@ -926,11 +877,7 @@
\IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } }
\bool_if:NTF \l__chemmacros_particle_elpair_bool
{ \chemmacros_elpair:n { Nu } \mch }
- {
- \bool_if:NTF \l__chemmacros_use_mhchem_bool
- { \chemmacros_atom:n { Nu } \mch }
- { \chemmacros_chemformula:n { Nu- } }
- }
+ { \chemmacros_chemformula:n { Nu- } }
\chemmacros_xspace:
}
@@ -941,15 +888,11 @@
{ \cs_set_eq:NN \Nu \chemmacros_Nu:w }
}
-\cs_new:Npn \chemmacros_ba:
+\cs_new_protected:Npn \chemmacros_ba:
{
\bool_if:NTF \l__chemmacros_particle_elpair_bool
{ \chemmacros_elpair:n { ba } \mch }
- {
- \bool_if:NTF \l__chemmacros_use_mhchem_bool
- { \chemmacros_atom:n { ba } \mch }
- { \chemmacros_chemformula:n { ba- } }
- }
+ { \chemmacros_chemformula:n { ba- } }
\chemmacros_xspace:
}
@@ -961,7 +904,7 @@
\group_end:
}
-\cs_new:Npn \chemmacros_elpair:n #1
+\cs_new_protected:Npn \chemmacros_elpair:n #1
{
\bool_if:NTF \l__chemmacros_chemfig_bool
{
@@ -998,20 +941,21 @@
elpair .default:n = dots
}
-%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% --------------------------------------------------------------------------
% IUPAC
\prop_new:N \l__chemmacros_iupac_prop
\cs_new_protected:Npn \chemmacros_declare_iupac:Nn #1#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 }
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \prop_if_in:NVTF \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:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ { #2 }
+ }
\chemmacros_make_iupac:
}
@@ -1022,8 +966,12 @@
{ #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 } }
+ \prop_if_in:NVTF \l__chemmacros_iupac_prop \l__chemmacros_tmpa_tl
+ {
+ \prop_put:NVn \l__chemmacros_iupac_prop
+ \l__chemmacros_tmpa_tl
+ { #2 }
+ }
{ \chemmacros_msg:nnxx { chemmacros } { renew-iupac } { #1 } { } }
\chemmacros_make_iupac:
}
@@ -1076,8 +1024,8 @@
\NewDocumentCommand \cip { m }
{ \chemmacros_cip:n { #1 } }
-\cs_new:Npn \chemmacros_cip:n #1
- { (\textit{#1}\tex_kern:D \l__chemmacros_cip_kern_dim) }
+\cs_new_protected:Npn \chemmacros_cip:n #1
+ { ( \textit{#1} \tex_kern:D \l__chemmacros_cip_kern_dim ) }
\DeclareChemDeprecated \Rcip \R { \cip { R } }
\DeclareChemDeprecated \Scip \S { \cip { S } }
@@ -1087,7 +1035,7 @@
% TikZ needs : to be other
\ExplSyntaxOff
-\def\chemmacros@sconf#1%
+\protected\def\chemmacros@sconf#1%
{%
\tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex]
{
@@ -1096,7 +1044,7 @@
}%
}
-\def\chemmacros@rconf#1%
+\protected\def\chemmacros@rconf#1%
{%
\tikz[baseline=(a.base),text height=1.5ex,text depth=.25ex]
{
@@ -1119,8 +1067,8 @@
\DeclareChemIUPAC \tert { \textit { tert } }
% Fischer
-\DeclareChemDeprecated \Dfi \D { \textsc { d } }
-\DeclareChemDeprecated \Lfi \L { \textsc { l } }
+\DeclareChemDropped \Dfi
+\DeclareChemDropped \Lfi
\DeclareChemIUPAC \D { \textsc { d } }
\DeclareChemIUPAC \L { \textsc { l } }
@@ -1148,10 +1096,10 @@
coord-use-hyphen .default:n = true
}
-\cs_new:Npn \chemformula_hapto:n #1
+\cs_new_protected:Npn \chemformula_hapto:n #1
{ \Chemeta \chemformula_superscript:n { #1 } \chemmacros_break_point_hyphen: }
-\cs_new:Npn \chemformula_bridge:n #1
+\cs_new_protected:Npn \chemformula_bridge:n #1
{
\Chemmu
\tl_if_blank:nF { #1 }
@@ -1167,11 +1115,11 @@
\DeclareChemIUPAC \bridge { \chemformula_bridge:n }
% attachments to heteroatoms / added hydrogen
-\DeclareChemIUPAC \H { \textit { H } }
-\DeclareChemIUPAC \O { \textit { O } }
-\DeclareChemIUPAC \N { \textit { N } }
-\DeclareChemIUPAC \Sf { \textit { S } }
-\DeclareChemIUPAC \P { \textit { P } }
+\DeclareChemIUPAC \H { \textit { H } }
+\DeclareChemIUPAC \O { \textit { O } }
+\DeclareChemIUPAC \N { \textit { N } }
+\DeclareChemIUPAC \Sf { \textit { S } }
+\DeclareChemIUPAC \P { \textit { P } }
% language specific settings
\AtBeginDocument
@@ -1265,6 +1213,7 @@
\NewDocumentCommand \iupac { m }
{ \chemmacros_iupac:n { #1 } }
+% --------------------------------------------------------------------------
% latin phrases
\tl_new:N \l__chemmacros_latin_format_tl
\tl_set:Nn \l__chemmacros_latin_format_tl { \itshape }
@@ -1272,7 +1221,7 @@
\keys_define:nn { chemmacros / latin }
{ format . tl_set:N = \l__chemmacros_latin_format_tl }
-\cs_new:Npn \chemmacros_latin:n #1
+\cs_new_protected:Npn \chemmacros_latin:n #1
{ { \l__chemmacros_latin_format_tl #1 } }
\prop_new:N \l__chemmacros_latin_prop
@@ -1281,7 +1230,8 @@
{
\cs_if_free:NTF #1
{
- \cs_new:Npn #1 { \chemmacros_latin:n { #2 } \chemmacros_xspace: }
+ \cs_new_protected:Npn #1
+ { \chemmacros_latin:n { #2 } \chemmacros_xspace: }
\prop_put:Nnn \l__chemmacros_latin_prop { #1 } { #2 }
}
{ \chemmacros_msg:nnxx { chemmacros } { declare-latin } { #1 } { } }
@@ -1313,13 +1263,13 @@
{
\cs_new_eq:NN \latin \chemmacros_latin:n
}
- \DeclareChemLatin \insitu { in~situ }
+ \DeclareChemLatin \insitu { in~situ }
\DeclareChemLatin \abinitio { ab~initio }
- \DeclareChemLatin \invacuo { in~vacuo }
+ \DeclareChemLatin \invacuo { in~vacuo }
}
% --------------------------------------------------------------------------- %
