chemmacros (30jan12)

git-svn-id: svn://tug.org/texlive/trunk@25241 c570f23f-e606-0410-a88d-b1316a301751

4 files changed, 2691 insertions, 249 deletions

diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
new file mode 100644
index 00000000000..c6f338ecbd6
--- /dev/null
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemformula.sty
@@ -0,0 +1,1488 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% --------------------------------------------------------------------------- %
+% - the CHEMMACROS bundle                                                   - %
+% - chemformula.sty                                                         - %
+% - macros and commands for chemists                                        - %
+% --------------------------------------------------------------------------- %
+% - Clemens Niederberger                                                    - %
+% - 2012/01/30                                                              - %
+% --------------------------------------------------------------------------- %
+% - http://www.mychemistry.eu/                                              - %
+% - contact@mychemistry.eu                                                  - %
+% --------------------------------------------------------------------------- %
+% - If you have any ideas, questions, suggestions or bugs to report, please - %
+% - feel free to contact me.                                                - %
+% --------------------------------------------------------------------------- %
+% - Copyright 2011-2012 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 }
+\ProvidesExplPackage {chemformula} {2012/01/30} {3.0a} {typeset chemical compounds and reactions}
+
+%-----------------------------------------------------------------------------%
+% WARNING AND ERROR MESSAGES
+\msg_set:nnnn { chemformula } { missing-argument }
+  {
+    Wrong~name~input~ \msg_line_context: .
+  }
+  {
+    Maybe~you've~forgotten~to~add~the~second~argument~to~name~syntax?~
+    "!(<name>)(<chemformula>)".\\
+    Or~you~have~forgotten~to~add~a~group~between~an~exclamation~mark~and~
+    the~following~parenthesis?~"!~{}()"\\
+    Either~way~-~I~don't~know~what~to~do~ \msg_line_context: .
+  }
+
+\msg_set:nnnn { chemformula } { explicit }
+  { It~seems~you've~loaded~`chemformula'~explicitly. }
+  {
+    It~seems~you've loaded~`chemformula'~explicitly.~This~should~work~but~the~
+    recommended~way~is~to~load~it~via~the~bundle,~i.e.~by~using~
+    \token_to_str:N \usepackage \{ chemmacros \}.
+  }
+
+%-----------------------------------------------------------------------------%
+% test, if we are loaded without the `chemmacros' package
+\cs_if_exist:cF { ver@chemmacros.sty }
+  { \msg_warning:nn { chemformula } { explicit } }
+
+% pass options to the `chemmacros' package
+\DeclareOption*
+  { \PassOptionsToPackage { \CurrentOption } { chemmacros } }
+\ProcessOptions\relax
+
+\RequirePackage { chemmacros , nicefrac }
+
+%-----------------------------------------------------------------------------%
+% HELPER FUNCTIONS
+\cs_new: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
+  { \draw [ #1 ] #2 ;  }
+\cs_generate_variant:Nn \chemformula_draw:nn { xn,nx,xx,xf }
+
+%-----------------------------------------------------------------------------%
+% Some basic internal commands:
+\cs_new:Nn \chemformula_plus:
+  {
+    \bool_if:nTF { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
+      {
+        \bool_if:NTF \l_chemmacros_circled_chem_bool
+          { \chemmacros_fplus: }
+          { \mode_if_math:TF { \oplus } { $ \oplus $ } }
+      }
+      {
+        \bool_if:NTF \l_chemformula_charge_style_math_bool
+          { \ensuremath { + } }
+          { \mode_if_math:TF { \text { + } } { + } }
+      }
+  }
+
+\cs_new:Nn \chemformula_minus:
+  {
+    \bool_if:nTF { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
+      {
+        \bool_if:NTF \l_chemmacros_circled_chem_bool
+          { \chemmacros_fminus: }
+          { \mode_if_math:TF { \ominus } { $ \ominus $ } }
+      }
+      {
+        \bool_if:NTF \l_chemformula_charge_style_math_bool
+          { \ensuremath { - } }
+          { \mode_if_math:TF { \text { \textendash } } { \textendash } }
+      }
+  }
+
+\cs_new:Nn \chemformula_radical: { \textperiodcentered }
+\cs_new:Nn \chemformula_adduct:
+  {
+    \skip_horizontal:N \l_chemformula_cdot_space_dim
+    \textperiodcentered
+    \skip_horizontal:N \l_chemformula_cdot_space_dim
+  }
+
+%-----------------------------------------------------------------------------%
+% ARROW DEFINITION
+% arrow heads:
+\dim_new:N \l_chemformula_arrow_head_dim
+
+% full tip for pairs
+\pgfarrowsdeclare { cf } { cf }
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemformula_arrow_head_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemformula_arrow_head_dim }
+        { .3\l_chemformula_arrow_head_dim }
+    }
+  \pgfpathlineto
+    { \pgfpoint { -.5\l_chemformula_arrow_head_dim } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemformula_arrow_head_dim }
+        { -.3\l_chemformula_arrow_head_dim }
+    }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+% half tip on the left
+\pgfarrowsdeclare { left~cf } { left~cf }
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemformula_arrow_head_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemformula_arrow_head_dim }
+        { .3\l_chemformula_arrow_head_dim }
+    }
+  \pgfpathlineto { \pgfpoint { -.5\l_chemformula_arrow_head_dim } { 0pt } }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+% half tip in the right
+\pgfarrowsdeclare { right~cf } { right~cf }
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemformula_arrow_head_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemformula_arrow_head_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemformula_arrow_head_dim }
+        { -.3\l_chemformula_arrow_head_dim }
+    }
+  \pgfpathlineto { \pgfpoint { -.5\l_chemformula_arrow_head_dim } { 0pt } }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+%-----------------------------------------------------------------------------%
