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authorKarl Berry <karl@freefriends.org>2015-10-02 22:14:39 +0000
committerKarl Berry <karl@freefriends.org>2015-10-02 22:14:39 +0000
commitba91bf4ca1852ac736c34a150b2444a677bbe6a5 (patch)
treeeac87a235af7f43217b76a014f6b5a2b302241f4 /Master/texmf-dist/tex
parent02c2f6728f93ebf72e1a66357cb7ff82e6a75a9b (diff)
chemformula (2oct15)
git-svn-id: svn://tug.org/texlive/trunk@38529 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/tex')
-rw-r--r--Master/texmf-dist/tex/latex/chemformula/chemformula.sty510
1 files changed, 259 insertions, 251 deletions
diff --git a/Master/texmf-dist/tex/latex/chemformula/chemformula.sty b/Master/texmf-dist/tex/latex/chemformula/chemformula.sty
index c5e7a7a88be..8507914cd2c 100644
--- a/Master/texmf-dist/tex/latex/chemformula/chemformula.sty
+++ b/Master/texmf-dist/tex/latex/chemformula/chemformula.sty
@@ -30,13 +30,13 @@
\usetikzlibrary{arrows.meta}
\ExplSyntaxOn
-\tl_const:Nn \c_chemformula_date_tl {2015/09/08}
-\tl_const:Nn \c_chemformula_version_number_tl {4.12}
-\tl_const:Nn \c_chemformula_version_suffix_tl {b}
+\tl_const:Nn \c_chemformula_date_tl {2015/10/01}
+\tl_const:Nn \c_chemformula_version_number_tl {4.13}
+\tl_const:Nn \c_chemformula_version_suffix_tl {}
\tl_const:Nx \c_chemformula_version_tl
{ \c_chemformula_version_number_tl \c_chemformula_version_suffix_tl }
\tl_const:Nn \c_chemformula_info_tl
- {typeset chemical compounds and reactions}
+ {typeset~ chemical~ compounds~ and~ reactions}
\ProvidesExplPackage
{chemformula}
@@ -133,56 +133,24 @@
{
\cs_new_protected:Npn #1
{
- \msg_warning:nnnn {chemformula} { command-deprecated }
+ \msg_warning:nnnn {chemformula} {command-deprecated}
{#1} {#2}
#3
}
}
-% #1: deprecated macro
-% #2: replacement macro
-% #3: code
-\NewDocumentCommand \DeprecatedFormulaCommand { mmm }
- { \chemformula_define_deprecated:NNn #1 #2 {#3} }
-
-\cs_new_protected:Npn \chemformula_new_macroset:nnn #1#2#3
- {
- \exp_args:Nc \NewDocumentCommand {NewChem#1} {#2}
- {
- \cs_if_free:NTF ##1
- { #3 }
- { \msg_error:nnn {chemformula} {new-#1} {##1} }
- }
- \exp_args:Nc \NewDocumentCommand {RenewChem#1} {#2}
- {
- \cs_if_free:NTF ##1
- { \msg_error:nnn {chemformula} {renew-#1} {##1} }
- { #3 }
- }
- \exp_args:Nc \NewDocumentCommand {DeclareChem#1} {#2} {#3}
- \exp_args:Nc \NewDocumentCommand {ProvideChem#1} {#2}
- { \cs_if_free:NT ##1 { #3 } }
- \msg_new:nnn {chemformula} {new-#1}
- {
- You've~ tried~ to~ define~ a~ #1~ with~ \token_to_str:N
- \NewChem #1 ,~ but~ the~ command~ sequence~ \token_to_str:N ##1
- \c_space_tl already~ exists.~ Please~ choose~ another~ name.
- }
- \msg_new:nnn {chemformula} {renew-#1}
- {
- You've~ tried~ to~ renew~ the~ #1~ \token_to_str:N ##1 ,~ but~
- it~ doesn't~ exist.
- }
- }
-
% --------------------------------------------------------------------------
% variants of kernel functions:
-\cs_generate_variant:Nn \keys_set:nn { nV }
-\cs_generate_variant:Nn \tl_if_blank:nF { V }
-\cs_generate_variant:Nn \tl_if_in:nnT { x , nV }
-\cs_generate_variant:Nn \prop_get:Nn { NV }
-\cs_generate_variant:Nn \tl_set_rescan:Nnn { NnV }
-\cs_generate_variant:Nn \dim_set:Nn { NV }
+\cs_generate_variant:Nn \keys_set:nn { nV }
+\cs_generate_variant:Nn \tl_if_blank:nF { V }
+\cs_generate_variant:Nn \tl_if_in:nnT { x , nV }
+\cs_generate_variant:Nn \tl_set:Nn { cV }
+\cs_generate_variant:Nn \tl_replace_all:Nnn { NV }
+\cs_generate_variant:Nn \tl_set_rescan:Nnn { NnV }
+\cs_generate_variant:Nn \prop_get:Nn { NV }
+\cs_generate_variant:Nn \dim_set:Nn { NV }
+\cs_generate_variant:Nn \skip_set:Nn { cV }
+\cs_generate_variant:Nn \str_if_eq:nnT { V }
% --------------------------------------------------------------------------
% VARIABLES
@@ -200,15 +168,15 @@
\box_new:N \l__chemformula_tmpa_box
\box_new:N \l__chemformula_tmpb_box
-\seq_new:N \l__chemformula_tmpa_seq
+\seq_new:N \l__chemformula_tmpa_seq
% booleans:
-% this one is officially used to detect wether we're in \ch or not:
+% these are official:
\bool_new:N \l_chemformula_inside_ch_bool
-% those are private:
\bool_new:N \l_chemformula_formal_charges_bool
\bool_new:N \l_chemformula_formal_chem_bool