-% acid/base
+% acid / base
\keys_define:nn { chemmacros / acid-base }
{
p-style .choice: ,
@@ -1330,64 +1280,56 @@
\cs_new_eq:NN \chemmacros_p_style:n \textup
-% TODO: rewrite in expl3 style
-\cs_new:Npn \chemmacros_if_bold:TF #1#2
- {
- \ifx\f@series\l__chemmacros_if_bf_tl
- \expandafter\@firstoftwo
- \else
- \expandafter\@secondoftwo
- \fi
- { #1 }{ #2 }
- }
-
-\tl_new:N \l__chemmacros_if_bf_tl
-\tl_set:Nn \l__chemmacros_if_bf_tl { bx }
-
\cs_new_protected:Npn \Ka
{
- \mbox
+ \ensuremath
{
- \(
- \chemmacros_detect_bold:n
- {
- K \c_math_subscript_token \mathrm
- { \bool_if:NTF \l__chemmacros_german_bool { S } { A } }
- }
- \)
+ \chemmacros_detect_bold:n
+ {
+ K
+ \c_math_subscript_token
+ { \chemmacros_translate:nn { K-acid } { A } }
+ }
}
\chemmacros_xspace:
}
\cs_new_protected:Npn \Kb
{
- \mbox
+ \ensuremath
{
- \(
- \chemmacros_detect_bold:n
- { K \c_math_subscript_token \mathrm { B } }
- \)
+ \chemmacros_detect_bold:n
+ {
+ K
+ \c_math_subscript_token
+ { \chemmacros_translate:nn { K-base } { B } }
+ }
}
\chemmacros_xspace:
}
\cs_new_protected:Npn \Kw
{
- \mbox
+ \ensuremath
{
- \(
- \chemmacros_detect_bold:n
- { K \c_math_subscript_token \mathrm { W } }
- \)
+ \chemmacros_detect_bold:n
+ {
+ K
+ \c_math_subscript_token
+ { \chemmacros_translate:nn { K-water } { W } }
+ }
}
\chemmacros_xspace:
}
-\cs_new:Npn \chemmacros_p:n #1
+\cs_new_protected:Npn \chemmacros_p:n #1
{
\group_begin:
- \chemmacros_p_style:n { p }
- \ensuremath { #1 }
+ \mbox
+ {
+ \chemmacros_p_style:n { p }
+ \ensuremath { #1 }
+ }
\group_end:
}
@@ -1411,7 +1353,7 @@
\chemmacros_p:n
{
\Ka \IfNoValueF { #1 }
- { \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } }
+ { {} \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } }
}
\chemmacros_xspace:
}
@@ -1421,12 +1363,12 @@
\chemmacros_p:n
{
\Kb \IfNoValueF { #1 }
- { \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } }
+ { {} \c_math_subscript_token { \chemmacros_detect_bold:n { #1 } } }
}
\chemmacros_xspace:
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% units
\DeclareSIUnit { \atm } { atm }
\DeclareSIUnit { \atmosphere } { atm }
@@ -1448,7 +1390,7 @@
\DeclareSIUnit { \normal } { \textsc{n} }
\DeclareSIUnit { \torr } { torr }
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% reaction mechanisms
% \mech[<type>]
% <type> - substitutions: {}, 1, 2, se, 1e, 2e, ar
@@ -1545,27 +1487,27 @@
{ \chemmacros_mech:n { #1 } }
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% 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_explicit_sign_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_format_roman_bool
-\bool_set_true:N \l__chemmacros_ox_format_roman_bool
-\bool_new:N \l__chemmacros_ox_decimal_marker_comma_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_parse_bool
-\bool_set_true:N \l__chemmacros_ox_parse_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
+\bool_new:N \l__chemmacros_ox_parse_bool
+\bool_set_true:N \l__chemmacros_ox_parse_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
-\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
\cs_new_protected:Npn \__chemmacros_ox_process_number:n #1
{
@@ -1591,16 +1533,20 @@
slash-symbol-font = lmr
}
-\cs_new:Npn \__chemmacros_ox_fraction:n #1/#2
+\cs_new_protected:Npn \__chemmacros_ox_fraction:n #1/#2
{
\bool_set_false:N \l__chemmacros_ox_format_roman_bool
\__chemmacros_ox_sign:n { #1 }
\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 } }
+ {
+ \sfrac [ chemmacros-ox-frac ]
+ { \__chemmacros_ox_value:n { #1 } }
+ { #2 }
+ }
}
-\cs_new:Npn \__chemmacros_ox_sign:n #1
+\cs_new_protected:Npn \__chemmacros_ox_sign:n #1
{
\fp_compare:nNnT { #1 } > { 0 }
{ \bool_if:NT \l__chemmacros_ox_explicit_sign_bool { $+$ } }
@@ -1616,13 +1562,11 @@
\fp_abs:N \l__chemmacros_ox_number_fp
\__chemmacros_ox_is_integer:V \l__chemmacros_ox_number_fp
\bool_if:NTF \l__chemmacros_ox_format_roman_bool
- {
- \__chemmacros_fp_to_Roman:V \l__chemmacros_ox_number_fp
- }
+ { \__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 }
+ { $ \__chemmacros_fp_to_arabic:V \l__chemmacros_ox_number_fp $ }
+ { $ \__chemmacros_fp_show:V \l__chemmacros_ox_number_fp $ }
}
}
@@ -1646,10 +1590,11 @@
\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_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 { \l__chemmacros_tmpa_int } }
\group_end:
}
\cs_generate_variant:Nn \__chemmacros_fp_to_Roman:n { V }
@@ -1669,7 +1614,8 @@
\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_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
}
@@ -1810,12 +1756,19 @@
\cs_new_protected:Npn \chemmacros_redox_partner:nn #1#2
{
- \tl_if_blank:nT { #1 }
- { \msg_error:nnx { chemmacros } { OX } { node~name~missing } }
- \tl_if_blank:nT { #2 }
- { \msg_error:nnx { chemmacros } { OX } { atom~missing } }
- \tikz[baseline=(#1.base),remember~picture]
- { \node [inner~sep=0] (#1) { #2 } ; }
+ \chemformula_latex_if:nTF { measuring@ }
+ {
+ \tikz[baseline=(#1.base)]