+% dimension variables
+\dim_new:N \l_chemformula_arrow_length_dim
+
+\dim_new:N \l_chemformula_arrow_label_offset_dim
+\dim_set:Nn \l_chemformula_arrow_label_offset_dim { 2pt }
+
+\dim_new:N \l_chemformula_arrow_shortage_dim
+\tl_new:N \l_chemformula_arrow_ratio_tl
+\tl_set:Nn \l_chemformula_arrow_ratio_tl { .6 }
+
+\dim_new:N \l_chemformula_arrow_offset_dim
+\dim_set:Nn \l_chemformula_arrow_offset_dim { 1.5ex }
+
+\dim_new:N \l_chemformula_compound_sep_dim
+\dim_set:Nn \l_chemformula_compound_sep_dim { \medskipamount }
+
+\dim_new:N \l_chemformula_arrow_yshift_dim
+\dim_set:Nn \l_chemformula_arrow_yshift_dim { 0pt }
+
+% determine length in dependency of labels
+\cs_new:Npn \chemformula_determine_arrow_length:nn #1#2
+  {
+    \hbox_set:Nn \l_tmpa_box { { #1 } }
+    \dim_set:Nn \l_tmpa_dim { \box_wd:N \l_tmpa_box }
+    \hbox_set:Nn \l_tmpa_box { { #2 } }
+    \dim_set:Nn \l_tmpb_dim { \box_wd:N \l_tmpa_box }
+    \box_clear:N \l_tmpa_box
+    \dim_compare:nTF { \l_tmpa_dim >= \l_tmpb_dim }
+      { \dim_set_eq:NN \l_chemformula_arrow_length_dim \l_tmpa_dim }
+      { \dim_set_eq:NN \l_chemformula_arrow_length_dim \l_tmpb_dim }
+    \dim_add:Nn \l_chemformula_arrow_length_dim
+      { \l_chemformula_arrow_offset_dim }
+    \dim_add:Nn \l_chemformula_arrow_length_dim
+      { \l_chemformula_arrow_offset_dim }
+    \dim_set:Nn \l_chemformula_arrow_shortage_dim
+      {
+        \l_chemformula_arrow_length_dim *
+        \dim_ratio:nn { \l_chemformula_arrow_ratio_tl pt } { 1pt }
+      }
+    \dim_set:Nn \l_chemformula_arrow_shortage_dim
+      { \l_chemformula_arrow_length_dim - \l_chemformula_arrow_shortage_dim }
+    \dim_set:Nn \l_chemformula_arrow_shortage_dim
+      {
+        \l_chemformula_arrow_shortage_dim *
+        \dim_ratio:nn { 1pt } { 2pt }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% define arrow types
+\tl_new:N \l_chemformula_arrow_head_tl
+\tl_set:Nn \l_chemformula_arrow_head_tl { cf }
+\tl_new:N \l_chemformula_upper_label_tl
+\tl_new:N \l_chemformula_lower_label_tl
+\tl_new:N \l_chemformula_arrow_style_tl
+\tl_new:N \l_chemformula_arrow_label_style_tl
+\tl_set:Nn \l_chemformula_arrow_label_style_tl { \footnotesize }
+
+% <->
+\NewDocumentCommand \chemformula_arrow_mesomeric:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nf { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn
+          { \l_chemformula_arrow_head_tl-\l_chemformula_arrow_head_tl , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) ++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+% ->
+\NewDocumentCommand \chemformula_arrow_right:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nn { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn { -\l_chemformula_arrow_head_tl , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) ++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+% <-
+\NewDocumentCommand \chemformula_arrow_left:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nn { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn { \l_chemformula_arrow_head_tl- , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim)++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+% <=>
+\NewDocumentCommand \chemformula_arrow_equilibrium:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nn { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn { -left~\l_chemformula_arrow_head_tl , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim,.429em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+          }
+        \chemformula_draw:xn { left~\l_chemformula_arrow_head_tl- , \l_chemformula_arrow_style_tl }
+          {
+            (chemformula_arrow_start) ++
+            (\l_chemformula_compound_sep_dim,.2574em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) ++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+% <=>>
+\NewDocumentCommand \chemformula_arrow_equilibrium_right:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nn { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn { -left~\l_chemformula_arrow_head_tl , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim,.429em) ++ (0,\dim_use:N \l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+          }
+        \chemformula_draw:xn { left~\l_chemformula_arrow_head_tl- , \l_chemformula_arrow_style_tl }
+          {
+            (chemformula_arrow_start) ++
+            (\l_chemformula_compound_sep_dim + \l_chemformula_arrow_shortage_dim,.2574em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim -2*\l_chemformula_arrow_shortage_dim , 0)
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) ++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+% <<=>
+\NewDocumentCommand \chemformula_arrow_equilibrium_left:w { O{}O{} }
+  {
+    \chemformula_determine_arrow_length:nn { #1 } { #2 }
+    \chemformula_tikz:nn { inner~sep=0, baseline=(chemformula_arrow_start.base) }
+      {
+        \chemformula_draw:xn { -left~\l_chemformula_arrow_head_tl , \l_chemformula_arrow_style_tl }
+          {
+            coordinate (chemformula_arrow_start) (0,0)
+            ++ (\l_chemformula_compound_sep_dim + \l_chemformula_arrow_shortage_dim,.429em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim - 2*\l_chemformula_arrow_shortage_dim , 0)
+            node[pos=.5,above=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #1 }
+          }
+        \chemformula_draw:xn { left~\l_chemformula_arrow_head_tl- , \l_chemformula_arrow_style_tl }
+          {
+            (chemformula_arrow_start) ++ (\l_chemformula_compound_sep_dim,.2574em) ++ (0,\l_chemformula_arrow_yshift_dim) -- ++
+            ( \dim_use:N \l_chemformula_arrow_length_dim , 0)
+            node[pos=.5,below=\l_chemformula_arrow_label_offset_dim,font=\l_chemformula_arrow_label_style_tl,butt~cap-butt~cap] { #2 }
+          }
+        \chemformula_draw:nn {}
+          {
+            (\l_chemformula_compound_sep_dim,.3432em) ++ (0,\l_chemformula_arrow_yshift_dim) ++
+            ( \l_chemformula_compound_sep_dim + \dim_use:N \l_chemformula_arrow_length_dim , 0)
+          }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% arrow customization
+\keys_define:nn { chemmacros / chemformula }