\bool_set_true:N \l_chemformula_formal_chem_bool
+% those are private:
\bool_new:N \l__chemformula_options_bool
\bool_new:N \l__chemformula_is_option_bool
\bool_new:N \l__chemformula_stoich_bool
@@ -341,11 +309,11 @@
\tl_new:N \l__chemformula_font_shape_tl
\tl_set_eq:NN \l__chemformula_font_shape_tl \f@shape
\tl_new:N \l__chemformula_format_tl
+\tl_new:N \l__chemformula_atom_format_tl
\tl_new:N \l__chemformula_fontspec_options_tl
\tl_new:N \l__chemformula_fontspec_argument_tl
\tl_new:N \l__chemformula_name_format_tl
\tl_set:Nn \l__chemformula_name_format_tl { \scriptsize\centering }
-\tl_new:N \l_chemormula_sup_super_factor_tl
\tl_new:N \l__chemformula_subscript_shift_additional_tl
\tl_set:Nn \l__chemformula_subscript_shift_additional_tl { 0pt }
\tl_new:N \l__chemformula_superscript_shift_additional_tl
@@ -357,7 +325,7 @@
\tl_set:Nn \l__chemformula_elspec_radius_tl { .5ex }
\tl_new:N \l__chemformula_elspec_default_type_tl
\tl_set:Nn \l__chemformula_elspec_default_type_tl { pair }
-\tl_const:Nx \c_chemformula_colon_tl { \token_to_str:N : }
+\tl_const:Nx \c__chemformula_colon_tl { \token_to_str:N : }
\tl_new:N \l__chemformula_kroegervink_positive_style_tl
\tl_new:N \l__chemformula_kroegervink_neutral_tl
\tl_set:Nn \l__chemformula_kroegervink_neutral_tl { $\times$ }
@@ -385,32 +353,32 @@
% --------------------------------------------------------------------------
% general and helper functions:
-\cs_new:Npn \chemformula_tikz:nn #1#2
+\cs_new_protected:Npn \chemformula_tikz:nn #1#2
{ \tikz [ #1 ] {#2} }
\cs_generate_variant:Nn \chemformula_tikz:nn { xn,nf }
-\cs_new:Npn \chemformula_draw:nn #1#2
+\cs_new_protected:Npn \chemformula_draw:nn #1#2
{ \draw [ #1 ] #2 ; }
\cs_generate_variant:Nn \chemformula_draw:nn { xn,nx,xx,xf,Vn }
-\cs_new:Npn \chemformula_node:nn #1#2
+\cs_new_protected:Npn \chemformula_node:nn #1#2
{ \node [ #1 ] {#2} ; }
\cs_generate_variant:Nn \chemformula_node:nn { x }
-\cs_new:Npn \chemformula_node:nnn #1#2#3
+\cs_new_protected:Npn \chemformula_node:nnn #1#2#3
{ \node [ #1 ] ( #2 ) {#3} ; }
\cs_generate_variant:Nn \chemformula_node:nnn { nx }
-\cs_new:Npn \chemformula_allow_break:
+\cs_new_protected:Npn \chemformula_allow_break:
{ \tex_penalty:D \c_zero }
\cs_new_protected:Npn \chemformula_leave_vmode:
{ \hbox_unpack:N \c_empty_box }
-\cs_new:Npn \chemformula_nobreak:
+\cs_new_protected:Npn \chemformula_nobreak:
{ \tex_penalty:D \c_ten_thousand }
-\cs_new:Npn \chemformula_skip_nobreak:N #1
+\cs_new_protected:Npn \chemformula_skip_nobreak:N #1
{
\chemformula_nobreak:
\skip_horizontal:N #1
@@ -425,8 +393,6 @@
\tex_penalty:D #2 \scan_stop:
}
\cs_generate_variant:Nn \chemformula_skip_nobreak_penalty:Nn {c}
-% \binoppenalty=\maxdimen
-% \relpenalty=\maxdimen
\cs_new_protected:Npn \chemformula_dim_to_width:Nn #1#2
{
@@ -435,12 +401,6 @@
\box_clear:N \l__chemformula_tmpa_box
}
-% an l3 conditional that can test 2e's conditionals that go like
-% \iffoo ... \else ... \fi
-% see http://tex.stackexchange.com/a/119806/5049
-\prg_new_conditional:Npnn \chemformula_latex_if:n #1 {p,T,F,TF}
- { \use:c { if #1 } \prg_return_true: \else: \prg_return_false: \fi: }
-
% --------------------------------------------------------------------------
% prevent externalisation of tikz parts of the formulae:
\AtBeginDocument { \providecommand \tikzexternaldisable {} }
@@ -462,10 +422,10 @@
\cs_new_protected:Npn \chemformula_fplus:
{ \ensuremath { \__chemformula_fplus: } }
-\cs_new:Npn \__chemformula_fplus:
+\cs_new_protected:Npn \__chemformula_fplus:
{ \mathpalette \__chemformula_fplus_aux: \bigcirc }
-\cs_new:Npn \__chemformula_fplus_aux: #1#2
+\cs_new_protected:Npn \__chemformula_fplus_aux: #1#2
{
\ooalign
{
@@ -486,10 +446,10 @@
\cs_new_protected:Npn \chemformula_fminus:
{ \ensuremath { \__chemformula_fminus: } }
-\cs_new:Npn \__chemformula_fminus:
+\cs_new_protected:Npn \__chemformula_fminus:
{ \mathpalette \__chemformula_fminus_aux_aux: \bigcirc }
-\cs_new:Npn \__chemformula_fminus_aux_aux: #1#2
+\cs_new_protected:Npn \__chemformula_fminus_aux_aux: #1#2
{
\ooalign
{
@@ -605,7 +565,7 @@
radical-space .dim_set:N = \l__chemformula_radical_space_dim
}