+ { \node [inner~sep=0] (#1) { #2 } ; }
+ }
+ {
+ \tl_if_blank:nT { #1 }
+ { \msg_error:nnx { chemmacros } { OX } { node~name~missing } }
+ \tl_if_blank:nT { #2 }
+ { \msg_error:nnx { chemmacros } { OX } { atom~missing } }
+ \tikz[baseline=(#1.base),remember~picture]
+ { \node [inner~sep=0] (#1) { #2 } ; }
+ }
}
\cs_new_protected:Npn \__chemmacros_redox_coordinates:nn #1#2
@@ -1937,20 +1890,18 @@
\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_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
+\bool_new:N \l__chemmacros_nmr_list_bool
+\bool_new: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
\cs_new_protected:Npn \__chemmacros_nmr_nucleus:w #1,#2 \q_stop
{
@@ -1983,33 +1934,25 @@
\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 } }
- {
- \iupac { \^ { #1 } }
- \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 } }
- }
- { \chemmacros_atom:V \g__chemmacros_nmr_element_coupled_tl }
- - NMR
- }
+ \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
}
\cs_generate_variant:Nn \__chemmacros_nmr_base:nn { VV }
-\cs_new:Npn \__chemmacros_nmr_frequency:n #1
+\cs_new_protected:Npn \__chemmacros_nmr_frequency:n #1
{
\tl_if_in:nnTF { #1 } { , }
{ \__chemmacros_nmr_frequency_aux_i:w #1 \q_stop }
{ \__chemmacros_nmr_frequency_aux_ii:n { #1 } }
}
-\cs_new:Npn \__chemmacros_nmr_frequency_aux_i:w #1,#2 \q_stop
+\cs_new_protected:Npn \__chemmacros_nmr_frequency_aux_i:w #1,#2 \q_stop
{ \SI { #1 } { #2 } }
-\cs_new:Npn \__chemmacros_nmr_frequency_aux_ii:n #1
+\cs_new_protected:Npn \__chemmacros_nmr_frequency_aux_ii:n #1
{ \SI { #1 } { \tl_use:N \l__chemmacros_nmr_unit_tl } }
\keys_define:nn { chemmacros / nmr }
@@ -2066,21 +2009,27 @@
\NewDocumentCommand \RenewChemNMR { mm }
{ \chemmacros_renew_nmr:Nn #1 { #2 } }
-% TODO: separate document and module level
+\NewDocumentCommand \NMR { s G{} D(){} O{} }
+ {
+ \IfBooleanTF { #1 }
+ { \chemmacros_nmr:nnnn { * } { #2 } { #3 } { #4 } }
+ { \chemmacros_nmr:nnnn { } { #2 } { #3 } { #4 } }
+ }
+
\AtBeginDocument
{
% \NMR{<num>,<elem>}(<num>,<unit>)[<solvent>] ALL arguments are optional
% \NMR* same but without ": $\delta$" at end
- \NewDocumentCommand \NMR { s g d() o }
+ \cs_new_protected:Npn \chemmacros_nmr:nnnn #1#2#3#4
{
\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
- \IfNoValueF { #3 }
+ \tl_if_empty:nF { #3 }
{ \bool_set_true:N \l__chemmacros_nmr_frequency_bool }
- \IfNoValueF { #4 }
+ \tl_if_empty:nF { #4 }
{ \bool_set_true:N \l__chemmacros_nmr_solvent_bool }
\bool_if:nT
{
@@ -2096,7 +2045,7 @@
\l__chemmacros_nmr_solvent_bool
}
{ \bool_set_true:N \l__chemmacros_nmr_comma_bool }
- \IfNoValueTF { #2 }
+ \tl_if_empty:nTF { #2 }
{
\__chemmacros_nmr_nucleus:w
\l__chemmacros_nmr_isotope_default_tl ,
@@ -2122,10 +2071,10 @@
{ \chemmacros_atom:n { #4 } }
\bool_if:NT \l__chemmacros_nmr_delimiters_bool
{ ) }
- \IfBooleanF { #1 } { : ~ }
+ \tl_if_blank:nT { #1 } { : ~ }
\group_end:
}
- \IfBooleanF { #1 }
+ \tl_if_blank:nT { #1 }
{
\delta
\text { \l__chemmacros_nmr_delta_tl }
@@ -2147,25 +2096,21 @@
\bool_if:NT \l__chemmacros_nmr_solvent_bool
{
\bool_if:NTF \l__chemmacros_nmr_parse_bool
- {
- \bool_if:NTF \l__chemmacros_use_mhchem_bool
- { \ce { #4 } }
- { \ch { #4 } }
- }
+ { \chemformula_ch:nn { } { #4 } }
{ #4 }
}
\bool_if:NT \l__chemmacros_nmr_delimiters_bool
{ ) }
- \IfBooleanF { #1 } { : }
+ \tl_if_blank:nT { #1 } { : }
\group_end:
- \IfBooleanF { #1 }
+ \tl_if_blank:nT { #1 }
{
\tl_use:N \c_space_tl $ \delta $
\l__chemmacros_nmr_delta_tl
\bool_if:NT \l__chemmacros_nmr_use_equal_bool { ~ = }
}
\bool_if:NF \l__chemmacros_nmr_comma_bool
- { \IfBooleanF { #1 } { \chemmacros_xspace: } }
+ { \tl_if_blank:nT { #1 } { \chemmacros_xspace: } }
}
\group_end:
}
@@ -2188,6 +2133,7 @@
{ \chemmacros_val_aux:w #1 \q_nil }
{ \num { #1 } }
}
+
\cs_new_protected:Npn \chemmacros_val_aux:w #1--#2 \q_nil
{ \numrange { #1 } { #2 } }
@@ -2211,30 +2157,14 @@
\chemmacros_ignore_spaces:
}
-\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 }
- }
+\cs_new_protected:Npn \chemmacros_nmr_number:n #1
+ { #1 \, \chemmacros_atom:V \g__chemmacros_nmr_element_tl }
-\cs_new:Npn \chemmacros_nmr_position:n #1
+\cs_new_protected:Npn \chemmacros_nmr_position:n #1
{
- \bool_if:NTF \l__chemmacros_bpchem_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
- {
- \chemmacros_chemformula:x { \g__chemmacros_nmr_element_tl _ #1 }
- }
- { \chemmacros_atom:V \g__chemmacros_nmr_element_tl - #1 }
- }
+ \bool_if:NTF \l__chemmacros_nmr_position_sub_bool
+ { \chemmacros_chemformula:x { \g__chemmacros_nmr_element_tl _ #1 } }
+ { \chemmacros_atom:V \g__chemmacros_nmr_element_tl - #1 }
}
\cs_new_protected:Npn \chemmacros_nmr_coupling:w
@@ -2255,14 +2185,14 @@
\__chemmacros_nmr_coupling_aux_i:w
}
-\cs_new:Npn \__chemmacros_nmr_coupling_aux_i:w
+\cs_new_protected:Npn \__chemmacros_nmr_coupling_aux_i:w
{
\peek_meaning:NTF [
{ \__chemmacros_nmr_coupling_aux_ii:w }
{ \__chemmacros_nmr_coupling_aux_iii:n }
}
-\cs_new:Npn \__chemmacros_nmr_coupling_aux_ii:w [#1]#2