+  {
+    arrow-offset .dim_set:N = \l_chemformula_arrow_offset_dim ,
+    arrow-yshift .dim_set:N = \l_chemformula_arrow_yshift_dim ,
+    arrow-ratio  .tl_set:N  = \l_chemformula_arrow_ratio_tl ,
+    label-offset .dim_set:N = \l_chemformula_arrow_label_offset_dim ,
+    compound-sep .dim_set:N = \l_chemformula_compound_sep_dim ,
+    arrow-tips   .tl_set:N  = \l_chemformula_arrow_head_tl ,
+    arrow-style  .tl_set:N  = \l_chemformula_arrow_style_tl ,
+    label-style  .tl_set:N  = \l_chemformula_arrow_label_style_tl
+  }
+
+%-----------------------------------------------------------------------------%
+% MAIN COMMAND
+\NewDocumentCommand \chemformula_ch_aux_iii:w { > { \SplitList { ~ } } m }
+  {
+    \group_begin:
+      \tl_if_blank:oF { \g_chemformula_options_tl }
+        { \keys_set:no { chemmacros / chemformula } { \g_chemformula_options_tl } }
+      \tl_map_function:nN { #1 } \chemformula_input:n
+      \chemformula_generate_arrows:N \l_chemformula_input_tl
+      \chemformula_generate_name:N \l_chemformula_output_tl
+      \tl_set_rescan:Nno \l_chemformula_output_tl
+        { \ExplSyntaxOn }
+        { \l_chemformula_output_tl }
+      \chemformula_write:n { \l_chemformula_output_tl }
+    \group_end:
+  }
+
+\cs_new:Nn \chemformula_ch:nn
+  {
+    \group_align_safe_begin:
+      \IfNoValueTF { #1 }
+        { \tl_gclear:N \g_chemformula_options_tl }
+        { \tl_gset:Nn \g_chemformula_options_tl { #1 } }
+      \chemformula_ch_aux_i:w #2 \\ \q_no_value \q_stop
+    \group_align_safe_end:
+    \tl_use:N \g_chemformula_output_tl
+    \tl_gclear:N \g_chemformula_output_tl
+  }
+
+\cs_new:Npn \chemformula_ch_aux_i:w #1 \\ #2 \q_stop
+  {
+    \chemformula_ch_aux_ii:w #1 & \q_no_value \q_stop
+    \quark_if_no_value:nF { #2 }
+      {
+        \tl_gput_right:Nn \g_chemformula_output_tl { \\ }
+        \chemformula_ch_aux_i:w #2 \q_stop
+      }
+  }
+
+\cs_new:Npn \chemformula_ch_aux_ii:w #1 & #2 \q_stop
+  {
+    \tl_gput_right:Nn \g_chemformula_output_tl { \chemformula_ch_aux_iii:w { #1 } }
+    \quark_if_no_value:nF { #2 }
+      {
+        \tl_gput_right:Nn \g_chemformula_output_tl { & }
+        \chemformula_ch_aux_ii:w #2 \q_stop
+      } 
+  }
+
+% user command:
+\NewDocumentCommand \ch { om }
+  { \chemformula_ch:nn { #1 } { #2 } }
+
+\cs_new:Npn \chemformula_write:n #1
+  {
+    \mode_if_math:TF
+      {
+        \mathchoice
+          { \hbox:n { #1 } }
+          { \hbox:n { #1 } }
+          { \hbox:n { \scriptsize #1 } }
+          { \hbox:n { \tiny #1 } }
+      }
+      { #1 }
+  }
+
+%-----------------------------------------------------------------------------%
+% arrow generation & detection
+\cs_new:Npn \chemformula_generate_arrows:n #1
+  {
+    \tl_set:No \l_tmpa_tl { #1 }
+    \tl_if_in:onT { \l_tmpa_tl } { <-> }
+      { \tl_replace_all:Nnn \l_tmpa_tl { <-> } { \chemformula_arrow_mesomeric:w } }
+    \tl_if_in:onT { \l_tmpa_tl } { -> }
+      { \tl_replace_all:Nnn \l_tmpa_tl { -> } { \chemformula_arrow_right:w } }
+    \tl_if_in:onT { \l_tmpa_tl } { <- }
+      { \tl_replace_all:Nnn \l_tmpa_tl { <- } { \chemformula_arrow_left:w } }
+    \tl_if_in:onT { \l_tmpa_tl } { glgw_l }
+      { \tl_replace_all:Nnn \l_tmpa_tl { glgw_l } { \chemformula_arrow_equilibrium_left:w } }
+    \tl_if_in:onT { \l_tmpa_tl } { <=>> }
+      { \tl_replace_all:Nnn \l_tmpa_tl { <=>> } { \chemformula_arrow_equilibrium_right:w } }
+    \tl_if_in:onT { \l_tmpa_tl } { <=> }
+      { \tl_replace_all:Nnn \l_tmpa_tl { <=> } { \chemformula_arrow_equilibrium:w } }
+    \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
+  }
+\cs_generate_variant:Nn \chemformula_generate_arrows:n { N }
+
+\cs_new:Npn \chemformula_detect_arrows:n #1
+  {
+    \bool_set_false:N \l_chemformula_is_arrow_bool
+    \tl_set:No \l_tmpa_tl { #1 }
+    \tl_if_in:onT { \l_tmpa_tl } { <-> }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+    \tl_if_in:onT { \l_tmpa_tl } { -> }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+    \tl_if_in:onT { \l_tmpa_tl } { <- }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+    \tl_if_in:onT { \l_tmpa_tl } { <=>> }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+    \tl_if_in:onT { \l_tmpa_tl } { glgw_l }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+    \tl_if_in:onT { \l_tmpa_tl } { <=> }
+      { \bool_set_true:N \l_chemformula_is_arrow_bool }
+  }
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% compound names
+\dim_new:N \l_chemformula_name_dim
+
+\cs_new:Npn \chemformula_name_cmpd:w
+  { \peek_meaning:NTF { ( } { \chemformula_name_cmpd_aux:w } { ! } }
+
+\cs_new:Npn \chemformula_name_cmpd_aux:w (#1)(#2)
+  {
+    \(
+    \underset
+      {
+        \bool_if:NF \l_chemformula_name_width_bool
+          {
+            \width_to_dim:Nn \l_chemformula_name_dim
+              { \l_chemformula_name_format_tl #1 }
+          }
+        \parbox
+          { \dim_use:N \l_chemformula_name_dim }
+          { \l_chemformula_name_format_tl #1 }
+      }
+      { \text { \vphantom{\gas} #2 } }
+    \)
+  }
+
+\cs_new:Npn \width_to_dim:nn #1#2
+  {
+    \hbox_set:Nn \l_tmpa_box { #2 }
+    \dim_set:Nn #1 { \box_wd:N \l_tmpa_box }
+    \box_clear:N \l_tmpa_box
+  }
+\cs_generate_variant:Nn \width_to_dim:nn { Nn }
+
+\cs_new:Npn \chemformula_generate_name:n #1
+  {
+    \tl_set:No \l_tmpa_tl { #1 }
+    \tl_if_in:onT { \l_tmpa_tl } { ! }
+      { \tl_replace_all:Nnn \l_tmpa_tl { ! } { \chemformula_name_cmpd:w } }
+    \tl_set_eq:NN \l_chemformula_output_tl \l_tmpa_tl
+  }
+\cs_generate_variant:Nn \chemformula_generate_name:n { N }
+
+\cs_new:Npn \chemformula_detect_name:n #1
+  {
+     \bool_set_false:N \l_chemformula_is_name_bool
+     \tl_set:No \l_tmpa_tl { #1 }
+     \tl_if_in:onT { \l_tmpa_tl } { ! }
+       { \bool_set_true:N \l_chemformula_is_name_bool }
+  }
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% parsing input
+% booleans:
+\bool_new:N \l_chemformula_stoich_bool
+\bool_new:N \l_chemformula_is_plus_bool
+\bool_new:N \l_chemformula_is_up_bool
+\bool_new:N \l_chemformula_is_down_bool
+\bool_new:N \l_chemformula_is_arrow_bool
+\bool_new:N \l_chemformula_is_name_bool