-\cs_new:Npn \chemformula_adduct:
+\cs_new_protected:Npn \chemformula_adduct:
{
\skip_horizontal:N \l__chemformula_adduct_space_dim
\textperiodcentered
@@ -647,7 +607,7 @@
\skip_horizontal:N \l__chemformula_kroegervink_positive_space_dim
}
-\cs_new:Npn \chemformula_prime:
+\cs_new_protected:Npn \chemformula_prime:
{
\bool_if:NTF \l__chemformula_kroegervink_bool
{ \chemformula_kroegervink_negative: }
@@ -817,8 +777,7 @@
% define arrow types
% read arrow labels:
-
-\cs_new:Npn \chemformula_arrow_labels:nn #1#2
+\cs_new_protected:Npn \__chemformula_arrow_labels:nn #1#2
{
\hbox_set:Nn \l__chemformula_arrow_arg_i_box
{ \tl_use:N \l__chemformula_arrow_label_style_tl #1 }
@@ -848,12 +807,12 @@
\group_begin:
\chemformula_tikzexternaldisable:
\__chemformula_arrows_get:n {#1}
- \chemformula_arrow_labels:nn {#2} {#3}
+ \__chemformula_arrow_labels:nn {#2} {#3}
\group_end:
}
% draw the arrows
-\cs_new:Npn \__chemformula_arrow_draw:n #1
+\cs_new_protected:Npn \__chemformula_arrow_draw:n #1
{
\chemformula_nobreak:
% prepare arrow code for drawing:
@@ -1053,39 +1012,41 @@
\cs_new_protected:Npn \__chemformula_ch_main:n #1
{
\group_begin:
- \tl_set:Nn \l__chemmacros_tmpa_tl {#1}
- \tl_trim_spaces:N \l__chemmacros_tmpa_tl
- \seq_set_split:NnV \l__chemformula_input_seq { ~ } \l__chemmacros_tmpa_tl
- \cs_set_eq:NN \xspace \scan_stop:
- % the next two aren't necessary any more but shouldn't do harm, too:
- \cs_set_nopar:Npn \[ { [ }
- \cs_set_nopar:Npn \] { ] }
- \bool_set_true:N \l_chemformula_inside_ch_bool
- \tl_if_blank:VF \g__chemformula_options_tl
+ % abort if `#1' is blank:
+ \tl_if_blank:nF {#1}
{
- \keys_set:nV
- {chemformula}
- \g__chemformula_options_tl
+ \tl_set:Nn \l__chemmacros_tmpa_tl {#1}
+ \tl_trim_spaces:N \l__chemmacros_tmpa_tl
+ \seq_set_split:NnV \l__chemformula_input_seq {~} \l__chemmacros_tmpa_tl
+ % remove empty items in order to avoid unnecessary processing:
+ \seq_remove_all:Nn \l__chemformula_input_seq {}
+ % disable \xspace:
+ \cs_set_eq:NN \xspace \scan_stop:
+ % the next two aren't necessary any more but shouldn't do harm, too:
+ % TODO: remove in next version step (4.13)
+ % \cs_set_nopar:Npn \[ { [ }
+ % \cs_set_nopar:Npn \] { ] }
+ \bool_set_true:N \l_chemformula_inside_ch_bool
+ \tl_if_blank:VF \g__chemformula_options_tl
+ {
+ \keys_set:nV
+ {chemformula}
+ \g__chemformula_options_tl
+ }
+ \seq_map_function:NN
+ \l__chemformula_input_seq
+ \__chemformula_input:n
+ \__chemformula_prepare_output:N \l__chemformula_input_tl
+ \chemformula_write:V \l__chemformula_input_tl
}
- \seq_map_function:NN
- \l__chemformula_input_seq
- \chemformula_input:n
- \__chemformula_prepare_output:N \l__chemformula_input_tl
- \chemformula_write:V \l__chemformula_input_tl
\group_end:
}
-\cs_new:Npn \chemformula_write:n #1
+\cs_new_protected:Npn \chemformula_write:n #1
{
\mode_if_math:TF
- { \text { \chemformula_font_inner: #1}
- % \mathchoice
- % { \text { \chemformula_font_inner: #1 } }
- % { \text { \chemformula_font_inner: #1 } }
- % { \text { \scriptsize \chemformula_font_inner: #1 } }
- % { \text { \tiny \chemformula_font_inner: #1 } }
- }
- { \chemformula_font_inner: #1 }
+ { \text { \chemformula_font_inner: #1} }
+ { { \chemformula_font_inner: #1 } }
}
\cs_generate_variant:Nn \chemformula_write:n { V }
@@ -1200,16 +1161,19 @@
\cs_new_protected:Npn \chemformula_chcpd:nn #1#2
{
\group_begin:
- \keys_set:nn {chemformula} {#1}
- \__chemformula_save_catcodes:
- \__chemformula_sanitize:Nn
- \l__chemformula_chemformula_tmpa_tl
- {#2}
- \chemformula_input_cmpd_no_check:VN
- \l__chemformula_chemformula_tmpa_tl
- \l__chemformula_compound_tl
- \__chemformula_prepare_output:N \l__chemformula_compound_tl
- \chemformula_write:V \l__chemformula_compound_tl
+ \tl_if_blank:nF {#2}
+ {
+ \keys_set:nn {chemformula} {#1}
+ \__chemformula_save_catcodes:
+ \__chemformula_sanitize:Nn
+ \l__chemformula_chemformula_tmpa_tl
+ {#2}
+ \__chemformula_input_cmpd_no_check:NV
+ \l__chemformula_compound_tl
+ \l__chemformula_chemformula_tmpa_tl
+ \__chemformula_prepare_output:N \l__chemformula_compound_tl
+ \chemformula_write:V \l__chemformula_compound_tl
+ }
\group_end:
}
@@ -1218,7 +1182,7 @@