+\cs_new_protected:Npn \__chemmacros_nmr_coupling_aux_ii:w [#1]#2
{
\group_begin:
\sisetup
@@ -2278,7 +2208,7 @@
\group_end:
}
-\cs_new:Npn \__chemmacros_nmr_coupling_aux_iii:n #1
+\cs_new_protected:Npn \__chemmacros_nmr_coupling_aux_iii:n #1
{
\group_begin:
\sisetup
@@ -2295,14 +2225,10 @@
\group_end:
}
-% --------------------------------------------------------------------------- %
-% placing text below atom/molecule
-\cs_new_protected:Npn \chemmacros_dim_to_width:Nn #1#2
- {
- \hbox_set:Nn \l__chemmacros_tmpa_box { #2 }
- \dim_set:Nn #1 { \box_wd:N \l__chemmacros_tmpa_box }
- \box_clear:N \l__chemmacros_tmpa_box
- }
+% --------------------------------------------------------------------------
+% placing text below atom/molecule -- only for `mhchem' users or users of
+% version 1
+\cs_new_eq:NN \chemmacros_dim_to_width:Nn \chemformula_dim_to_width:Nn
\bool_new:N \l__chemmacros_mhname_width_bool
\bool_set_false:N \l__chemmacros_mhname_width_bool
@@ -2331,7 +2257,7 @@
}
% \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
{
\NewDocumentCommand \mhName { o m m }
{
@@ -2352,7 +2278,7 @@
#3
}
}
- { \ce { #2 } }
+ { \cf { #2 } }
}
\group_end:
}
@@ -2374,75 +2300,57 @@
space .dim_set:N = \l__chemmacros_phases_space_dim
}
-\cs_new_protected:Npn \chemmacros_declare_phase:Nnn #1#2#3
+\cs_new_protected:Npn \chemmacros_declare_phase:Nn #1#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 }
- \cs_if_free:NTF #1
- { \cs_new:Npn #1 {} }
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
+ \cs_if_free:NF #1
{ \chemmacros_msg:nnxx { chemmacros } { declare-phase } { #1 } {} }
- \tl_if_blank:nTF { #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 }
- \chemmacros_make_phases:
+ \DeclareTranslationFallback { phase-\l__chemmacros_tmpa_tl } { #2 }
+ \__chemmacros_define_phase:Nx #1
+ {
+ \exp_not:N \chemmacros_translate:nn
+ { phase-\l__chemmacros_tmpa_tl }
+ { #2 }
+ }
}
-\cs_new_protected:Npn \chemmacros_renew_phase:Nnn #1#2#3
+\cs_new_protected:Npn \chemmacros_renew_phase:Nn #1#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 }
+ \tl_set:Nx \l__chemmacros_tmpa_tl
+ { \chemmacros_remove_backslash:N #1 }
\cs_if_free:NT #1
{ \chemmacros_msg:nnxx { chemmacros } { renew-phase } { #1 } {} }
- \tl_if_blank:nTF { #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 }
- \chemmacros_make_phases:
+ \DeclareTranslationFallback { phase-\l__chemmacros_tmpa_tl } { #2 }
+ \__chemmacros_define_phase:Nx #1
+ {
+ \exp_not:N \chemmacros_translate:nn
+ { phase-\l__chemmacros_tmpa_tl }
+ { #2 }
+ }
}
\NewDocumentCommand \DeclareChemPhase { mom }
{
\IfNoValueTF { #2 }
- { \chemmacros_declare_phase:Nnn #1 { } { #3 } }
- { \chemmacros_declare_phase:Nnn #1 { #2 } { #3 } }
+ { \chemmacros_declare_phase:Nn #1 { #3 } }
+ { \chemmacros_declare_phase:Nn #1 { #3 } }
}
\NewDocumentCommand \RenewChemPhase { mom }
{
\IfNoValueTF { #2 }
- { \chemmacros_renew_phase:Nnn #1 { } { #3 } }
- { \chemmacros_renew_phase:Nnn #1 { #2 } { #3 } }
- }
-
-\cs_new_protected:Npn \chemmacros_make_phases:
- {
- \bool_if:NTF \l__chemmacros_german_bool
- {
- \prop_map_function:NN \l__chemmacros_phases_german_prop
- \__chemmacros_define_phases:nn
- }
- {
- \prop_map_function:NN \l__chemmacros_phases_prop
- \__chemmacros_define_phases:nn
- }
+ { \chemmacros_renew_phase:Nn #1 { #3 } }
+ { \chemmacros_renew_phase:Nn #1 { #3 } }
}
-\cs_new_protected:Npn \__chemmacros_define_phases:nn #1#2
+\cs_new_protected:Npn \__chemmacros_define_phase:Nn #1#2
{
- \cs_set:cpn { #1 }
+ \cs_set_protected:Npn #1
{
\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) } } } }
}
@@ -2455,13 +2363,14 @@
}
}
}
+\cs_generate_variant:Nn \__chemmacros_define_phase:Nn { Nx }
-\DeclareChemPhase \sld [ f ] { s }
-\DeclareChemPhase \lqd [ f{}l ] { l }
-\DeclareChemPhase \gas { g }
-\DeclareChemPhase \aq { aq }
+\DeclareChemPhase\sld{ s }
+\DeclareChemPhase\lqd{ l }
+\DeclareChemPhase\gas{ g }
+\DeclareChemPhase\aq { aq }
-\cs_new:Npn \chemmacros_phase:n #1
+\cs_new_protected:Npn \chemmacros_phase:n #1
{
\bool_if:NTF \l__chemmacros_phases_sub_bool
{ \ensuremath { \c_math_subscript_token { \text { (#1) } } } }
@@ -2483,29 +2392,42 @@
\cs_new_eq:NN \liquid \lqd
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% reaction environments
+\cs_new_protected:Npn \__chemmacros_record_for_lor:nnnnn #1#2#3#4#5
+ {
+ \tl_if_eq:nnT { #1 } { reaction }
+ {
+ \group_begin:
+ % we need to prevent \Hy@make@anchor from being written to the lor
+ % file:
+ \bool_if:NT \l__chemmacros_hyperref_bool
+ { \cs_set:Npn \Hy@make@anchor {} }
+ \addcontentsline { lor } { reaction }
+ {
+ \tl_use:N \l__chemmacros_reaction_lorname_tl
+ #2 #3 #4 #5
+ \tl_use:N \g__chemmacros_reaction_description_tl
+ }
+ \tl_gclear:N \g__chemmacros_reaction_description_tl
+ \group_end:
+ }
+ }
% redefine mathtools' command \MT_define_tagform:nwnn to ensure we add an
% entry to the list of reactions even if the user redefines the reaction tag
+% this should probably be done via patching...