+\bool_new:N \l_chemformula_first_last_text_bool
+\bool_new:N \l_chemformula_first_last_double_bool
+\bool_new:N \l_chemformula_first_last_single_bool
+\bool_new:N \l_chemformula_first_last_math_bool
+\bool_new:N \l_chemformula_number_style_math_bool
+\bool_new:N \l_chemformula_charge_style_math_bool
+\bool_new:N \l_chemformula_sub_bool
+\bool_new:N \l_chemformula_sup_bool
+\bool_new:N \l_chemformula_xfrac_bool
+\bool_new:N \l_chemformula_nicefrac_bool
+\bool_new:N \l_chemformula_mathfrac_bool
+  \bool_set_true:N \l_chemformula_mathfrac_bool
+\bool_new:N \l_chemformula_fss_bool
+\bool_new:N \l_chemformula_fontspec_bool
+\bool_new:N \l_chemformula_fss_family_bool
+\bool_new:N \l_chemformula_fss_series_bool
+\bool_new:N \l_chemformula_fss_shape_bool
+\bool_new:N \l_chemformula_name_width_bool
+\bool_new:N \l_chemformula_charge_shift_bool
+
+% token lists:
+\tl_new:N \l_chemformula_tmpa_tl
+\tl_new:N \g_chemformula_options_tl
+\tl_new:N \g_chemformula_output_tl
+\tl_new:N \l_chemformula_output_tl
+\tl_new:N \l_chemformula_input_tl
+\tl_new:N \l_chemformula_stoich_tl
+\tl_new:N \l_chemformula_decimal_output_tl
+  \tl_set:Nn \l_chemformula_decimal_output_tl { . }
+\tl_new:N \l_chemformula_font_family_tl
+  \tl_set_eq:NN \l_chemformula_font_family_tl \f@family
+\tl_new:N \l_chemformula_font_series_tl
+  \tl_set_eq:NN \l_chemformula_font_series_tl \f@series
+\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_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 }
+
+% dimensions:
+\dim_new:N \l_chemformula_stoich_space_dim
+  \dim_set:Nn \l_chemformula_stoich_space_dim { .1667em }
+\dim_new:N \l_chemformula_math_space_dim
+  \dim_set:Nn \l_chemformula_math_space_dim { .1667em }
+\dim_new:N \l_chemformula_plus_space_dim
+  \dim_set:Nn \l_chemformula_plus_space_dim { .3em }
+\dim_new:N \l_chemformula_cdot_space_dim
+  \dim_set:Nn \l_chemformula_cdot_space_dim { .1333em }
+\dim_new:N \l_chemformula_charge_shift_dim
+  \dim_set:Nn \l_chemformula_charge_shift_dim { .3ex }
+\dim_new:N \l_chemformula_subscript_shift_default_dim
+  \dim_set:Nn \l_chemformula_subscript_shift_default_dim { -.6ex }
+\dim_new:N \l_chemformula_subscript_shift_dim
+  \dim_set_eq:NN
+    \l_chemformula_subscript_shift_dim
+    \l_chemformula_subscript_shift_default_dim
+\dim_new:N \l_chemformula_subscript_shift_additional_dim
+\dim_new:N \l_chemformula_subscript_dim
+  \dim_zero:N \l_chemformula_subscript_dim
+\dim_new:N \l_chemformula_supscript_dim
+  \dim_zero:N \l_chemformula_supscript_dim
+\dim_new:N \l_chemformula_bond_dim
+  \hbox_set:Nn \l_tmpa_box { \textendash }
+  \dim_set:Nn \l_chemformula_bond_dim { \box_wd:N \l_tmpa_box }
+  \box_clear:N \l_tmpa_box
+
+% integers:
+\int_new:N \l_chemformula_count_tokens_int
+
+% property lists:
+% behaviour in a compound
+\prop_new:N \l_chemformula_cmpd_prop
+\prop_put:Nnn \l_chemformula_cmpd_prop { 0 } { \chemformula_subscript:n { 0 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 1 } { \chemformula_subscript:n { 1 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 2 } { \chemformula_subscript:n { 2 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 3 } { \chemformula_subscript:n { 3 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 4 } { \chemformula_subscript:n { 4 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 5 } { \chemformula_subscript:n { 5 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 6 } { \chemformula_subscript:n { 6 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 7 } { \chemformula_subscript:n { 7 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 8 } { \chemformula_subscript:n { 8 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { 9 } { \chemformula_subscript:n { 9 } }
+\prop_put:Nnn \l_chemformula_cmpd_prop { * } { \chemformula_adduct: }
+\prop_put:Nnn \l_chemformula_cmpd_prop { . } { \chemformula_adduct: }
+\prop_put:Nnn \l_chemformula_cmpd_prop { - } { \chemformula_single_bond: }
+\prop_put:Nnn \l_chemformula_cmpd_prop { = } { \chemformula_double_bond: }
+\prop_put:Nnn \l_chemformula_cmpd_prop { + } { \chemformula_triple_bond: }
+
+% numbers
+\prop_new:N \l_chemformula_numbers_prop
+\prop_put:Nnn \l_chemformula_numbers_prop { 0 } { 0 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 1 } { 1 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 2 } { 2 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 3 } { 3 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 4 } { 4 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 5 } { 5 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 6 } { 6 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 7 } { 7 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 8 } { 8 }
+\prop_put:Nnn \l_chemformula_numbers_prop { 9 } { 9 }
+
+% behaviour in a charge
+\prop_new:N \l_chemformula_charge_prop
+\prop_put:Nnn \l_chemformula_charge_prop { 0 } { \chemformula_charge_style:n { 0 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 1 } { \chemformula_charge_style:n { 1 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 2 } { \chemformula_charge_style:n { 2 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 3 } { \chemformula_charge_style:n { 3 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 4 } { \chemformula_charge_style:n { 4 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 5 } { \chemformula_charge_style:n { 5 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 6 } { \chemformula_charge_style:n { 6 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 7 } { \chemformula_charge_style:n { 7 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 8 } { \chemformula_charge_style:n { 8 } }
+\prop_put:Nnn \l_chemformula_charge_prop { 9 } { \chemformula_charge_style:n { 9 } }
+\prop_put:Nnn \l_chemformula_charge_prop { + } { \chemformula_plus: }
+\prop_put:Nnn \l_chemformula_charge_prop { - } { \chemformula_minus: }
+\prop_put:Nnn \l_chemformula_charge_prop { . } { \chemformula_radical: }
+
+% stoichiometric factors
+\prop_new:N \l_chemformula_stoich_prop
