chemmacros (8feb15)

git-svn-id: svn://tug.org/texlive/trunk@36234 c570f23f-e606-0410-a88d-b1316a301751

4 files changed, 147 insertions, 106 deletions

diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README
index befadaf28f7..ecd8835def6 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/README
+++ b/Master/texmf-dist/doc/latex/chemmacros/README
@@ -1,5 +1,5 @@
 --------------------------------------------------------------------------
-the CHEMMACROS package v4.6 2014/08/08
+the CHEMMACROS package v4.7 2015/02/08
 
   macros and commands for chemists
 
@@ -8,7 +8,7 @@ Clemens Niederberger
 Web:    https://github.com/cgnieder/chemmacros/
 E-Mail: contact@mychemistry.eu
 --------------------------------------------------------------------------
-Copyright 2011-2014 Clemens Niederberger
+Copyright 2011-2015 Clemens Niederberger
 
 This work may be distributed and/or modified under the
 conditions of the LaTeX Project Public License, either version 1.3
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
index 6d9e5a9ddfa..603eafab494 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
index cb611113813..511935388ea 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
@@ -16,7 +16,7 @@
 % If you have any ideas, questions, suggestions or bugs to report, please
 % feel free to contact me.
 % --------------------------------------------------------------------------
-% Copyright 2011-2014 Clemens Niederberger
+% Copyright 2011-2015 Clemens Niederberger
 %
 % This work may be distributed and/or modified under the
 % conditions of the LaTeX Project Public License, either version 1.3
@@ -429,6 +429,16 @@ With version~4.0 some changes have been made:
     dropped eventually.
 \end{itemize}
 
+\subsection{Version 4.7}
+\begin{itemize}
+  \item Fix broken \cs{iupac}.
+  \item Change the default subscripts of the equilibrium constants to match
+    the usage in the \acs{iupac} Green Book.
+  \item Allow \cs{NewChemPhase} and friends after \verbcode+\begin{document}+.
+  \item New optional argument to phase commands.
+  \item New \module{nmr} options n\option{method} and \option{connector}.
+\end{itemize}
+
 \section{Package Options}\label{sec:options}
 \chemmacros\ has several package options. They all are used as key/value pairs
 like
@@ -577,9 +587,9 @@ non-English translations are provided.
       \normalfont\bfseries \pkg{translations} key &
       \bfseries English default \\
     \midrule
-      K-acid  & \GetTranslation{K-acid} \\
-      K-base  & \GetTranslation{K-base} \\
-      K-water & \GetTranslation{K-water} \\
+      K-acid  & $\GetTranslation{K-acid}$ \\
+      K-base  & $\GetTranslation{K-base}$ \\
+      K-water & $\GetTranslation{K-water}$ \\
     \midrule
       phase-sld & \GetTranslation{phase-lqd} \\
       phase-lqd & \GetTranslation{phase-sld} \\
@@ -595,7 +605,7 @@ non-English translations are provided.
 Currently this includes the following translations:
 \begin{sourcecode}
   % subscript used in \Ka:
-  \DeclareTranslation{German}{K-acid}{S}
+  \DeclareTranslation{German}{K-acid}{\mathrm{s}}
   % the phases \sld and \lqd:
   \DeclareTranslation{German}{phase-sld}{f}
   \DeclareTranslation{German}{phase-lqd}{f{}l}
@@ -1177,15 +1187,15 @@ There is one option which changes the style the \p{} is typeset:
 \begin{options}
   \keychoice{p-style}{italics,slanted,upright}\Module{acid-base}\Default{upright}
     Set the style of the \p{} operator.
-  \keyval{K-acid}{text}\Module{acid-base}\Default{A}
+  \keyval{K-acid}{text}\Module{acid-base}\Default{\cs*{mathrm}\Marg{a}}
     The subscript to \cs{Ka} and \cs{pKa}.
-  \keyval{K-base}{text}\Module{acid-base}\Default{B}
+  \keyval{K-base}{text}\Module{acid-base}\Default{\cs*{mathrm}\Marg{b}}
     The subscript to \cs{Kb} and \cs{pKb}.
-  \keyval{K-water}{text}\Module{acid-base}\Default{W}
+  \keyval{K-water}{text}\Module{acid-base}\Default{\cs*{mathrm}\Marg{w}}
     The subscript to \cs{Kw}.
-  \keychoice{subscript}{lowercase,uppercase}\Module{acid-base}\Default{uppercase}
-    Choose\sinceversion{4.5} if the default subscript is written in lower- or
-    uppercase.
+  % \keychoice{subscript}{lowercase,uppercase}\Module{acid-base}\Default{uppercase}
+  %   Choose\sinceversion{4.5} if the default subscript is written in lower- or
+  %   uppercase.
 \end{options}
 \begin{example}
   \pH, \pKa \par
@@ -1193,24 +1203,25 @@ There is one option which changes the style the \p{} is typeset:
   \chemsetup[acid-base]{p-style=italics} \pH, \pKa
 \end{example}
 