\AfterPackage* { mathtools }
{
- \cs_set:Npn \MT_define_tagform:nwnn #1[#2]#3#4
+ \cs_set_protected:Npn \MT_define_tagform:nwnn #1[#2]#3#4
{
\@namedef{MT_tagform_#1:n}##1
{
% this is the original part:
\maketag@@@{#3\ignorespaces#2{##1}\unskip\@@italiccorr#4}
- % this is added:
- \tl_if_eq:nnT { #1 } { reaction }
- {
- \addcontentsline { lor } { reaction }
- {
- \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
- }
+ % this is added => this disturbs hyperref:
+ \__chemmacros_record_for_lor:nnnnn
+ { #1 } { #3 } { #2 } { ##1 } { #4 }
}
}
}
@@ -2522,35 +2444,21 @@
{ \chemmacros_add_reaction_description:n { #1 } }
% define \listofreactions
-\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 }
+\tl_new:N \l__chemmacros_reaction_lorname_tl
+\tl_new:N \reactionlistname
-% language settings % TODO
-\AtBeginDocument
+% TODO: add option
+\cs_new:Npn \__chemmacros_reaction_heading:n #1
+ { \section* { #1 } }
+\cs_generate_variant:Nn \__chemmacros_reaction_heading:n { V }
+
+\cs_new_protected:Npn \listofreactions
{
- \bool_if:NT \l__chemmacros_german_bool
- {
- \tl_set:Nn \reactionlistname { Reaktionsverzeichnis }
- \tl_set:Nn \l__chemmacros_reaction_lorname_tl { Reaktion ~ }
- }
- \bool_if:NT \l__chemmacros_italian_bool
- {
- \tl_set:Nn \reactionlistname { Elenco ~ delle ~ reazioni }
- \tl_set:Nn \l__chemmacros_reaction_lorname_tl { Reazione ~ }
- }
- \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 ~ }
- }
+ \__chemmacros_reaction_heading:V \reactionlistname
+ \@starttoc { lor }
}
-\cs_new:Npn \listofreactions
- { \section* { \reactionlistname } \@starttoc { lor } }
-
-\cs_new:Npn \l@reaction #1#2
+\cs_new_protected:Npn \l@reaction #1#2
{ \@dottedtocline { 1 } { 1.5em } { 2.3em } { #1 } { #2 } }
% create tagform
@@ -2561,7 +2469,7 @@
\newcounter { reaction }
% switch to reaction tags
-\cs_new:Npn \__chemmacros_begin_reaction:
+\cs_new_protected:Npn \__chemmacros_begin_reaction:
{
% create individual names for `hyperref':
\bool_if:NT \l__chemmacros_hyperref_bool
@@ -2580,7 +2488,7 @@
}
% switch back to equation tags
-\cs_new:Npn \__chemmacros_end_reaction:
+\cs_new_protected:Npn \__chemmacros_end_reaction:
{
\setcounter { reaction } { \value { equation } }
\setcounter { equation } { \value { chemmacros_save_reaction } }
@@ -2592,88 +2500,85 @@
\keys_define:nn { chemmacros / reaction }
{
- star .bool_set:N = \l__chemmacros_reactions_star_bool ,
- star .default:n = true ,
- 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 ~ }
+ star .bool_set:N = \l__chemmacros_reactions_star_bool ,
+ star .default:n = true ,
+ 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 ~ } ,
+ list-heading .code:n =
+ \cs_set:Npn \__chemmacros_reaction_heading:n ##1 { #1 { ##1 } }
}
-% TODO separate document and module level
% \DeclareChemReaction[<keyval>]{<name>}{<type>}
-\bool_if:NF \l__chemmacros_version_one_bool
+\cs_new_protected:Npn \chemmacros_new_reaction:nnn #1#2#3
{
- \NewDocumentCommand \DeclareChemReaction { o m m }
- {
- \cs_if_exist:cTF { #2 }
- { \msg_error:nnx { chemmacros } { already-defined } { #2 } }
- {
- \IfNoValueTF { #1 }
- {
- \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
- {
- \NewEnviron { #2 } [ 2 ] []
- {
- \__chemmacros_begin_reaction:
- \AddRxnDesc { ##1 }
- \begin { #3 } { ##2 }
- \chemmacros_equation_chemformula:V \BODY
- \end{ #3 }
- \__chemmacros_end_reaction:
- }
- \bool_if:NT \l__chemmacros_reactions_star_bool
- {
- \NewEnviron { #2* } [ 1 ]
- {
- \begin { #3* } { ##1 }
- \chemmacros_equation_chemformula:V \BODY
- \end { #3* }
- }
- }
- }
- {
- \NewEnviron { #2 } [ 1 ] []
- {
- \__chemmacros_begin_reaction:
- \AddRxnDesc { ##1 }
- \begin { #3 }
- \chemmacros_equation_chemformula:V \BODY
- \end { #3 }
- \__chemmacros_end_reaction:
- }
- \bool_if:NT \l__chemmacros_reactions_star_bool
- {
- \NewEnviron { #2* }
- {
- \begin { #3* }
- \chemmacros_equation_chemformula:V \BODY
- \end { #3* }
- }
- }
- }
- }
- \ignorespaces
- }
- \cs_set:Npn \newreaction
+ \cs_if_exist:cTF { #2 }
+ { \msg_error:nnx { chemmacros } { already-defined } { #2 } }
{
- \chemmacros_msg:nnxx { chemmacros } { command-deprecated }
- { \newreaction } { \DeclareChemReaction }
- \DeclareChemReaction
+ \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
+ {
+ \NewEnviron { #2 } [ 2 ] []
+ {
+ \__chemmacros_begin_reaction:
+ \AddRxnDesc { ##1 }
+ \begin { #3 } { ##2 }
+ \chemmacros_equation_chemformula:V \BODY
+ \end{ #3 }
+ \__chemmacros_end_reaction:
+ }
+ \bool_if:NT \l__chemmacros_reactions_star_bool
+ {
+ \NewEnviron { #2* } [ 1 ]
+ {
+ \begin { #3* } { ##1 }
+ \chemmacros_equation_chemformula:V \BODY
+ \end { #3* }
+ }
+ }
+ }
+ {
+ \NewEnviron { #2 } [ 1 ] []
+ {
+ \__chemmacros_begin_reaction:
+ \AddRxnDesc { ##1 }
+ \begin { #3 }
+ \chemmacros_equation_chemformula:V \BODY
+ \end { #3 }
+ \__chemmacros_end_reaction:
+ }
+ \bool_if:NT \l__chemmacros_reactions_star_bool
+ {
+ \NewEnviron { #2* }
+ {
+ \begin { #3* }
+ \chemmacros_equation_chemformula:V \BODY
+ \end { #3* }
+ }
+ }
+ }
}
+ \ignorespaces
}
-\cs_new:Npn \chemmacros_equation_chemformula:n #1
+\bool_if:NF \l__chemmacros_version_one_bool
{
- \bool_if:NTF \l__chemmacros_use_mhchem_bool
- { \cee { #1 } }
- { \ch { #1 } }
+ \NewDocumentCommand \DeclareChemReaction { o m m }
+ {
+ \IfNoValueTF { #1 }
+ { \chemmacros_new_reaction:nnn { } { #2 } { #3 } }
+ { \chemmacros_new_reaction:nnn { #1 } { #2 } { #3 } }
+ }
+ \DeclareChemDeprecated \newreaction \DeclareChemReaction
+ { \DeclareChemReaction }
}
+
+\cs_new_protected:Npn \chemmacros_equation_chemformula:n #1
+ { \chemformula_ch:nn { } { #1 } }
\cs_generate_variant:Nn \chemmacros_equation_chemformula:n { V }
% predefined:
@@ -2683,43 +2588,44 @@
\DeclareChemReaction [ star ] { reactions } { align }
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% thermodynamics et.al.