+\prop_put:Nnn \l_chemformula_stoich_prop { 0 } { 0 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 1 } { 1 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 2 } { 2 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 3 } { 3 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 4 } { 4 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 5 } { 5 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 6 } { 6 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 7 } { 7 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 8 } { 8 }
+\prop_put:Nnn \l_chemformula_stoich_prop { 9 } { 9 }
+\prop_put:Nnn \l_chemformula_stoich_prop { . } { { \l_chemformula_decimal_output_tl } }
+\prop_put:Nnn \l_chemformula_stoich_prop { , } { { \l_chemformula_decimal_output_tl } }
+\prop_put:Nnn \l_chemformula_stoich_prop { / } { / }
+\prop_put:Nnn \l_chemformula_stoich_prop { _ } { _ }
+
+%-----------------------------------------------------------------------------%
+% bonds:
+\cs_new:Npn \chemformula_single_bond:
+  {
+    \bool_if:NTF \l_chemformula_sup_bool
+      { \chemformula_minus: }
+      {
+      \chemformula_tikz:nn { inner~sep=0, outer~sep=0 }
+        {
+           \draw node[draw=none,minimum~height=1em,minimum~width=0]
+             (chemformula-single-bond) at (0,0) {} ;
+           \draw[butt~cap-butt~cap] (chemformula-single-bond) ++ (0,-.1716em)
+             -- ++( \l_chemformula_bond_dim ,0) ;
+        }
+    }
+  }
+
+\cs_new:Npn \chemformula_double_bond:
+  {
+    \chemformula_tikz:nn { inner~sep=0, outer~sep=0 }
+      {
+         \draw node[draw=none,minimum~height=1em,minimum~width=0] (chemformula-double-bond) at (0,0) {} ;
+         \draw[butt~cap-butt~cap] (chemformula-double-bond) ++ (0,-.0858em) -- ++( \l_chemformula_bond_dim ,0) ;
+         \draw[butt~cap-butt~cap] (chemformula-double-bond) ++ (0,-.2574em) -- ++( \l_chemformula_bond_dim ,0) ;
+      }
+  }
+
+\cs_new:Npn \chemformula_triple_bond:
+  {
+    \chemformula_tikz:nn { inner~sep=0, outer~sep=0 }
+      {
+         \draw node[draw=none,minimum~height=1em,minimum~width=0] (chemformula-triple-bond) at (0,0) {} ;
+         \draw[butt~cap-butt~cap] (chemformula-triple-bond) ++ (0,-.0429em) -- ++( \l_chemformula_bond_dim ,0) ;
+         \draw[butt~cap-butt~cap] (chemformula-triple-bond) ++ (0,-.1716em) -- ++( \l_chemformula_bond_dim ,0) ;
+         \draw[butt~cap-butt~cap](chemformula-triple-bond) ++ (0,-.3003em) -- ++( \l_chemformula_bond_dim ,0) ;
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% sub- and superscripts
+\cs_new:Nn \chemformula_number_style:n
+  {
+    \bool_if:NTF \l_chemformula_number_style_math_bool
+      { \ensuremath { #1 } }
+      { \ensuremath { \text { #1 } } }
+  }
+
+\cs_new:Nn \chemformula_charge_style:n
+  {
+    \bool_if:NTF \l_chemformula_charge_style_math_bool
+      { \ensuremath { #1 } }
+      { \ensuremath { \text { #1 } } }
+  }
+
+\cs_new:Npn \chemformula_subscript:n #1
+  {
+    \bool_set_true:N \l_chemformula_sub_bool
+    % clean up wrong input
+    \tl_set:Nn \l_tmpc_tl { #1 }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_single_bond: } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_triple_bond: } {\chemformula_plus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_adduct: } { . }
+    % measure width and save it
+    \hbox_set:Nn \l_tmpa_box
+      {
+        $\mathchoice
+          { \scriptstyle }
+          { \scriptstyle }
+          { \scriptscriptstyle }
+          { \scriptscriptstyle }
+        \prop_get:NnNTF \l_chemformula_numbers_prop { #1 } \l_tmpa_tl
+          { \chemformula_number_style:n { \l_tmpa_tl } }
+          { \chemformula_number_style:n { \l_tmpc_tl } }$
+      }
+    \dim_set:Nn \l_chemformula_subscript_dim { -\box_wd:N \l_tmpa_box }
+    \box_clear:N \l_tmpa_box
+    \bool_if:NT \l_chemformula_sup_bool
+      {
+        \chemformula_sub_or_supscript_skip:
+        \bool_if:NT \l_chemformula_charge_shift_bool
+          {
+            \skip_horizontal:n { \l_chemformula_charge_shift_dim +1pt }
+            \bool_set_false:N \l_chemformula_charge_shift_bool
+          }
+        \dim_zero:N \l_chemformula_supscript_dim
+      }
+    % typeset subscript
+    \tex_raise:D \l_chemformula_subscript_shift_dim
+    \hbox:n
+      {
+        $\mathchoice
+          { \scriptstyle }
+          { \scriptstyle }
+          { \scriptscriptstyle }
+          { \scriptscriptstyle }
+        \prop_get:NnNTF \l_chemformula_numbers_prop { #1 } \l_tmpa_tl
+          { \chemformula_number_style:n { \l_tmpa_tl } }
+          { \chemformula_number_style:n { \l_tmpc_tl } }$
+      }
+    % look ahead what's coming next and set boolean accordingly
+    \peek_meaning:NTF \chemformula_supscript:n
+      { \bool_set_true:N \l_chemformula_sub_bool }
+      {
+        \peek_meaning:NTF \chemformula_chief_supscript:n
+          { \bool_set_true:N \l_chemformula_sub_bool }
+          { \bool_set_false:N \l_chemformula_sub_bool }
+      }
+  }
+\cs_new:Npn \chemformula_supscript:n #1
+  {
+    \bool_set_true:N \l_chemformula_sup_bool
+    % clean up wrong input
+    \tl_set:Nn \l_tmpc_tl { #1 }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_single_bond: } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { - } { \chemformula_minus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_triple_bond: } { \chemformula_plus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { + } { \chemformula_plus: }
+    \tl_replace_all:Nnn \l_tmpc_tl { \chemformula_adduct: } { \chemformula_radical: }
+    \tl_replace_all:Nnn \l_tmpc_tl { . } { \chemformula_radical: }
+    % measure width and save it
+    \prop_get:NnNTF \l_chemformula_charge_prop { #1 } \l_tmpa_tl
+      { \exp_args:NNo \hbox_set:Nn \l_tmpa_box { $ ^ { \chemformula_charge_style:n { \l_tmpa_tl } } $ } }
+      { \exp_args:NNo \hbox_set:Nn \l_tmpa_box { $ ^ { \chemformula_charge_style:n { \l_tmpc_tl } } $ } }
+    \dim_set:Nn \l_chemformula_supscript_dim
+      { -\box_wd:N \l_tmpa_box }
+    \box_clear:N \l_tmpa_box
+    \bool_if:NT \l_chemformula_sub_bool
+      {
+        \chemformula_sub_or_supscript_skip:
+        \skip_horizontal:N \l_chemformula_charge_shift_dim
+        \bool_set_true:N \l_chemformula_charge_shift_bool
+        \dim_zero:N \l_chemformula_subscript_dim
+      }