% --------------------------------------------------------------------------
% arrow generation & detection
-\cs_new:Npn \__chemformula_generate_arrows:Nn #1#2
+\cs_new_protected:Npn \__chemformula_generate_arrows:Nn #1#2
{
\tl_set_rescan:Nnn \l__chemformula_tmpa_tl
{
@@ -1250,13 +1214,13 @@
% --------------------------------------------------------------------------
% compound names
-\cs_new:Npn \__chemformula_name_cmpd:w
+\cs_new_protected:Npn \__chemformula_name_cmpd:w
{ \peek_meaning:NTF ( { \chname } { ! } }
\NewDocumentCommand \chname { R(){}R(){} }
{ \chemformula_chwritebelow:nn {#1} {#2} }
-\cs_new:Npn \chemformula_chwritebelow:nn #1#2
+\cs_new_protected:Npn \chemformula_chwritebelow:nn #1#2
{
\c_math_toggle_token
\underset
@@ -1427,20 +1391,20 @@
% --------------------------------------------------------------------------
% bonds:
-\cs_new:Npn \chemformula@bondlength
+\cs_new_protected:Npn \chemformula@bondlength
{ \l__chemformula_bond_dim }
-\cs_new:Npn \chemformula_single_bond:
+\cs_new_protected:Npn \chemformula_single_bond:
{
\bool_if:NTF \l__chemformula_sup_bool
{ \chemformula_minus: }
{ \chemformula_bond:n { single } }
}
-\cs_new:Npn \chemformula_double_bond:
+\cs_new_protected:Npn \chemformula_double_bond:
{ \chemformula_bond:n { double } }
-\cs_new:Npn \chemformula_triple_bond:
+\cs_new_protected:Npn \chemformula_triple_bond:
{ \chemformula_bond:n { triple } }
\cs_new_protected:Npn \chemformula_bond:n #1
@@ -1483,7 +1447,7 @@
{
\cs_if_exist:cTF { chemformula_bond_type_#1: }
{ \cs_set:cpn { chemformula_bond_type_#1: } {} }
- { \cs_new:cpn { chemformula_bond_type_#1: } {} }
+ { \cs_new_protected:cpn { chemformula_bond_type_#1: } {} }
\prop_put:Nnn \l__chemformula_bonds_prop {#1} {#2}
}
@@ -1513,7 +1477,7 @@
{
\cs_if_exist:cTF { chemformula_bond_type_#1: }
{ \msg_error:nnn {chemformula} {new-bond} {#1} }
- { \cs_new:cpn { chemformula_bond_type_#1: } {} }
+ { \cs_new_protected:cpn { chemformula_bond_type_#1: } {} }
\prop_get:NnN \l__chemformula_bonds_prop {#2} \l__chemformula_tmpa_tl
\prop_put:Nno \l__chemformula_bonds_prop {#1} { \l__chemformula_tmpa_tl }
}
@@ -1525,7 +1489,7 @@
\cs_if_exist:cTF { chemformula_bond_type_#2: }
{
\cs_if_exist:cF { chemformula_bond_type_#1: }
- { \cs_new:cpn { chemformula_bond_type_#1: } {} }
+ { \cs_new_protected:cpn { chemformula_bond_type_#1: } {} }
\prop_get:NnN \l__chemformula_bonds_prop {#2} \l__chemformula_tmpa_tl
\prop_put:Nno \l__chemformula_bonds_prop {#1} { \l__chemformula_tmpa_tl }
}
@@ -1619,7 +1583,7 @@
% --------------------------------------------------------------------------
% sub- and superscripts
-\cs_new:Npn \__chemformula_number_style:n #1
+\cs_new_protected:Npn \__chemformula_number_style:n #1
{
\bool_if:NTF \l__chemformula_number_style_math_bool
{ \ensuremath {#1} }
@@ -1963,25 +1927,26 @@
% --------------------------------------------------------------------------
% read the input
-\cs_new_protected:Npn \chemformula_input:n #1
+\cs_new_protected:Npn \__chemformula_input:n #1
{
\__chemformula_save_catcodes:
\__chemformula_sanitize:Nn \l__chemformula_chemformula_tmpa_tl {#1}
- \chemformula_input_escape_text:V \l__chemformula_chemformula_tmpa_tl
- \chemformula_input_escape_math:n {#1}
- \chemformula_input_stoich:n {#1}
+ \__chemformula_input_escape_text:V \l__chemformula_chemformula_tmpa_tl
+ \__chemformula_input_escape_math:n {#1}
+ \__chemformula_input_stoich:n {#1}
\__chemformula_clean_chemmacros:V \l__chemformula_chemformula_tmpa_tl
- \chemformula_input_cmpd:VN
- \l__chemformula_chemformula_tmpa_tl \l__chemformula_input_tl
- \chemformula_input_arrow:n {#1}
- \chemformula_input_name:n {#1}
- \chemformula_input_addition:n {#1}
- \chemformula_input_symbol:n {#1}
+ \__chemformula_input_cmpd:NV
+ \l__chemformula_input_tl
+ \l__chemformula_chemformula_tmpa_tl
+ \__chemformula_input_arrow:n {#1}
+ \__chemformula_input_name:n {#1}
+ \__chemformula_input_addition:n {#1}
+ \__chemformula_input_symbol:n {#1}
}
% --------------------------------------------------------------------------
% set options for next compound:
-\cs_new_protected:Npn \chemformula_input_options:n #1
+\cs_new_protected:Npn \__chemformula_input_options:n #1