-As\sinceversion{4.2d} you can see the default subscripts of \cs{Kw}, \cs{Ka}
-and \cs{Kb} are uppercase letters.  The literature is inconclusive about if
-this is the right way or if lowercase letters should be preferred.  In
+As\changedversion{4.7} you can see the default subscripts of \cs{Kw}, \cs{Ka}
+and \cs{Kb} are lowercase letters.  The literature is inconclusive about if
+this is the right way or if uppercase letters should be preferred.  In
 textbooks the uppercase variant usually seems to be used while journals seem
-to prefer the lowercase variant.  Since I like the uppercase version better
-this is the default.  If you want to change this you have two possibilities:
+to prefer the lowercase variant.  \chemmacros' default follows the usage
+in~\cite{iupac:greenbook}.  If you want to change this you have two
+possibilities:
 
 \begin{example}
   % this works only in the preamble:
-  % \DeclareTranslation{English}{K-acid}{a}% use your language here
+  % \DeclareTranslation{English}{K-acid}{\mathrm{A}}% use your language here
   % alternative:
-  \chemsetup{acid-base/K-acid=a}% overwrites language dependent settings
+  \chemsetup{acid-base/K-acid=\mathrm{A}}% overwrites language dependent settings
   \pKa
 \end{example}
 
 \section{Oxidation Numbers, Real and Formal Charges}\label{sec:ladungen}
 
-\chemmacros\ distinguishes between real ($+$/$-$) and formal (\fplus/\fminus)
+\chemmacros{} distinguishes between real ($+$/$-$) and formal (\fplus/\fminus)
 charge symbols, also see section~\ref{sec:options}.  All commands using formal
 charge symbols start with a \code{f}.
 
@@ -1786,6 +1797,10 @@ number of options.  For historical reasons they all belong to the module
     The used default unit.
   \keychoice{nucleus}{\Marg{\meta{num},\meta{atom}}}\Module{nmr}\Default{\Marg{1,H}}
     The used default nucleus.
+  \keyval{connector}{code}\Default{-}
+    \sinceversion{4.7}Places \meta{code} between the nucleus and the method.
+  \keyval{method}{code}\Default{NMR}
+    \sinceversion{4.7}The measuring method.
   \keyval{format}{commands}\Module{nmr}\Default
     For example \cs*{bfseries}.
   \keychoice{pos-number}{side,sub,super}\Module{nmr}\Default{side}
@@ -2285,6 +2300,10 @@ There are two options to customize the output:
   To make it complete: NaCl\aq.
 \end{example}
 
+All those phase commands have an optional argument\sinceversion{4.7}:
+\begin{example}[side-by-side]
+  \ch{H2O "\lqd[\SI{5}{\celsius}]"}
+\end{example}
 
 \subsection{Define Own Phases}
 Depending on the subject of your document you might need to indicate other
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index c1a37af5dcd..d6d1a07b195 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -12,7 +12,7 @@
 % If you have any ideas, questions, suggestions or bugs to report, please
 % feel free to contact me.
 % --------------------------------------------------------------------------
-% Copyright 2011-2014 Clemens Niederberger
+% Copyright 2011-2015 Clemens Niederberger
 %
 % This work may be distributed and/or modified under the
 % conditions of the LaTeX Project Public License, either version 1.3
@@ -27,8 +27,8 @@
 % The Current Maintainer of this work is Clemens Niederberger.
 % --------------------------------------------------------------------------
 \RequirePackage{ expl3 , xparse , l3keys2e }
-\def\chemmacros@version{4.6}
-\def\chemmacros@date{2014/08/08}
+\def\chemmacros@version{4.7}
+\def\chemmacros@date{2015/02/08}
 