+    % typeset superscript
+    \prop_get:NnNTF \l_chemformula_charge_prop { #1 } \l_tmpa_tl
+      { $ ^ { \chemformula_charge_style:n { \l_tmpa_tl } } $ }
+      { $ ^ { \chemformula_charge_style:n { \l_tmpc_tl } } $ }
+    % look ahead what's coming next and set boolean accordingly
+    \peek_meaning:NTF \chemformula_subscript:n
+      { \bool_set_true:N \l_chemformula_sup_bool }
+      {
+        \peek_meaning:NTF \chemformula_chief_subscript:n
+          { \bool_set_true:N \l_chemformula_sup_bool }
+          { \bool_set_false:N \l_chemformula_sup_bool }
+      }
+  }
+
+\cs_new:Npn \chemformula_sub_or_supscript_skip:
+  {
+    \dim_compare:nTF
+      {
+        \dim_abs:n { \l_chemformula_subscript_dim }
+          <=
+        \dim_abs:n { \l_chemformula_supscript_dim }
+      }
+      { \skip_horizontal:N \l_chemformula_subscript_dim }
+      { \skip_horizontal:N \l_chemformula_supscript_dim }
+    \bool_set_false:N \l_chemformula_sup_bool
+    \bool_set_false:N \l_chemformula_sub_bool
+  }
+
+% handle sub- in superscripts and vice versa
+\cs_new:Npn \chemformula_chief_supscript:n #1
+  {
+    \tl_if_eq:nnTF { #1 } { \chemformula_supscript:n }
+      { \chemformula_supscript:n }
+      {
+        \tl_if_eq:nnTF { #1 } { \chemformula_subscript:n }
+          { \chemformula_supscript:n }
+          {
+            \tl_set:Nn \l_tmpc_tl { #1 }
+            \tl_if_in:nnT { #1 } { \chemformula_subscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_subscript:n } }
+            \tl_if_in:nnT { #1 } { \chemformula_supscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_supscript:n } }
+            \exp_args:No \chemformula_supscript:n { \l_tmpc_tl }
+          }
+      }
+  }
+
+\cs_new:Npn \chemformula_chief_subscript:n #1
+  {
+    \tl_if_eq:nnTF { #1 }{ \chemformula_supscript:n }
+      { \chemformula_subscript:n }
+      {
+        \tl_if_eq:nnTF { #1 }{ \chemformula_subscript:n }
+          { \chemformula_subscript:n }
+          {
+            \tl_set:Nn \l_tmpc_tl { #1 }
+            \tl_if_in:nnT { #1 } { \chemformula_subscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_subscript:n } }
+            \tl_if_in:nnT { #1 } { \chemformula_supscript:n }
+              { \tl_remove_all:Nn \l_tmpc_tl { \chemformula_supscript:n } }
+            \exp_args:No \chemformula_subscript:n { \l_tmpc_tl }
+          }
+      }
+  }
+
+\cs_new:Npn \chemformula_test_for_subscript:n #1
+  {
+    \peek_meaning:NT \chemformula_subscript:n
+      {
+        \bool_if:NT \l_chemformula_sup_bool
+          { \skip_horizontal:N #1 }
+        \bool_set_false:N \l_chemformula_sup_bool
+      }
+  }
+
+\cs_new:Npn \chemformula_test_for_supscript:n #1
+  {
+    \peek_meaning:NT \chemformula_subscript:n
+      {
+        \bool_if:NT \l_chemformula_sup_bool
+          { \skip_horizontal:N #1 }
+        \bool_set_false:N \l_chemformula_sup_bool
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% read the input
+\cs_new:Npn \chemformula_input:n #1
+  {
+    \tl_set_rescan:Nnn \l_chemformula_tmpa_tl
+      {
+%         \char_set_catcode_letter:N \_
+        \char_set_catcode_letter:N \{
+        \char_set_catcode_letter:N \}
+        \char_set_catcode_letter:N \\
+        \char_set_catcode_other:N \"
+      }
+      { #1 }
+    \chemformula_input_escape_text:o { \l_chemformula_tmpa_tl }
+    \chemformula_input_escape_math:n { #1 }
+    \chemformula_input_stoich:n { #1 }
+    % need to take care of <<=> arrow
+    \tl_if_in:onT { \l_chemformula_tmpa_tl } { <<=> }
+      { \tl_replace_all:Nnn \l_chemformula_tmpa_tl { <<=> } { glgw_l } }
+    \chemformula_clean_chem_macros:o { \l_chemformula_tmpa_tl }
+    \chemformula_input_cmpd:oN { \l_chemformula_tmpa_tl } \l_chemformula_input_tl
+    \chemformula_input_arrow:o { \l_chemformula_tmpa_tl }
+    \chemformula_input_name:n { #1 }
+    \chemformula_input_plus:n { #1 }
+    \chemformula_input_up:n { #1 }
+    \chemformula_input_down:n { #1 }
+  }
+
+%-----------------------------------------------------------------------------%
+% input stoichiometric factors
+\cs_new:Npn \chemformula_input_stoich:n #1
+  {
+    \bool_set_true:N \l_chemformula_stoich_bool
+    \tl_put_right:Nn \l_chemformula_stoich_tl { \chemformula_font_inner: }
+    \tl_map_inline:nn { #1 }
+      {
+        \prop_get:NnNTF  \l_chemformula_stoich_prop { ##1 } \l_tmpa_tl
+          {
+            \bool_if:NT \l_chemformula_stoich_bool
+              { \tl_put_right:Nx \l_chemformula_stoich_tl { \l_tmpa_tl } }
+          }
+          { \bool_set_false:N \l_chemformula_stoich_bool }
+      }
+    \bool_if:NTF \l_chemformula_stoich_bool
+      {
+        \tl_if_blank:VF \l_chemformula_stoich_tl
+          {
+            \tl_set_rescan:Nno \l_chemformula_stoich_tl
+              { \ExplSyntaxOn }
+              { \l_chemformula_stoich_tl }
+            \exp_args:No \chemformula_parse_stoich:n { \l_chemformula_stoich_tl }
+          }
+      }
+      { \tl_clear:N \l_chemformula_stoich_tl }
+  }
+
+\cs_new:Nn \chemformula_bm:n { #1 }
+
+\cs_new:Npn \chemformula_parse_stoich:n #1
+  {
+    \tl_if_in:nnTF { #1 } { _ }
+      { \chemformula_parse_stoich_misc_frac:w #1 \q_nil }
+      {
+        \tl_if_in:nnTF { #1 } { / }
+          { \chemformula_parse_stoich_frac:w #1 \q_nil }
+          { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
+      }
+  }
+
+\DeclareInstance { xfrac } { chemformula-text-frac } { text }
+  {
+    slash-left-kern     = -.15em ,
+    slash-right-kern    = -.15em
+  }
+
+\cs_new:Npn \chemformula_parse_stoich_frac:w #1/#2 \q_nil
+  { \tl_put_right:Nn \l_chemformula_input_tl { \chemformula_frac:nn { #1 } { #2 } } }
+
+\cs_new:Npn \chemformula_parse_stoich_misc_frac:w #1_#2/#3 \q_nil
+  {
+    \tl_put_right:Nn \l_chemformula_input_tl
+      { \chemformula_misc_frac:nnn { #1 } { #2 } { #3 } }
+  }
+
+\cs_new:Npn \chemformula_frac:nn #1#2
+  {
+    \bool_if:NT \l_chemformula_xfrac_bool
+      { \sfrac[chemformula-text-frac]{#1}{#2} }
+    \bool_if:NT \l_chemformula_nicefrac_bool
+      { \nicefrac{#1}{#2} }
+    \bool_if:NT \l_chemformula_mathfrac_bool
+      { $ \frac{ \text { #1 } } { \text { #2 } } $ }
+  }
+