{
% \makeatother
\char_set_catcode_other:N \@
@@ -2002,9 +1967,9 @@
% --------------------------------------------------------------------------
% input stoichiometric factors
-\cs_new:Npn \chemformula_decimal: { { \l__chemformula_decimal_output_tl } }
+\cs_new_protected:Npn \chemformula_decimal: { { \l__chemformula_decimal_output_tl } }
-\cs_new_protected:Npn \chemformula_input_stoich:n #1
+\cs_new_protected:Npn \__chemformula_input_stoich:n #1
{
\bool_set_true:N \l__chemformula_stoich_bool
% the factor consists only of a parenthesis or a decimal marcer:
@@ -2041,9 +2006,9 @@
{ \tl_clear:N \l__chemformula_stoich_tl }
}
-\cs_new:Npn \chemformula_bm:n #1 {#1}
+\cs_new_protected:Npn \chemformula_bm:n #1 {#1}
-\cs_new:Npn \__chemformula_print_stoich:n #1
+\cs_new_protected:Npn \__chemformula_print_stoich:n #1
{ \chemformula_parse_stoich:n {#1} }
\cs_generate_variant:Nn \__chemformula_print_stoich:n { V }
@@ -2053,7 +2018,7 @@
\NewDocumentCommand \chstoich { m }
{ \chemformula_parse_stoich:n {#1} }
-\cs_new:Npn \__chemformula_parse_stoich:w \q_mark #1 \q_nil
+\cs_new_protected:Npn \__chemformula_parse_stoich:w \q_mark #1 \q_nil
{
\__chemformula_bool_set_if_first_last:Nnnn
\l__chemformula_stoich_is_iupac_bool {#1} { ( } { ) }
@@ -2069,7 +2034,7 @@
slash-right-kern = -.15em
}
-\cs_new:Npn \__chemformula_parse_stoich_regular:n #1
+\cs_new_protected:Npn \__chemformula_parse_stoich_regular:n #1
{
\tl_if_in:nnTF {#1} { / }
{ \__chemformula_parse_stoich_frac:n {#1} }
@@ -2087,7 +2052,7 @@
{ \tl_put_right:Nn \l__chemformula_input_tl {#1} }
}
-\cs_new:Npn \__chemformula_parse_stoich_frac:n #1
+\cs_new_protected:Npn \__chemformula_parse_stoich_frac:n #1
{
\tl_if_in:nnTF {#1} { _ }
{ \__chemformula_parse_stoich_misc_frac:w #1 \q_nil }
@@ -2113,7 +2078,7 @@
{ \tl_put_right:Nn \l__chemformula_input_tl {#1} }
}
-\cs_new:Npn \__chemformula_parse_stoich_iupac:w (#1) \q_nil
+\cs_new_protected:Npn \__chemformula_parse_stoich_iupac:w (#1) \q_nil
{
\tl_put_right:Nn \l__chemformula_input_tl { ( }
\__chemformula_parse_stoich_regular:n {#1}
@@ -2122,7 +2087,7 @@
\cs_new_eq:NN \chemformula_math_frac:nn \frac
-\cs_new:Npn \__chemformula_frac:nn #1#2
+\cs_new_protected:Npn \__chemformula_frac:nn #1#2
{
\bool_if:NT \l__chemformula_xfrac_bool
{ \sfrac[chemformula-text-frac]{#1}{#2} }
@@ -2136,7 +2101,7 @@
}
}
-\cs_new:Npn \__chemformula_misc_frac:nnn #1#2#3
+\cs_new_protected:Npn \__chemformula_misc_frac:nnn #1#2#3
{
\bool_if:NT \l__chemformula_xfrac_bool
{ #1\sfrac[chemformula-text-frac]{#2}{#3} }
@@ -2153,21 +2118,23 @@
% --------------------------------------------------------------------------
% input compounds
-\cs_new_protected:Npn \chemformula_input_cmpd:nN #1#2
+\cs_new_protected:Npn \__chemformula_input_cmpd:Nn #1#2
{
+ % \tl_show:n {#1}
\tl_if_blank:VTF \l__chemformula_stoich_tl
{
% TODO
- \__chemformula_detect_addition_symbols:n {#1}
- \__chemformula_detect_symbols:n {#1}
- \__chemformula_detect_arrows:n {#1}
- \__chemformula_detect_name:n {#1}
- \chemformula_input_options:n {#1}
+ \__chemformula_detect_addition_symbols:n {#2}
+ \__chemformula_detect_symbols:n {#2}
+ \__chemformula_detect_arrows:n {#2}
+ \__chemformula_detect_name:n {#2}
+ \__chemformula_input_options:n {#2}
\bool_if:NT \l__chemformula_is_option_bool
{
- \tl_put_right:Nn #2
+ \tl_put_right:Nn #1
{
\group_begin:
+ % open group
\keys_set:nV
{chemformula}
\l__chemformula_internal_options_tl
@@ -2184,11 +2151,12 @@
!\l__chemformula_first_last_math_bool
}
{
- \__chemformula_handle_sub_and_superscripts:nN {#1} #2
+ \__chemformula_input_cmpd_no_check:Nn #1 {#2}
\bool_if:NT \l__chemformula_options_bool
{
- \tl_put_right:Nn #2
+ \tl_put_right:Nn #1
{
+ % end group
\group_end:
\tl_clear:N \l__chemformula_internal_options_tl
}
@@ -2197,16 +2165,12 @@
}
}
{
- \tl_put_right:Nn #2
+ \tl_put_right:Nn #1
{ \chemformula_skip_nobreak:N \l__chemformula_stoich_space_skip }
\tl_clear:N \l__chemformula_stoich_tl
}
}
-\cs_generate_variant:Nn \chemformula_input_cmpd:nN { V }
-
-\cs_new_protected:Npn \chemformula_input_cmpd_no_check:nN #1#2
- { \__chemformula_handle_sub_and_superscripts:nN {#1} #2 }