 \ProvidesExplPackage
   {chemmacros}
@@ -1253,7 +1253,7 @@
 \cs_new_protected:Nn \chemmacros_allow_hyphens:
   {
     \chemmacros_nobreak:
-    \skip_horizontal:n { \c_zero_dim }
+    \skip_horizontal:N \c_zero_dim
   }
 
 \dim_new:N  \l__chemmacros_iupac_hyphen_pre_dim
@@ -1310,25 +1310,30 @@
 \char_set_catcode_active:N \|
 \char_set_catcode_active:N \^
 
-\cs_new_protected:Npn \chemmacros_iupac:n
+\cs_new_protected:Npn \chemmacros_iupac:n #1
   {
     \group_begin:
       \bool_set_true:N \l__chemmacros_inside_iupac_bool
       \chemmacros_make_iupac:
       \chemmacros_ignore_spaces:
       \cs_set_eq:NN \- \chemmacros_break_point_hyphen:
-      \char_set_catcode_active:N \|
-      \char_set_catcode_active:N \^
       \chemmacros_define_deprecated:NN \| |
       \chemmacros_define_deprecated:NN \^ ^
-      \chemmacros_iupac_aux:n
-  }
-
-\cs_new_protected:Npn \chemmacros_iupac_aux:n #1
-  {
-      #1
+      \tl_set_rescan:Nnn \l__chemmacros_tmpa_tl
+        {
+          \char_set_catcode_active:N \|
+          \char_set_catcode_active:N \^
+        }
+        {#1}
+      \l__chemmacros_tmpa_tl
     \group_end:
   }
+
+% \cs_new_protected:Npn \chemmacros_iupac_aux:n #1
+%   {
+%       #1
+%     \group_end:
+%   }
 \group_end:
 
 % Thanks to Joseph Wright and Enrico Gregorio for the help on the curious
@@ -1420,31 +1425,16 @@
 \tl_new:N  \l__chemmacros_k_base_tl
 \tl_new:N  \l__chemmacros_k_water_tl
 
-\bool_new:N \l__chemmacros_subscript_lowercase_bool
+% \bool_new:N \l__chemmacros_subscript_lowercase_bool
 
 \tl_set:Nn \l__chemmacros_k_acid_tl
-  {
-    \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
-      { \tl_to_lowercase:f }
-      { \use:n }
-    { \chemmacros_translate:n { K-acid } }
-  }
+  { \chemmacros_translate:n {K-acid} }
 
 \tl_set:Nn \l__chemmacros_k_base_tl
-  {
-    \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
-      { \tl_to_lowercase:f }
-      { \use:n }
-    { \chemmacros_translate:n { K-base } }
-  }
+  { \chemmacros_translate:n {K-base} }
 
 \tl_set:Nn \l__chemmacros_k_water_tl
-  {
-    \bool_if:NTF \l__chemmacros_subscript_lowercase_bool
-      { \tl_to_lowercase:f }
-      { \use:n }
-    { \chemmacros_translate:n { K-water } }
-  }
+  { \chemmacros_translate:n {K-water} }
 
 \keys_define:nn { chemmacros / acid-base }
   {
@@ -1455,11 +1445,11 @@
     K-acid              .tl_set:N = \l__chemmacros_k_acid_tl ,
     K-base              .tl_set:N = \l__chemmacros_k_base_tl ,
     K-water             .tl_set:N = \l__chemmacros_k_water_tl ,
-    subscript           .choice: ,
-    subscript / lowercase .code:n =
-      \bool_set_true:N \l__chemmacros_subscript_lowercase_bool ,
-    subscript / uppercase .code:n =
-      \bool_set_false:N \l__chemmacros_subscript_lowercase_bool
+    subscript           .code:n   = \chemmacros_option_deprecated:n {#1}
+    % subscript / lowercase .code:n =
+    %   \bool_set_true:N \l__chemmacros_subscript_lowercase_bool ,
+    % subscript / uppercase .code:n =
+    %   \bool_set_false:N \l__chemmacros_subscript_lowercase_bool
   }
 