+\cs_new:Npn \chemformula_misc_frac:nnn #1#2#3
+  {
+    \bool_if:NT \l_chemformula_xfrac_bool
+      { #1\sfrac[chemformula-text-frac]{#2}{#3} }
+    \bool_if:NT \l_chemformula_nicefrac_bool
+      { #1\nicefrac{#2}{#3} }
+    \bool_if:NT \l_chemformula_mathfrac_bool
+      { #1 $ \frac{ \text { #2 } } { \text { #3 } } $ }
+  }
+
+%-----------------------------------------------------------------------------%
+% input compounds
+\cs_new:Nn \chemformula_input_cmpd:nN
+  {
+    \tl_if_blank:VTF \l_chemformula_stoich_tl
+      {
+        \tl_if_eq:nnT { #1 } { + }
+          { \bool_set_true:N \l_chemformula_is_plus_bool }
+        \tl_if_eq:nnT { #1 } { v }
+          { \bool_set_true:N \l_chemformula_is_down_bool }
+        \tl_if_eq:nnT { #1 } { ^ }
+          { \bool_set_true:N \l_chemformula_is_up_bool }
+        \chemformula_detect_arrows:n { #1 }
+        \chemformula_detect_name:n { #1 }
+        \bool_if:nT
+          {
+            !\l_chemformula_is_plus_bool &&
+            !\l_chemformula_is_down_bool &&
+            !\l_chemformula_is_up_bool &&
+            !\l_chemformula_is_arrow_bool &&
+            !\l_chemformula_is_name_bool &&
+            !\l_chemformula_first_last_text_bool &&
+            !\l_chemformula_first_last_math_bool
+          }
+          {
+            \tl_put_right:Nn #2
+              { \chemformula_font_inner: }
+            \chemformula_handle_sub_and_supscripts:nN { #1 } #2
+          }
+      }
+      {
+        \tl_put_right:Nn #2 { \skip_horizontal:N \l_chemformula_stoich_space_dim }
+        \tl_clear:N \l_chemformula_stoich_tl
+      }
+  }
+\cs_generate_variant:Nn \chemformula_input_cmpd:nN { oN }
+
+\cs_new:Nn \chemformula_font_inner:
+  {
+    \bool_if:NT \l_chemformula_fss_bool
+      {
+        \bool_if:NT \l_chemformula_fss_family_bool
+          { \fontfamily { \l_chemformula_font_family_tl } }
+        \bool_if:NT \l_chemformula_fss_series_bool
+          { \fontseries { \l_chemformula_font_series_tl } }
+        \bool_if:NT \l_chemformula_fss_shape_bool
+          { \fontshape { \l_chemformula_font_shape_tl } }
+        \selectfont
+      }
+    \bool_if:NT \l_chemformula_fontspec_bool
+      { \chemformula_font: }
+    \tl_use:N \l_chemformula_format_tl
+    \exp_args:No \tl_if_eq:nnTF { \f@series } { bx }
+      { \cs_set_eq:NN \chemformula_bm:n \bm }
+      { \cs_set:Nn \chemformula_bm:n { ##1 } }
+  }
+
+\cs_new:Nn \chemformula_font: {}
+\cs_new:Nn \chemformula_fontspec:n
+  {
+    \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
+  { \newfontfamily \chemformula_font: [ #1 ] { #2 } }
+
+\cs_new:Nn \chemformula_handle_sub_and_supscripts:nN
+  {
+    \tl_set_rescan:Nnn \l_tmpa_tl
+      {
+        \char_set_catcode_letter:N \_
+        \char_set_catcode_letter:N \{
+        \char_set_catcode_letter:N \}
+        \char_set_catcode_letter:N \\
+      }
+      { #1 }
+    \tl_if_in:VnT \l_tmpa_tl { ^ }
+      { \tl_replace_all:Nnn \l_tmpa_tl { ^ } { \chemformula_chief_supscript:n } }
+    \tl_if_in:VnT \l_tmpa_tl { _ }
+      { \tl_replace_all:Nnn \l_tmpa_tl { _ } { \chemformula_chief_subscript:n } }
+    \int_zero:N \l_chemformula_count_tokens_int
+    \tl_map_inline:Nn \l_tmpa_tl
+      {
+        \int_incr:N \l_chemformula_count_tokens_int
+        \int_compare:nTF { \l_chemformula_count_tokens_int = \tl_length:N \l_tmpa_tl }
+          {
+            \tl_if_eq:nnTF { ##1 } { + }
+              {
+                \tl_put_right:Nn #2
+                  { \chemformula_supscript:n { \chemformula_plus: } }
+              }
+              {
+                \tl_if_eq:nnTF { ##1 } { - }
+                  {
+                    \tl_put_right:Nn #2
+                      { \chemformula_supscript:n { \chemformula_minus: } }
+                  }
+                  {
+                    \prop_get:NnNTF \l_chemformula_cmpd_prop { ##1 } \l_tmpb_tl
+                      { \tl_put_right:No #2 { \l_tmpb_tl } }
+                      { \tl_put_right:Nn #2 { ##1 } }
+                  }
+              }
+          }
+          {
+            \prop_get:NnNTF \l_chemformula_cmpd_prop { ##1 } \l_tmpb_tl
+              { \tl_put_right:No #2 { \l_tmpb_tl } }
+              { \tl_put_right:Nn #2 { ##1 } }
+          }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% clean up chemmacros commands:
+\cs_new:Nn \chemformula_clean_chem_macros:n
+  {
+    \cs_set:Nn \chemmacros_text:n
+      {
+        \mode_if_math:TF
+          { \text { \chemformula_font_inner: ##1 } }
+          { \chemformula_font_inner: ##1 }
+      }
+    \cs_set:Npn \chemmacros_xspace: {}
+    \tl_set:Nn \l_tmpa_tl { #1 }
+    \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_aq_tl } { _{(aq)} }
+    \bool_if:NTF \l_chemmacros_german_bool
+      { \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_sld_tl } { _{(f)} } }
+      { \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_sld_tl } { _{(s)} } }
+    \bool_if:NTF \l_chemmacros_german_bool
+      { \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_lqd_tl } { _{(f\/l)} } }
+      { \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_lqd_tl } { _{(l)} } }
+    \exp_args:NNo \tl_replace_all:Nnn \l_tmpa_tl { \l_chemformula_gas_tl } { _{(g)} }
+    \tl_set_eq:NN \l_chemformula_tmpa_tl \l_tmpa_tl
+  }
+\cs_generate_variant:Nn \chemformula_clean_chem_macros:n { o }
+
+\tl_new:N \l_chemformula_aq_tl
+\tl_set_rescan:Nnn \l_chemformula_aq_tl { \char_set_catcode_letter:N \\ } { \aq }
+\tl_set_rescan:Nnn \l_chemformula_sld_tl { \char_set_catcode_letter:N \\ } { \sld }
+\tl_set_rescan:Nnn \l_chemformula_lqd_tl { \char_set_catcode_letter:N \\ } { \lqd }
+\tl_set_rescan:Nnn \l_chemformula_gas_tl { \char_set_catcode_letter:N \\ } { \gas }
+
+%-----------------------------------------------------------------------------%
+% input "and" sign
+\cs_new:Nn \chemformula_input_plus:n
+  {
+    \tl_if_eq:nnT { #1 } { + }
+      {
+        \tl_put_right:Nn \l_chemformula_input_tl
+          {
+            \skip_horizontal:N \l_chemformula_plus_space_dim
+            +
+            \skip_horizontal:N \l_chemformula_plus_space_dim
+          }
+      }
