v5.0 reached (finally)

cgnieder · Sep 11, 2015 · 94048ed · 94048ed
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diff --git a/README b/README
@@ -1,5 +1,5 @@
 --------------------------------------------------------------------------
-the CHEMMACROS package v5.0beta 2015/09/08
+the CHEMMACROS package v5.0 2015/09/11
 
   comprehensive support for typesetting chemistry documents
 

diff --git a/chemmacros.module.base.code.tex b/chemmacros.module.base.code.tex
@@ -141,7 +141,7 @@
   { #1 { \prg_return_true: } { \prg_return_false: } }
 
 % this is used at least in the `isotope' module
-\prg_new_conditional:Npnn \chemmacros_is_int:n #1 {p,T,F,TF}
+\prg_new_conditional:Npnn \chemmacros_if_is_int:n #1 {p,T,F,TF}
   {
     \if_charcode:w ! \if_int_compare:w 9 < 1#1 ! \else: _ \fi:
       \prg_return_true:

diff --git a/chemmacros.module.isotopes.code.tex b/chemmacros.module.isotopes.code.tex
@@ -42,7 +42,7 @@
 % #2: tokenlist variable
 \cs_new_protected:Npn \chemmacros_get_atom_number:nN #1#2
   {
-    \chemmacros_is_int:nTF {#1}
+    \chemmacros_if_is_int:nTF {#1}
       { \tl_set:Nn #2 {#1} }
       {
         \cs_if_exist:cTF { @elements@atom@number@ \str_lower_case:n {#1} }

diff --git a/chemmacros.module.nomenclature.code.tex b/chemmacros.module.nomenclature.code.tex
@@ -314,32 +314,55 @@
     break-space       .dim_set:N = \l__chemmacros_iupac_break_dim
   }
 
-\cs_new_protected:Npn \__chemmacros_break_point_insert:n #1
+% #1: pre break
+% #2: post break
+% #3: no break
+\cs_new_protected:Npn \__chemmacros_break_point_insert:nnn #1#2#3
   {
-    \chemmacros_nobreak:
-    \tex_discretionary:D { - } { } {#1}
-    \chemmacros_allow_hyphens:
+    \mode_if_math:TF
+      {#3}
+      {
+        \chemmacros_nobreak:
+        \tex_discretionary:D {#1} {#2} {#3}
+        \chemmacros_allow_hyphens:
+      }
   }
 \cs_new_protected:Npn \chemmacros_break_point_hyphen:
   {
-    \mode_if_math:TF
-      { - }
+    \__chemmacros_break_point_insert:nnn
+      {-}
+      { }
       {
-        \__chemmacros_break_point_insert:n
-          {
-            \tex_kern:D \l__chemmacros_iupac_hyphen_pre_dim
-            -
-            \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
-          }
+        \tex_kern:D \l__chemmacros_iupac_hyphen_pre_dim
+        -
+        \tex_kern:D \l__chemmacros_iupac_hyphen_post_dim
       }
   }
 
 \cs_new_protected:Npn \chemmacros_break_point:
   {
-    \__chemmacros_break_point_insert:n
-      { \tex_kern:D \l__chemmacros_iupac_break_dim }
+    \__chemmacros_break_point_insert:nnn
+      {-}
+      { }
+      {
+        \mode_if_math:TF
+          { | }
+          { \tex_kern:D \l__chemmacros_iupac_break_dim }
+      }
   }
 
+\cs_new_protected:Npn \chemmacros_break_point_opening_paren:
+  { \__chemmacros_break_point_insert:nnn { - } { ( } { ( } }
+
+\cs_new_protected:Npn \chemmacros_break_point_closing_paren:
+  { \__chemmacros_break_point_insert:nnn { )- } { } { ) } }
+
+\cs_new_protected:Npn \chemmacros_break_point_opening_bracket:
+  { \__chemmacros_break_point_insert:nnn { - } { [ } { [ } }
+
+\cs_new_protected:Npn \chemmacros_break_point_closing_bracket:
+  { \__chemmacros_break_point_insert:nnn { ]- } { } { ] } }
+
 \cs_new_protected:Npn \chemmacros_superscript:n #1
   { \mode_if_math:TF { \sp {#1} } { \textsuperscript {#1} } }
 
@@ -423,6 +446,10 @@
 
 \NewChemIUPACShorthand | \chemmacros_break_point:
 \NewChemIUPACShorthand - \chemmacros_break_point_hyphen:
+\NewChemIUPACShorthand ( \chemmacros_break_point_opening_paren:
+\NewChemIUPACShorthand ) \chemmacros_break_point_closing_paren:
+\NewChemIUPACShorthand [ \chemmacros_break_point_opening_bracket:
+\NewChemIUPACShorthand ] \chemmacros_break_point_closing_bracket:
 \NewChemIUPACShorthand ^ \chemmacros_superscript:n
 
 % Thanks to Joseph Wright and Enrico Gregorio for the help on the curious

diff --git a/chemmacros.module.redox.code.tex b/chemmacros.module.redox.code.tex
@@ -25,7 +25,7 @@
 %
 % The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
-\ChemModule{redox}{2015/09/09 oxidation numbers, redox reactions}
+\ChemModule{redox}{2015/09/11 oxidation numbers, redox reactions}
 