-\cs_generate_variant:Nn \chemformula_input_cmpd_no_check:nN { V }
+\cs_generate_variant:Nn \__chemformula_input_cmpd:Nn { NV }
\cs_new_protected:Npn \chemformula_font_inner:
{
@@ -2228,15 +2192,15 @@
{ \cs_set:Nn \chemformula_bm:n {##1} }
}
-\cs_new:Npn \chemformula_font: {}
-\cs_new:Npn \__chemformula_fontspec:n #1
+\cs_new_protected:Npn \chemformula_font: {}
+\cs_new_protected:Npn \__chemformula_fontspec:n #1
{
\tl_if_in:nnTF {#1} { [ }
{ \__chemformula_fontspec_aux:w #1 \q_stop }
{ \__chemformula_fontspec_aux:w [] #1 \q_stop }
}
-\cs_new:Npn \__chemformula_fontspec_aux:w [#1]#2 \q_stop
+\cs_new_protected:Npn \__chemformula_fontspec_aux:w [#1]#2 \q_stop
{ \newfontfamily \chemformula_font: [ #1 ] {#2} }
\cs_new_protected:Npn \__chemformula_save_catcodes:
@@ -2300,74 +2264,118 @@
{ \tl_set_rescan:Nnn #1 { \__chemformula_restore: } {#2} }
\cs_generate_variant:Nn \__chemformula_reset:Nn { NV }
-\cs_new_protected:Npn \__chemformula_handle_sub_and_superscripts:nN #1#2
+\prg_new_protected_conditional:Npnn \__chemformula_if_only_parens:n #1 {T,F,TF}
{
- \__chemformula_sanitize:Nn \l__chemformula_tmpa_tl {#1}
- % let's see if the compound starts with a sub- or superscript:
- \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { ^ }
- {
- \tl_put_left:Nn \l__chemformula_tmpa_tl
- { \bool_set_true:N \l__chemformula_is_isotope_bool }
- }
- \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { _ }
+ \bool_set_true:N \l__chemformula_tmpa_bool
+ \tl_map_inline:nn {#1}
{
- \tl_put_left:Nn \l__chemformula_tmpa_tl
- { \bool_set_true:N \l__chemformula_is_isotope_bool }
+ \str_case:nnF {##1}
+ {
+ {[} { }
+ {]} { }
+ {(} { }
+ {)} { }
+ }
+ { \bool_set_false:N \l__chemformula_tmpa_bool }
}
- \exp_args:NNx \prop_if_in:NnT \l__chemformula_numbers_prop
- { \tl_head:V \l__chemformula_tmpa_tl }
+ \bool_if:NTF \l__chemformula_tmpa_bool
+ { \prg_return_true: }
+ { \prg_return_false: }
+ }
+
+% this is the chemical formula:
+% #1: tl var to safe processed formula in
+% #2: formula
+\cs_new_protected:Npn \__chemformula_input_cmpd_no_check:Nn #1#2
+ {
+ \__chemformula_if_only_parens:nTF {#2}
+ { \tl_put_right:Nn #1 {#2} }
{
+ \__chemformula_sanitize:Nn \l__chemformula_tmpa_tl {#2}
+ % let's see if the compound starts with a sub- or superscript - if yes
+ % this is an isotope:
+ \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { ^ }
+ {
+ \tl_put_left:Nn \l__chemformula_tmpa_tl
+ { \bool_set_true:N \l__chemformula_is_isotope_bool }
+ }
+ \tl_if_in:xnT { \tl_head:V \l__chemformula_tmpa_tl } { _ }
+ {
+ \tl_put_left:Nn \l__chemformula_tmpa_tl
+ { \bool_set_true:N \l__chemformula_is_isotope_bool }
+ }
+ % do we start with a number?
+ \exp_args:NNx \prop_if_in:NnT \l__chemformula_numbers_prop
+ { \tl_head:V \l__chemformula_tmpa_tl }
+ {
+ \tl_put_left:Nn \l__chemformula_tmpa_tl
+ { \bool_set_true:N \l__chemformula_is_isotope_bool }
+ }
+ % preparations for sub- and superscripting:
+ \tl_if_in:VnT \l__chemformula_tmpa_tl { ^ }
+ {
+ \tl_replace_all:Nnn \l__chemformula_tmpa_tl { ^ }
+ { \chemformula_superscript:n }
+ }
+ \tl_if_in:VnT \l__chemformula_tmpa_tl { _ }
+ {
+ \tl_replace_all:Nnn \l__chemformula_tmpa_tl { _ }
+ { \chemformula_subscript:n }
+ }
+ % start formula
\tl_put_left:Nn \l__chemformula_tmpa_tl
- { \bool_set_true:N \l__chemformula_is_isotope_bool }
- }
- \tl_if_in:VnT \l__chemformula_tmpa_tl { ^ }
- {
- \tl_replace_all:Nnn \l__chemformula_tmpa_tl { ^ }
- { \chemformula_superscript:n }
- }
- \tl_if_in:VnT \l__chemformula_tmpa_tl { _ }
- {
- \tl_replace_all:Nnn \l__chemformula_tmpa_tl { _ }
- { \chemformula_subscript:n }
- }
- \int_zero:N \l__chemformula_count_tokens_int
- \tl_map_inline:Nn \l__chemformula_tmpa_tl
- {
- \int_incr:N \l__chemformula_count_tokens_int
- \int_compare:nTF
- { \l__chemformula_count_tokens_int = \tl_count:N \l__chemformula_tmpa_tl }
{
- \tl_if_eq:nnTF {##1} { + }
- {
- \tl_put_right:Nn #2
- { \chemformula_superscript:n { \chemformula_plus: } }
- }
+ \group_begin:
+ \l__chemformula_atom_format_tl
+ }
+ \int_zero:N \l__chemformula_count_tokens_int
+ \tl_map_inline:Nn \l__chemformula_tmpa_tl
+ {
+ \int_incr:N \l__chemformula_count_tokens_int
+ % do we end with a charge?