 \cs_new_eq:NN \chemmacros_p_style:n \textup
@@ -2122,6 +2112,10 @@
     \leftmargin\z@
   }
 \tl_new:N  \l__chemmacros_nmr_position_tl
+\tl_new:N  \l__chemmacros_nmr_element_method_connector_tl
+\tl_set:Nn \l__chemmacros_nmr_element_method_connector_tl {-}
+\tl_new:N  \l__chemmacros_nmr_method_tl
+\tl_set:Nn \l__chemmacros_nmr_method_tl {NMR}
 
 \bool_new:N      \l__chemmacros_nmr_coupling_nuclei_sub_bool
 \bool_new:N      \l__chemmacros_nmr_frequency_bool
@@ -2137,6 +2131,18 @@
 \bool_new:N      \l__chemmacros_nmr_custom_command_active_bool
 \bool_new:N      \l__chemmacros_nmr_custom_command_used_bool
 
+\cs_new_protected:Npn \__chemmacros_nmr_nucleus:nn #1#2
+  {
+    \tl_gset:Nn \g__chemmacros_nmr_isotope_tl { #1 }
+    \tl_if_in:nnTF { #2 } { [ }
+      { \__chemmacros_nmr_element:w #2 \q_stop }
+      {
+        \tl_gset:No \g__chemmacros_nmr_element_tl { #2 }
+        \tl_gclear:N \g__chemmacros_nmr_element_coupled_tl
+      }
+  }
+\cs_generate_variant:Nn \__chemmacros_nmr_nucleus:nn { VV }
+
 \cs_new_protected:Npn \__chemmacros_nmr_nucleus:w #1,#2 \q_stop
   {
     \tl_gset:Nn \g__chemmacros_nmr_isotope_tl { #1 }
@@ -2168,11 +2174,12 @@
         \tl_put_right:Nn \g__chemmacros_nmr_element_coupled_tl { \} }
       }
     \tl_put_left:Nn \g__chemmacros_nmr_element_coupled_tl { #2 }
-    \iupac { \chemmacros_superscript: { #1 } }
+    \iupac { ^ { #1 } }
     \bool_if:NTF \l__chemmacros_nmr_parse_bool
       { \chemformula_ch:nV {} \g__chemmacros_nmr_element_coupled_tl }
       { \chemmacros_atom:V \g__chemmacros_nmr_element_coupled_tl }
-    - NMR
+    \tl_use:N \l__chemmacros_nmr_element_method_connector_tl
+    \tl_use:N \l__chemmacros_nmr_method_tl
   }
 \cs_generate_variant:Nn \__chemmacros_nmr_base:nn { VV }
 
@@ -2200,6 +2207,8 @@
       { \__chemmacros_nmr_default_nucleus:w #1 \q_stop } ,
     nucleus       .default:n     = { 1,H } ,
     format        .tl_set:N      = \l__chemmacros_nmr_format_tl ,
+    method        .tl_set:N      = \l__chemmacros_nmr_method_tl ,
+    connector     .tl_set:N      = \l__chemmacros_nmr_element_method_connector_tl ,
     pos-number    .choice: ,
     pos-number / sub  .code:n =
       \tl_set:Nn \l__chemmacros_nmr_position_tl { _ }
@@ -2335,9 +2344,9 @@
             { \bool_set_true:N \l__chemmacros_nmr_comma_bool }
           \tl_if_empty:nTF { #2 }
             {
-              \__chemmacros_nmr_nucleus:w
-                \l__chemmacros_nmr_isotope_default_tl ,
-                \l__chemmacros_nmr_element_default_tl \q_stop
+              \__chemmacros_nmr_nucleus:VV
+                \l__chemmacros_nmr_isotope_default_tl
+                \l__chemmacros_nmr_element_default_tl
             }
             { \__chemmacros_nmr_nucleus:w #2 \q_stop }
           \mode_if_math:TF
@@ -2456,20 +2465,20 @@
 