% \standardstate as defined by the chemstyle package. Thanks to Joseph Wright
-\cs_if_exist:NF \standardstate
+% the `chemstyle' provides it with \providecommand so it doesn't matter which
+% package defines it first
+\ProvideDocumentCommand \standardstate {}
+ { \ensuremath { \chemmacros_standardstate: } }
+
+\cs_new_protected:Npn \chemmacros_standardstate:
+ { \mathpalette \chemmacros_standardstate_aux: \circ }
+
+\cs_new_protected:Npn \chemmacros_standardstate_aux: #1#2
{
- \cs_new:Npn \standardstate
- { \ensuremath { \chemmacros_standardstate: } }
- \cs_new:Npn \chemmacros_standardstate:
- { \mathpalette \chemmacros_standardstate_aux: \circ }
- \cs_new:Npn \chemmacros_standardstate_aux: #1#2
+ \ooalign
{
- \ooalign
- {
- \tex_hfil:D
- $#1-$
- \tex_hfil:D
- \tex_cr:D
- \tex_hfil:D
- $#1#2$
- \tex_hfil:D
- \tex_cr:D
- }
+ \tex_hfil:D
+ $#1-$
+ \tex_hfil:D
+ \tex_cr:D
+ \tex_hfil:D
+ $#1#2$
+ \tex_hfil:D
+ \tex_cr:D
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% \State
-\tl_new:N \l__chemmacros_State_delta_tl
-\tl_set:Nn \l__chemmacros_State_delta_tl { \Delta }
-\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 }
+\tl_new:N \l__chemmacros_State_exponent_tl
+\tl_set:Nn \l__chemmacros_State_exponent_tl { \standardstate }
-\bool_new:N \l__chemmacros_State_delta_bool
+\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_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_new:N \l__chemmacros_State_exponent_bool
\bool_set_true:N \l__chemmacros_State_exponent_bool
\keys_define:nn { chemmacros / state }
@@ -2752,7 +2658,7 @@
% old syntax (v2.0):
% \State[<keyval>]{<Symbol>}{<subscript>}
% {<subscript>} is an optional argument!
-\cs_new:Npn \chemmacros_state:nnn #1#2#3
+\cs_new_protected:Npn \chemmacros_state:nnn #1#2#3
{
\group_begin:
\IfNoValueF { #1 }
@@ -2788,7 +2694,7 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
\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
@@ -2829,7 +2735,7 @@
% \DeclareChemState[<keyval>]{<name>}{<symbol>}{<unit>}
\bool_if:NF \l__chemmacros_version_one_bool
{
- \cs_new:Npn \DeclareChemState
+ \cs_new_protected:Npn \DeclareChemState
{
\bool_set_false:N \l__chemmacros_renewstate_bool
\__chemmacros_setnewstate_reset:
@@ -2838,7 +2744,7 @@
{ \__chemmacros_setnewstate_aux:nnn }
}
% \RenewChemState[<keyval>]{<name>}{<symbol>}{<unit>}
- \cs_new:Npn \RenewChemState
+ \cs_new_protected:Npn \RenewChemState
{
\bool_set_true:N \l__chemmacros_renewstate_bool
\__chemmacros_setnewstate_reset:
@@ -2846,13 +2752,13 @@
{ \__chemmacros_setnewstate:n }
{ \__chemmacros_setnewstate_aux:nnn }
}
- \cs_set:Npn \setnewstate
+ \cs_set_protected:Npn \setnewstate
{
\chemmacros_msg:nnxx { chemmacros } { command-deprecated }
{ \setnewstate } { \DeclareChemState }
\DeclareChemState
}
- \cs_set:Npn \renewstate
+ \cs_set_protected:Npn \renewstate
{
\chemmacros_msg:nnxx { chemmacros } { command-deprecated }
{ \renewstate } { \RenewChemState }
@@ -2860,7 +2766,7 @@
}
}
-\cs_new:Npn \__chemmacros_setnewstate_reset:
+\cs_new_protected:Npn \__chemmacros_setnewstate_reset:
{
\tl_set:Nn \l__chemmacros_thermod_subscript_left_default_tl { true }
\tl_clear:N \l__chemmacros_thermod_subscript_default_tl
@@ -2868,13 +2774,13 @@
\tl_set:Nn \l__chemmacros_thermod_delta_default_tl { \Delta }
}
-\cs_new:Npn \__chemmacros_setnewstate:n [#1]
+\cs_new_protected:Npn \__chemmacros_setnewstate:n [#1]
{
\keys_set:nn { chemmacros / setnewstate } { #1 }
\__chemmacros_setnewstate_aux:nnn
}
-\cs_new:Npn \__chemmacros_setnewstate_aux:nnn #1#2#3
+\cs_new_protected:Npn \__chemmacros_setnewstate_aux:nnn #1#2#3
{
\bool_if:NTF \l__chemmacros_renewstate_bool
{
@@ -2911,7 +2817,7 @@
\tl_const:cn
{ l__chemmacros_ #1 _unit_tl }
{ #3 }
- \cs_new:cpn {chemmacros_ #1 _reset: }
+ \cs_new_protected:cpn {chemmacros_ #1 _reset: }
{
\tl_set_eq:Nc
\l__chemmacros_thermod_subscript_tl
@@ -2929,7 +2835,7 @@
\l__chemmacros_thermod_unit_tl
{ l__chemmacros_ #1 _unit_tl }
}
- \cs_new:cpn { #1 }
+ \cs_new_protected:cpn { #1 }
{
\use:c {chemmacros_ #1 _reset: }
\peek_meaning:NTF [
@@ -2940,19 +2846,19 @@
{ \tl_use:c { #1 _aux_iii:n } }
}
}
- \cs_new:cpn { #1 _aux_i:n } [##1]
+ \cs_new_protected:cpn { #1 _aux_i:n } [##1]
{
\keys_set:nn { chemmacros / State } { ##1 }
\peek_meaning:NTF (
{ \tl_use:c { #1 _aux_ii:n } }
{ \tl_use:c { #1 _aux_iii:n } }
}
- \cs_new:cpn { #1 _aux_ii:n } (##1)
+ \cs_new_protected:cpn { #1 _aux_ii:n } (##1)
{
\tl_set:Nn \l__chemmacros_thermod_subscript_tl { ##1 }
\tl_use:c { #1 _aux_iii:n }
}
- \cs_new:cpn { #1 _aux_iii:n } ##1
+ \cs_new_protected:cpn { #1 _aux_iii:n } ##1
{
\ensuremath
{
@@ -3000,21 +2906,21 @@
{G} {\kilo\joule\per\mole}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% 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_scale_fp
-\fp_set:Nn \l__chemmacros_newman_scale_fp { 1 }
-\fp_new:N \l__chemmacros_newman_x_fp
-\fp_new:N \l__chemmacros_newman_y_fp
-
-\tl_new:N \l__chemmacros_newman_tikz_ring_tl
-\tl_new:N \l__chemmacros_newman_tikz_front_tl
-\tl_new:N \l__chemmacros_newman_tikz_back_tl
+\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_x_fp