+ \int_compare:nTF
+ { \l__chemformula_count_tokens_int = \tl_count:N \l__chemformula_tmpa_tl }
{
- \tl_if_eq:nnTF {##1} { - }
+ \tl_if_eq:nnTF {##1} {+}
{
- \tl_put_right:Nn #2
- { \chemformula_superscript:n { \chemformula_minus: } }
+ \tl_put_right:Nn #1
+ { \chemformula_superscript:n { \chemformula_plus: } }
}
{
- \prop_get:NnNTF \l__chemformula_cmpd_prop {##1} \l__chemformula_tmpb_tl
- { \tl_put_right:NV #2 \l__chemformula_tmpb_tl }
- { \tl_put_right:Nn #2 {##1} }
+ \tl_if_eq:nnTF {##1} {-}
+ {
+ \tl_put_right:Nn #1
+ { \chemformula_superscript:n { \chemformula_minus: } }
+ }
+ {
+ \prop_get:NnNTF \l__chemformula_cmpd_prop
+ {##1}
+ \l__chemformula_tmpb_tl
+ { \tl_put_right:NV #1 \l__chemformula_tmpb_tl }
+ { \tl_put_right:Nn #1 {##1} }
+ }
}
}
+ {
+ \prop_get:NnNTF \l__chemformula_cmpd_prop
+ {##1}
+ \l__chemformula_tmpb_tl
+ { \tl_put_right:NV #1 \l__chemformula_tmpb_tl }
+ { \tl_put_right:Nn #1 {##1} }
+ }
}
+ \tl_put_right:Nn #1 { \group_end: }
+ % if Kroeger-Vink notation is active:
+ \bool_if:NT \l__chemformula_kroegervink_bool
{
- \prop_get:NnNTF \l__chemformula_cmpd_prop {##1} \l__chemformula_tmpb_tl
- { \tl_put_right:NV #2 \l__chemformula_tmpb_tl }
- { \tl_put_right:Nn #2 {##1} }
+ \tl_replace_all:Nnn #1
+ { \chemformula_prime: }
+ { \chemformula_superscript:n { \chemformula_prime: } }
}
}
- \bool_if:NT \l__chemformula_kroegervink_bool
- {
- \tl_replace_all:Nnn #2
- { \chemformula_prime: }
- { \chemformula_superscript:n { \chemformula_prime: } }
- }
+ \tl_clear:N \l__chemformula_tmpa_tl
}
+\cs_generate_variant:Nn \__chemformula_input_cmpd_no_check:Nn { NV }
% --------------------------------------------------------------------------
% clean up chemmacros commands:
@@ -2389,9 +2397,6 @@
{.3em plus .1em minus .1em}
\tl_set:Nn \l__chemformula_additions_symbol_penalty_tl {700}
-\cs_generate_variant:Nn \skip_set:Nn {cV}
-\cs_generate_variant:Nn \tl_set:Nn {cV}
-
% #1: name
% #2: input symbol
% #3: output symbol
@@ -2425,7 +2430,7 @@
}
% #1: name
-\cs_new_protected:Npn \chemformula_input_addition:n #1
+\cs_new_protected:Npn \__chemformula_input_addition:n #1
{
\prop_map_inline:Nn \l__chemformula_addition_symbol_prop
{
@@ -2507,7 +2512,7 @@
% input escaping gas and precipitate
\prop_new:N \l__chemformula_symbols_prop
-\cs_new_protected:Npn \chemformula_input_symbol:n #1
+\cs_new_protected:Npn \__chemformula_input_symbol:n #1
{
\prop_map_inline:Nn \l__chemformula_symbols_prop
{
@@ -2519,7 +2524,6 @@
}
\bool_set_false:N \l__chemformula_is_symbol_bool
}
-\cs_generate_variant:Nn \str_if_eq:nnT {V}
\cs_new_protected:Npn \chemformula_new_symbol:nn #1#2
{ \prop_put:Nnn \l__chemformula_symbols_prop {#1} {#2} }
@@ -2566,7 +2570,7 @@
% --------------------------------------------------------------------------
% input arrow
-\cs_new_protected:Npn \chemformula_input_arrow:n #1
+\cs_new_protected:Npn \__chemformula_input_arrow:n #1
{
\bool_if:nT
{
@@ -2580,11 +2584,11 @@
}
\bool_set_false:N \l__chemformula_is_arrow_bool
}
-\cs_generate_variant:Nn \chemformula_input_arrow:n { o,V }
+\cs_generate_variant:Nn \__chemformula_input_arrow:n { o,V }
% --------------------------------------------------------------------------
% input compound name
-\cs_new_protected:Npn \chemformula_input_name:n #1
+\cs_new_protected:Npn \__chemformula_input_name:n #1
{
\bool_if:nT
{
@@ -2623,7 +2627,7 @@
}
}
-\cs_new_protected:Npn \chemformula_input_escape_text:n #1
+\cs_new_protected:Npn \__chemformula_input_escape_text:n #1
{
\__chemformula_first_last_text:n {#1}
\bool_if:NT \l__chemformula_first_last_double_bool
@@ -2637,7 +2641,7 @@
\__chemformula_read_escape_single:w #1 \q_nil
}
}
-\cs_generate_variant:Nn \chemformula_input_escape_text:n { V }
+\cs_generate_variant:Nn \__chemformula_input_escape_text:n { V }
\cs_new_protected:Npn \__chemformula_read_escape_text:n #1
{
@@ -2659,10 +2663,10 @@
\tl_put_right:NV \l__chemformula_input_tl \l__chemformula_tmpa_tl
}
-\cs_new:Npn \__chemformula_read_escape_double:w "#1" \q_nil
+\cs_new_protected:Npn \__chemformula_read_escape_double:w "#1" \q_nil
{ \__chemformula_read_escape_text:n {#1} }
-\cs_new:Npn \__chemformula_read_escape_single:w '#1' \q_nil
+\cs_new_protected:Npn \__chemformula_read_escape_single:w '#1' \q_nil
{ \__chemformula_read_escape_text:n {#1} }
\cs_new_protected:Npn \__chemformula_first_last_text:n #1
@@ -2685,7 +2689,7 @@
% --------------------------------------------------------------------------
% input escaped math
-\cs_new_protected:Npn \chemformula_input_escape_math:n #1
+\cs_new_protected:Npn \__chemformula_input_escape_math:n #1
{
\__chemformula_first_last_math:n {#1}
\bool_if:NT \l__chemformula_first_last_dollar_bool
@@ -2720,10 +2724,10 @@
{ \chemformula_skip_nobreak:N \l__chemformula_math_space_skip }
}
-\cs_new:Npn \__chemformula_read_escape_dollar:w $#1$ \q_nil
+\cs_new_protected:Npn \__chemformula_read_escape_dollar:w $#1$ \q_nil