 \cs_new_protected:Npn \chemmacros_nmr_position:n #1
   {
-        \chemmacros_chemformula:x
-          {
-            \exp_not:V \g__chemmacros_nmr_element_tl
-            \bool_if:NF \l__chemmacros_nmr_position_side_bool
-              {
-                \exp_not:V \l__chemmacros_nmr_position_tl
-                \exp_not:n { {#1} }
-              }
-          }
-        \bool_if:NT \l__chemmacros_nmr_position_side_bool
+    \chemmacros_chemformula:x
+      {
+        \exp_not:V \g__chemmacros_nmr_element_tl
+        \bool_if:NF \l__chemmacros_nmr_position_side_bool
           {
-            \tl_use:N \l__chemmacros_nmr_position_tl
-            \__chemmacros_nmr_position:n { #1 }
+            \exp_not:V \l__chemmacros_nmr_position_tl
+            \exp_not:n { {#1} }
           }
+      }
+    \bool_if:NT \l__chemmacros_nmr_position_side_bool
+      {
+        \tl_use:N \l__chemmacros_nmr_position_tl
+        \__chemmacros_nmr_position:n { #1 }
+      }
   }
 
 \cs_new_protected:Npn \chemmacros_nmr_coupling:w
@@ -2576,9 +2585,9 @@
     \tl_set:Nx \l__chemmacros_tmpa_tl
       { \chemmacros_remove_backslash:N #1 }
     \cs_if_free:NF #1
-      { \msg_error:nnn { chemmacros } { new-phase } { #1 } }
-    \exp_args:Nx \DeclareTranslationFallback
-      { phase-\l__chemmacros_tmpa_tl } { #2 }
+      { \msg_error:nnn {chemmacros} {new-phase} {#1} }
+    \exp_args:Nx \@trnslt@declare@translation
+      { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
     \__chemmacros_define_phase:Nx #1
       {
         \exp_not:N \chemmacros_translate:n
@@ -2590,8 +2599,8 @@
   {
     \tl_set:Nx \l__chemmacros_tmpa_tl
       { \chemmacros_remove_backslash:N #1 }
-    \exp_args:Nx \DeclareTranslationFallback
-      { phase-\l__chemmacros_tmpa_tl } { #2 }
+    \exp_args:Nx \@trnslt@declare@translation
+      { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
     \__chemmacros_define_phase:Nx #1
       {
         \exp_not:N \chemmacros_translate:n
@@ -2603,10 +2612,10 @@
   {
     \tl_set:Nx \l__chemmacros_tmpa_tl
       { \chemmacros_remove_backslash:N #1 }
-    \cs_if_free:NT #1
-      { \msg_error:nnn { chemmacros } { renew-phase } { #1 } }
-    \exp_args:Nx \DeclareTranslationFallback
-      { phase-\l__chemmacros_tmpa_tl } { #2 }
+    \cs_if_exist:NF #1
+      { \msg_error:nnn {chemmacros} {renew-phase} {#1} }
+    \exp_args:Nx \@trnslt@declare@translation
+      { phase-\l__chemmacros_tmpa_tl } {fallback} {#2}
     \__chemmacros_define_phase:Nx #1
       {
         \exp_not:N \chemmacros_translate:n
@@ -2615,40 +2624,46 @@
   }
 
 \NewDocumentCommand \NewChemPhase { mom }
-  { \chemmacros_new_phase:Nn #1 { #3 } }
+  { \chemmacros_new_phase:Nn #1 {#3} }
 
 \NewDocumentCommand \DeclareChemPhase { mom }
-  { \chemmacros_define_phase:Nn #1 { #3 } }
+  { \chemmacros_define_phase:Nn #1 {#3} }
 
 \NewDocumentCommand \RenewChemPhase { mom }
-  { \chemmacros_renew_phase:Nn #1 { #3 } }
+  { \chemmacros_renew_phase:Nn #1 {#3} }
 