+\fp_new:N \l__chemmacros_newman_y_fp
+
+\tl_new:N \l__chemmacros_newman_tikz_ring_tl
+\tl_new:N \l__chemmacros_newman_tikz_front_tl
+\tl_new:N \l__chemmacros_newman_tikz_back_tl
\bool_new:N \l__chemmacros_newman_tikz_back_bool
@@ -3050,7 +2956,7 @@
% place atoms:
% #1: angle
% #2 - #7: atoms
-\cs_new:Npn \chemmacros_newman_atoms:nnnnnnn #1#2#3#4#5#6#7
+\cs_new_protected:Npn \chemmacros_newman_atoms:nnnnnnn #1#2#3#4#5#6#7
{
\tl_if_blank:nTF { #1 }
{
@@ -3107,14 +3013,14 @@
% #2: fp variable for y
% #3: angle
% #4: radius
-\cs_new:Npn \chemmacros_polar_to_cartesian:NNnn #1#2#3#4
+\cs_new_protected:Npn \chemmacros_polar_to_cartesian:NNnn #1#2#3#4
{
\fp_set:Nn #1 { #4 * cos( #3 / 180 * pi ) }% x
\fp_set:Nn #2 { #4 * sin( #3 / 180 * pi ) }% y
}
% place back nodes
-\cs_new:Npn \chemmacros_newman_back_node:nn #1#2
+\cs_new_protected:Npn \chemmacros_newman_back_node:nn #1#2
{
\group_begin:
\fp_add:Nn \l__chemmacros_newman_rel_angle_fp { #1 }
@@ -3155,7 +3061,7 @@
\cs_generate_variant:Nn \chemmacros_newman_back_node:nn { nf }
% place front nodes:
-\cs_new:Npn \chemmacros_newman_front_node:nn #1#2
+\cs_new_protected:Npn \chemmacros_newman_front_node:nn #1#2
{
\chemmacros_polar_to_cartesian:NNnn
\l__chemmacros_newman_x_fp
@@ -3185,27 +3091,27 @@
}
\cs_generate_variant:Nn \chemmacros_newman_front_node:nn { nf }
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% \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_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_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_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_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_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
+\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 }
@@ -3260,9 +3166,9 @@
{ opacity = { \fp_use:N \l__chemmacros_orbital_opacity_fp } }
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% s-orbitals
-\cs_new:Npn \__chemmacros_orbital_type_s:
+\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
@@ -3282,7 +3188,7 @@
color .tl_set:N = \l__chemmacros_orbital_s_color_tl
}
-\cs_new:Npn \__chemmacros_orbital_s_draw:n #1
+\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
@@ -3309,9 +3215,9 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% p-orbitals
-\cs_new:Npn \__chemmacros_orbital_type_p:
+\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
@@ -3334,7 +3240,7 @@
half .default:n = true
}
-\cs_new:Npn \__chemmacros_orbital_p_draw:n #1
+\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
@@ -3405,9 +3311,9 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% sp-orbitals
-\cs_new:Npn \__chemmacros_orbital_type_sp:
+\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
@@ -3428,7 +3334,7 @@
color .tl_set:N = \l__chemmacros_orbital_sp_color_tl
}
-\cs_new:Npn \__chemmacros_orbital_sp_draw:n #1
+\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
@@ -3496,9 +3402,9 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% sp2-orbitals
-\cs_new:Npn \__chemmacros_orbital_type_sptwo:
+\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
@@ -3519,7 +3425,7 @@
color .tl_set:N = \l__chemmacros_orbital_sptwo_color_tl
}
-\cs_new:Npn \__chemmacros_orbital_sptwo_draw:n #1
+\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
@@ -3587,9 +3493,9 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% sp3-orbitals
-\cs_new:Npn \__chemmacros_orbital_type_spthree:
+\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
@@ -3610,7 +3516,7 @@
color .tl_set:N = \l__chemmacros_orbital_spthree_color_tl
}
-\cs_new:Npn \__chemmacros_orbital_spthree_draw:n #1
+\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
@@ -3678,7 +3584,7 @@
}
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% main command
\keys_define:nn { chemmacros / orbital }
{
@@ -3702,7 +3608,7 @@
sp3 .code:n = { \__chemmacros_orbital_type_spthree: }
}
-\cs_new:Npn \chemmacros_orbital:n #1
+\cs_new_protected:Npn \chemmacros_orbital:n #1
{
\bool_if:NT \l__chemmacros_orbital_type_s_bool
{ \__chemmacros_orbital_s_draw:n { #1 } }
@@ -3726,7 +3632,7 @@
\group_end:
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% arrow tips for electron movement
\dim_new:N \l__chemmacros_el_length_dim
@@ -3815,22 +3721,30 @@
\pgfusepathqfillstroke
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% setup
\NewDocumentCommand \chemsetup { o m }
{
\IfNoValueTF { #1 }
{ \keys_set:nn { chemmacros } { #2 } }
- { \keys_set:nn { chemmacros / #1 } { #2 } }
+ {
+ \bool_if:NTF \l__chemmacros_version_four_bool
+ {
+ \tl_if_eq:nnTF { #1 } { chemformula }
+ { \setchemformula { #2 } }
+ { \keys_set:nn { chemmacros / #1 } { #2 } }
+ }
+ { \keys_set:nn { chemmacros / #1 } { #2 } }
+ }
\ignorespaces
}
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% load old definitions:
\bool_if:NT \l__chemmacros_version_one_bool
{ \file_input:n { chemmacros-version1 . cfg } }
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
% hyperref support
% ?? unsure about adding IUPAC commands
\AfterPackage* { hyperref }
@@ -3839,15 +3753,72 @@
{
\cs_set:Npn \- { - }% myabe not a good idea...