{ \__chemformula_read_escape_math:n {#1} }
-\cs_new:Npn \__chemformula_read_escape_mathbraces:w \(#1\) \q_nil
+\cs_new_protected:Npn \__chemformula_read_escape_mathbraces:w \(#1\) \q_nil
{ \__chemformula_read_escape_math:n {#1} }
\cs_new_protected:Npn \__chemformula_first_last_math:n #1
@@ -2844,7 +2848,8 @@
format .code:n =
\bool_set_false:N \l__chemformula_fss_bool
\bool_set_false:N \l__chemformula_fontspec_bool
- \tl_set:Nn \l__chemformula_format_tl {#1}
+ \tl_set:Nn \l__chemformula_format_tl {#1} ,
+ atom-format .tl_set:N = \l__chemformula_atom_format_tl
}
% --------------------------------------------------------------------------
@@ -2887,16 +2892,15 @@
{
\tl_set:Nn \l__chemformula_tmpa_tl {#2}
\tl_replace_all:Nnn \l__chemformula_tmpa_tl { : } { \scan_stop: : , }
- \tl_replace_all:NVn \l__chemformula_tmpa_tl \c_chemformula_colon_tl
+ \tl_replace_all:NVn \l__chemformula_tmpa_tl \c__chemformula_colon_tl
{ \scan_stop: : , }
\tl_replace_all:Nnn \l__chemformula_tmpa_tl { . } { \scan_stop: . , }
\tl_replace_all:Nnn \l__chemformula_tmpa_tl { | } { \scan_stop: | , }
\tl_replace_all:Nnn \l__chemformula_tmpa_tl { o } { \scan_stop: o , }
\seq_set_split:NnV #1 { , } \l__chemformula_tmpa_tl
}
-\cs_generate_variant:Nn \tl_replace_all:Nnn { NV }
-\cs_new:Npn \chemformula_lewis_get_angle_and_spec:n #1
+\cs_new_protected:Npn \chemformula_lewis_get_angle_and_spec:n #1
{ \__chemformula_lewis_get_angle_and_spec:w #1 \scan_stop: \scan_stop: \q_stop }
\cs_new_protected:Npn
@@ -2952,27 +2956,27 @@
outer~sep=0pt
}
{
- (node~cs \c_chemformula_colon_tl
+ (node~cs \c__chemformula_colon_tl
name = chlewis-\int_use:N \g__chemformula_lewis_int ,
angle = \l__chemformula_elspec_angle_tl
)
++
(
\l__chemformula_elspec_angle_tl
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_radius_tl
)
++
(
\l__chemformula_elspec_angle_tl +90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
.5\l__chemformula_elspec_pair_distance_dim
)
circle (\l__chemformula_radical_radius_dim)
++
(
\l__chemformula_elspec_angle_tl -90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_pair_distance_dim
)
circle (\l__chemformula_radical_radius_dim)
@@ -2984,27 +2988,27 @@
\chemformula_draw:nn
{ line~width = \l__chemformula_elspec_pair_width_dim }
{
- (node~cs \c_chemformula_colon_tl
+ (node~cs \c__chemformula_colon_tl
name = chlewis-\int_use:N \g__chemformula_lewis_int ,
angle = \l__chemformula_elspec_angle_tl
)
++
(
\l__chemformula_elspec_angle_tl
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_radius_tl
)
++
(
\l__chemformula_elspec_angle_tl +90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
.5\l__chemformula_elspec_pair_line_length_dim
)
--
++
(
\l__chemformula_elspec_angle_tl -90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_pair_line_length_dim
)
}
@@ -3019,14 +3023,14 @@
outer~sep=0pt
}
{
- (node~cs \c_chemformula_colon_tl
+ (node~cs \c__chemformula_colon_tl
name = chlewis-\int_use:N \g__chemformula_lewis_int ,
angle = \l__chemformula_elspec_angle_tl
)
++
(
\l__chemformula_elspec_angle_tl
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_radius_tl
)
circle (\l__chemformula_radical_radius_dim)
@@ -3037,41 +3041,41 @@
{
\chemformula_draw:nn { }
{
- (node~cs \c_chemformula_colon_tl
+ (node~cs \c__chemformula_colon_tl
name = chlewis-\int_use:N \g__chemformula_lewis_int ,
angle = \l__chemformula_elspec_angle_tl
)
++
(
\l__chemformula_elspec_angle_tl
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_radius_tl
)
++
(
\l__chemformula_elspec_angle_tl +90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
.5\l__chemformula_elspec_pair_line_length_dim
)
coordinate (chlewis-tmp1)
++
(
\l__chemformula_elspec_angle_tl -90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_pair_line_length_dim
)
coordinate (chlewis-tmp2)
++
(
\l__chemformula_elspec_angle_tl
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
.25\l__chemformula_elspec_pair_line_length_dim
)
coordinate (chlewis-tmp3)
++
(
\l__chemformula_elspec_angle_tl +90
- \c_chemformula_colon_tl
+ \c__chemformula_colon_tl
\l__chemformula_elspec_pair_line_length_dim
)
coordinate (chlewis-tmp4)
@@ -3269,7 +3273,7 @@ VERSION HISTORY
\RenewChemCompoundProperty,
\DeclareChemCompoundProperty,
\RemoveChemCompoundProperty
-2015/04/03 - version 4.10a - bug fix in \chemformula_input_stoich:n
+2015/04/03 - version 4.10a - bug fix in \__chemformula_input_stoich:n
2015/06/30 - version 4.11 - small changes in \chcpd
- remove unnecessary \mathchoice => noticable speed
improvement
@@ -3285,6 +3289,10 @@ VERSION HISTORY
macros
2015/09/08 - version 4.12b - trim spaces of \ch input -- due to a change in
l3kernel
+2015/01/01 - version 4.13 - clean up code
+ - check for blank input
+ - drop support for \[ and \]
+ - new option `atom-format'
% --------------------------------------------------------------------------
% TODO