 \cs_new_protected:Npn \__chemmacros_define_phase:Nn #1#2
   {
-    \cs_if_free:NT #1 { \cs_new:Npn #1 {} }
-    \cs_set_protected:Npn #1
+    \cs_if_exist:NF #1 { \cs_new:Npn #1 {} }
+    \DeclareDocumentCommand #1 { o }
       {
         \bool_if:NTF \l__chemmacros_phases_sub_bool
           {
             \bool_if:NTF \l_chemformula_inside_ch_bool
-              { \chemformula_subscript:n { ( #2 ) } }
-              { \ensuremath { \c_math_subscript_token { \text { (#2) } } } }
+              { \chemformula_subscript:n { ( #2 \IfNoValueF {##1} {,~##1} ) } }
+              {
+                \ensuremath
+                  {
+                    \c_math_subscript_token
+                    { \text { ( #2 \IfNoValueF {##1} {,~##1} ) } }
+                  }
+              }
           }
           {
             \ensuremath
               {
                 \skip_horizontal:N \l__chemmacros_phases_space_dim
-                \text { (#2) }
+                \text { ( #2 \IfNoValueF {##1} {,~##1} ) }
               }
           }
       }
-  } 
+  }
 \cs_generate_variant:Nn \__chemmacros_define_phase:Nn { Nx }
 
-\NewChemPhase\sld{ s }
-\NewChemPhase\lqd{ l }
-\NewChemPhase\gas{ g }
-\NewChemPhase\aq { aq }
+\NewChemPhase \sld {s}
+\NewChemPhase \lqd {l}
+\NewChemPhase \gas {g}
+\NewChemPhase \aq  {aq}
 
 \cs_new_protected:Npn \chemmacros_phase:n #1
   {
@@ -2664,7 +2679,7 @@
   }
 
 \NewDocumentCommand \phase { m }
-  { \chemmacros_phase:n { #1 } }
+  { \chemmacros_phase:n {#1} }
 
 % --------------------------------------------------------------------------
 % reaction environments
@@ -4063,15 +4078,14 @@
 % --------------------------------------------------------------------------
 % language support -- provided through `translations'
 % equilibrium constants:
-\DeclareTranslationFallback {K-acid}  {A}
-\DeclareTranslation{German} {K-acid}  {S}
-\DeclareTranslation{Dutch}  {K-acid}  {Z}
+\DeclareTranslationFallback {K-acid}  {\mathrm{a}}
+\DeclareTranslation{German} {K-acid}  {\mathrm{s}}
+\DeclareTranslation{Dutch}  {K-acid}  {\mathrm{z}}
+
+\DeclareTranslationFallback {K-base}  {\mathrm{b}}
 
-\DeclareTranslationFallback {K-base}  {B}
-% \DeclareTranslation{Dutch} {K-base}  {B}
+\DeclareTranslationFallback {K-water} {\mathrm{w}}
 
-\DeclareTranslationFallback {K-water} {W}
-% \DeclareTranslation{Dutch} {K-water} {W}
 % phases:
 \DeclareTranslation{German}{phase-sld}{ f }
 \DeclareTranslation{German}{phase-lqd}{ f{}l }
@@ -4352,10 +4366,18 @@ Version history
 2014/08/08 - version 4.6  - from bundle to packages: packages `chemformula',
                             `ghsystem' and `chemgreek' no longer belong to the
                             bundle but now are packages of their own.
+2015/02/08 - version 4.7  - fix \iupac so active letters like | still work
+                            inside other macros (\section, ...)
+                          - Change the default subscripts of the equilibrium
+                            constants to match the usage in the IUPAC Green
+                            Book
+                          - allow \NewChemPhase and friends after \begin{document}
+                          - new optional argument to phase commands
+                          - new options `nmr/method' and `nmr/connector'
 
 % --------------------------------------------------------------------------- %
 % TODO:
 - add d-orbitals
 - make electron movement arrow tips (`el', `left el' and `right el') public
-- make | and ^ active inside \iupac and use them instead of \| and \^
+- phase commands with arguments (see http://texwelt.de/wissen/fragen/9264)