 \chemmacros_load_modules:n {tikz,xfrac}
 
@@ -38,16 +38,16 @@
 % --------------------------------------------------------------------------
 % 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_format_roman_bool
-\bool_new:N       \l__chemmacros_ox_decimal_marker_comma_bool
-\bool_new: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_new:N       \l__chemmacros_ox_align_center_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_new:N \l__chemmacros_ox_format_roman_bool
+\bool_new:N \l__chemmacros_ox_decimal_marker_comma_bool
+\bool_new: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_new:N \l__chemmacros_ox_align_center_bool
 
 \int_new:N \l__chemmacros_ox_number_int
 \fp_new:N  \l__chemmacros_ox_number_fp
@@ -175,7 +175,7 @@
           {
             \chemmacros_text:n
               {
-                #2
+                \box_use:N \l__chemmacros_tmpb_box
                 \tl_use:N \l__chemmacros_ox_side_connect_tl
                 ( \__chemmacros_ox_process_number:n {#1} )
               }

diff --git a/chemmacros.sty b/chemmacros.sty
@@ -31,13 +31,16 @@
 
 % --------------------------------------------------------------------------
 % package information:
-\tl_const:Nn \c_chemmacros_date_tl    {2015/09/02}
-\tl_const:Nn \c_chemmacros_version_number_tl {5.0}
-\tl_const:Nn \c_chemmacros_version_suffix_tl {beta}
+\tl_const:Nn \c_chemmacros_date_tl {2015/09/11}
+\tl_const:Nn \c_chemmacros_version_major_number_tl {5}
+\tl_const:Nn \c_chemmacros_version_minor_number_tl {0}
+\tl_const:Nn \c_chemmacros_version_subrelease_tl   {}
+\tl_const:Nx \c_chemmacros_version_number_tl
+  {\c_chemmacros_version_major_number_tl.\c_chemmacros_version_minor_number_tl}
 \tl_const:Nx \c_chemmacros_version_tl
-  { \c_chemmacros_version_number_tl \c_chemmacros_version_suffix_tl }
+  { \c_chemmacros_version_number_tl \c_chemmacros_version_subrelease_tl }
 \tl_const:Nn \c_chemmacros_info_tl
-  {comprehensive support for typesetting chemistry documents}
+  {comprehensive~ support~ for~ typesetting~ chemistry~ documents}
 
 \ProvidesExplPackage
   {chemmacros}
@@ -76,17 +79,49 @@
 \ProcessKeysPackageOptions {chemmacros/compatibility}
 
 % --------------------------------------------------------------------------
+% compare version numbers
+% #1: number
+% #2: relation
+% #3: number
+% #4: true
+% #5: false
+\prg_new_conditional:Npnn \chemmacros_if_version:nnn #1#2#3 {p,T,F,TF}
+  {
+    \fp_compare:nTF { floor(#1) = floor(#3) }
+      {
+        \fp_compare:nTF
+          { (\chemmacros_get_minor:f {#1}) #2 (\chemmacros_get_minor:f {#3}) }
+          { \prg_return_true: }
+          { \prg_return_false: }
+      }
+      {
+        \fp_compare:nTF { (#1) #2 (#3) }
+          { \prg_return_true: }
+          { \prg_return_false: }
+      }
+  }
+
+\cs_new:Npn \__chemmacros_get_minor:w #1.#2.#3 \q_stop
+  { \tl_if_blank:nTF {#2} {0} {#2} }
+\cs_new:Npn \chemmacros_get_minor:n #1
+  { \__chemmacros_get_minor:w #1.. \q_stop }
+\cs_generate_variant:Nn \chemmacros_get_minor:n {f}
+
 % check compatibility
 % #1: relation
 % #2: number
 % #3: true
 % #4: false
 \prg_new_conditional:Npnn \chemmacros_if_compatiblity:nn #1#2 {p,T,F,TF}
   {
-    \fp_compare:nTF { \l__chemmacros_compatibility_version_fp #1#2 }
+    \chemmacros_if_version:nnnTF
+      { \fp_to_decimal:N \l__chemmacros_compatibility_version_fp }
+      {#1}
+      {#2}
       { \prg_return_true: }
       { \prg_return_false: }
   }
+\cs_generate_variant:Nn \chemmacros_if_compatiblity:nnT {nV}
 
 % user checks:
 \NewDocumentCommand \IfChemCompatibilityTF {mm+m+m}
@@ -123,7 +158,7 @@
 \chemmacros_if_compatiblity:nnT {>} { \c_chemmacros_version_number_tl }
   {
     \fp_set:Nn \l__chemmacros_compatibility_version_fp
-      {\c_chemmacros_version_number_tl}
+      { \c_chemmacros_version_number_tl }
   }
 
 % --------------------------------------------------------------------------
@@ -412,7 +447,7 @@ Version history
                           - allow \NewChemPhase and friends after \begin{document}
                           - new optional argument to phase commands
                           - new options `nmr/method' and `nmr/connector'
-2015/08/31 - version 5.0  - the former chemmacros.sty is now chemmacros4.sty
+2015/09/11 - version 5.0  - the former chemmacros.sty is now chemmacros4.sty
                             and can be loaded through the `compatibility'
                             option
                           - chemmacros is now organized in separate modules

diff --git a/chemmacros_en.pdf b/chemmacros_en.pdf