\cs_set:Npn \| { }
- \cs_set:Npn \iupac #1 { #1 }
\cs_set:Npn \pH { pH }
\cs_set:Npn \pOH { pOH }
- }
+ \cs_set:Npn \iupac #1 { #1 }
+ % \cs_set:Npn \a { alpha }
+ % \cs_set:Npn \g { gamma }
+ % \cs_set:Npn \d { delta }
+ % \cs_set:Npn \m { mu }
+ % \cs_set:Npn \n { eta }
+ % \cs_set:Npn \w { omega }
+ % \cs_set:Npn \N { N }
+ % \cs_set:Npn \O { O }
+ % \cs_set:Npn \Sf { S }
+ % \cs_set:Npn \P { P }
+ % \cs_set:Npn \R { (R) }
+ \cs_set:Npn \cip #1 { (#1) }
+ % \cs_set:Npn \E { (E) }
+ % \cs_set:Npn \Z { (Z) }
+ \cs_set:Npn \cis { cis }
+ \cs_set:Npn \trans { trans }
+ \cs_set:Npn \tert { tert }
+ % \cs_set:Npn \D { D }
+ \cs_set:Npn \ortho { o }
+ \cs_set:Npn \meta { m }
+ \cs_set:Npn \para { p }
+ \cs_set:Npn \syn { syn }
+ \cs_set:Npn \anti { anti }
+ }
+ }
+
+% --------------------------------------------------------------------------
+% language support -- provided through `translations'
+% equilibrium constants:
+\DeclareTranslationFallback{K-acid}{A}
+\DeclareTranslationFallback{K-base}{B}
+\DeclareTranslationFallback{K-water}{W}
+\DeclareTranslation{German}{K-acid}{S}
+% phases:
+\DeclareTranslation{German}{phase-sld}{ f }
+\DeclareTranslation{German}{phase-lqd}{ f{}l }
+% list of reactions:
+\DeclareTranslationFallback {list-of-reactions} { List ~ of ~ reactions }
+\DeclareTranslation{English} {list-of-reactions} { List ~ of ~ reactions }
+\DeclareTranslation{German} {list-of-reactions} { Reaktionsverzeichnis }
+\DeclareTranslation{Italian} {list-of-reactions} { Elenco ~ delle ~ reazioni }
+\DeclareTranslation{French} {list-of-reactions} { Table ~ des ~ r\'eactions }
+%
+\DeclareTranslationFallback {lor-reaction} { Reaction ~ }
+\DeclareTranslation{English} {lor-reaction} { Reaction ~ }
+\DeclareTranslation{German} {lor-reaction} { Reaktion ~ }
+\DeclareTranslation{Italian} {lor-reaction} { Reazione ~ }
+\DeclareTranslation{French} {lor-reaction} { R\'eaction ~ }
+
+\tl_set:Nn \l__chemmacros_reaction_lorname_tl
+ {
+ \chemmacros_translate:nn
+ {lor-reaction} { Reaction ~ }
+ }
+\tl_set:Nn \reactionlistname
+ {
+ \chemmacros_translate:nn
+ {list-of-reactions} { List ~ of ~ reactions }
}
\tex_endinput:D
-% --------------------------------------------------------------------------- %
+% --------------------------------------------------------------------------
Version history
2011/05/15 - version 1.0 - CTAN release
2011/06/22 - version 1.1 - "LaTeXified" whole package for safer usage
@@ -4005,11 +3976,39 @@ Version history
2013/04/19 - version 3.6b - chemformula: new key `arrow-min-length'
- bug fix: stoichiometric fractions correctly displayed
- changed appearance of \cip to use upright parentheses
+2013/07/06 - version 4.0 - `chemformula' doesn't automatically load
+ `chemmacros' any more but can be used stand-alone
+ - option `bpchem' has been dropped
+ - improved detection of bold font series
+ - changed wrongly used \mbox in definition of \Ka,
+ \Kb and \Kw into \ensuremath
+ - adapt \mch and \pch to match `chemformula's
+ charges
+ - dropped option `method=mhchem'
+ - support for `kpfonts' and `newtxmath' upright
+ greek letters added, greek alphabet complete both
+ for uppercase and lowercase; this is handled by
+ the new package in the family: `chemgreek'
+ - \OX and \redox now work in `amsmath's environment
+ by ignoring the measuring phase
+ - language management with the halp of the
+ `translations' package =>
+ recognize document language automatically and use
+ it if it a) is known to `chemmacros' and b) has
+ not been overwritten by the `language' option;
+ this also made minor changes to `ghsystem'
+ necessary; additionally this lead to changes in
+ the way phases are defined
+ - status of \Dfi and \Lfi changed from `deprecated'
+ to `dropped'
+ - new option `charges/partial-format'
+ - fixed wrongly written contents to the lor when
+ used together with `hyperref'
+ - new option `reaction/list-heading'
+ - option `charges/append' deprecated
+
% --------------------------------------------------------------------------- %
-% TODO:
-- ox-option xfrac vs math?
-- drop option `bpchem'
+% TODO: fuer version 4
- add d-orbitals
-- add kpfonts to `greek' option so \Chemalpha and kin use \alphaup ... of kpfonts
- package \ No newline at end of file
+- make electron movement arrow tips (`el', `left el' and `right el') public