+    \bool_set_false:N \l_chemformula_is_plus_bool
+  }
+
+%-----------------------------------------------------------------------------%
+% input escaping gas
+\cs_new:Nn \chemformula_input_up:n
+  {
+    \tl_if_eq:nnT { #1 } { ^ }
+      { \tl_put_right:Nn \l_chemformula_input_tl { $\uparrow$ } }
+    \bool_set_false:N \l_chemformula_is_up_bool
+  }
+
+%-----------------------------------------------------------------------------%
+% input precipitate
+\cs_new:Nn \chemformula_input_down:n
+  {
+    \tl_if_eq:nnT { #1 } { v }
+      { \tl_put_right:Nn \l_chemformula_input_tl { $\downarrow$ } }
+    \bool_set_false:N \l_chemformula_is_down_bool
+  }
+
+%-----------------------------------------------------------------------------%
+% input arrow
+\cs_new:Nn \chemformula_input_arrow:n
+  {
+    \bool_if:nT
+      {
+        \l_chemformula_is_arrow_bool &&
+        !\l_chemformula_first_last_text_bool &&
+        !\l_chemformula_first_last_math_bool
+      }
+      { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
+    \bool_set_false:N \l_chemformula_is_arrow_bool
+  }
+\cs_generate_variant:Nn \chemformula_input_arrow:n { o }
+
+%-----------------------------------------------------------------------------%
+% input compound name
+\cs_new:Nn \chemformula_input_name:n
+  {
+    \bool_if:nT
+      {
+        \l_chemformula_is_name_bool &&
+        !\l_chemformula_first_last_text_bool &&
+        !\l_chemformula_first_last_math_bool
+      }
+      { \tl_put_right:Nn \l_chemformula_input_tl { #1 } }
+    \bool_set_false:N \l_chemformula_is_name_bool
+  }
+
+%-----------------------------------------------------------------------------%
+% input escaped text
+\cs_new:Nn \chemformula_input_escape_text:n
+  {
+    \chemformula_first_last_text:n { #1 }
+    \bool_if:NT \l_chemformula_first_last_double_bool
+      {
+        \bool_set_true:N \l_chemformula_first_last_text_bool
+        \chemformula_read_escape_double:w #1 \q_nil
+      }
+    \bool_if:NT \l_chemformula_first_last_single_bool
+      {
+        \bool_set_true:N \l_chemformula_first_last_text_bool
+        \chemformula_read_escape_single:w #1 \q_nil
+      }
+  }
+\cs_generate_variant:Nn \chemformula_input_escape_text:n { o }
+
+\cs_new:Npn \chemformula_read_escape_double:w "#1" \q_nil
+  {
+    \tl_set_rescan:Nnn \l_tmpa_tl
+      { \ExplSyntaxOn \char_set_catcode_other:N \: }
+      { #1 }
+    \tl_replace_all:Nnn \l_tmpa_tl { \_ } { chemformulaplaceholder }
+    \tl_replace_all:Nnn \l_tmpa_tl { _ } { \sb }
+    \tl_replace_all:Nnn \l_tmpa_tl { chemformulaplaceholder } { \_ }
+    \tl_set_rescan:Nno \l_tmpa_tl { \ExplSyntaxOff } { \l_tmpa_tl }
+    \tl_put_right:NV \l_chemformula_input_tl \l_tmpa_tl
+  }
+
+\cs_new:Npn \chemformula_read_escape_single:w '#1' \q_nil
+  {
+    \tl_set_rescan:Nnn \l_tmpa_tl
+      { \ExplSyntaxOn \char_set_catcode_other:N \: }
+      { { #1 } }
+    \tl_replace_all:Nnn \l_tmpa_tl { \_ } { chemformulaplaceholder }
+    \tl_replace_all:Nnn \l_tmpa_tl { _ } { \sb }
+    \tl_replace_all:Nnn \l_tmpa_tl { chemformulaplaceholder } { \_ }
+    \tl_set_rescan:Nno \l_tmpa_tl { \ExplSyntaxOff } { \l_tmpa_tl }
+    \tl_put_right:NV \l_chemformula_input_tl \l_tmpa_tl
+  }
+
+\cs_new:Nn \chemformula_first_last_text:n
+  {
+    \bool_set_false:N \l_chemformula_first_last_double_bool
+    \bool_set_false:N \l_chemformula_first_last_single_bool
+    \bool_set_false:N \l_chemformula_first_last_text_bool
+    \int_zero:N \l_tmpa_int
+    \int_zero:N \l_tmpb_int
+    \tl_map_inline:nn { #1 } { \int_incr:N \l_tmpa_int }
+    \tl_map_inline:nn { #1 }
+      {
+        \int_incr:N \l_tmpb_int
+        \int_compare:nT { \l_tmpb_int = 1 }
+          {
+            \tl_if_eq:nnT { ##1 } { " }
+              { \bool_set_true:N \l_chemformula_first_last_double_bool }
+          }
+        \int_compare:nT { \l_tmpb_int = \l_tmpa_int }
+          {
+            \tl_if_eq:nnF { ##1 } { " }
+              { \bool_set_false:N \l_chemformula_first_last_double_bool }
+          }
+      }
+    \bool_if:NF \l_chemformula_first_last_double_bool
+      {
+        \int_zero:N \l_tmpb_int
+        \tl_map_inline:nn { #1 }
+          {
+            \int_incr:N \l_tmpb_int
+            \int_compare:nT { \l_tmpb_int = 1 }
+              {
+                \tl_if_eq:nnT { ##1 } { ' }
+                  { \bool_set_true:N \l_chemformula_first_last_single_bool }
+              }
+            \int_compare:nT { \l_tmpb_int = \l_tmpa_int }
+              {
+                \tl_if_eq:nnF { ##1 } { ' }
+                  { \bool_set_false:N \l_chemformula_first_last_single_bool }
+              }
+          }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% input escaped math
+\cs_new:Nn \chemformula_input_escape_math:n
+  {
+    \chemformula_first_last_math:n { #1 }
+    \bool_if:NT \l_chemformula_first_last_math_bool
+      { \chemformula_read_escape_math:w #1 \q_nil }
+  }
+
+\cs_new:Npn \chemformula_read_escape_math:w $#1$ \q_nil
+  {
+    \tl_set_rescan:Nnn \l_tmpa_tl
+      {
+        \ExplSyntaxOn \char_set_catcode_letter:N \{
+        \char_set_catcode_letter:N \}
+      }
+      { \mbox { \( #1 \) } }
+    \tl_replace_all:Nnn \l_tmpa_tl { \_ } { chemformulaplaceholder }
+    \tl_replace_all:Nnn \l_tmpa_tl { _ } { \sb }
+    \tl_replace_all:Nnn \l_tmpa_tl { chemformulaplaceholder } { \_ }
+    \tl_set_rescan:Nno \l_tmpa_tl { \ExplSyntaxOff } { \l_tmpa_tl }
+    \tl_put_right:NV \l_chemformula_input_tl \l_tmpa_tl
+    \tl_put_right:Nn \l_chemformula_input_tl
+      { \skip_horizontal:N \l_chemformula_math_space_dim }
+  }
+
+\cs_new:Nn \chemformula_first_last_math:n
+  {
+    \bool_set_false:N \l_chemformula_first_last_math_bool
+    \int_zero:N \l_tmpa_int
+    \int_zero:N \l_tmpb_int
+    \tl_map_inline:nn { #1 } { \int_incr:N \l_tmpa_int }
+    \tl_map_inline:nn { #1 }
+      {
+        \int_incr:N \l_tmpb_int
+        \int_compare:nT { \l_tmpb_int = 1 }
+          {
+            \tl_if_eq:nnT { ##1 } { $ }
+              { \bool_set_true:N \l_chemformula_first_last_math_bool }
+          }
+        \int_compare:nT { \l_tmpb_int = \l_tmpa_int }
+          {
+            \tl_if_eq:nnF { ##1 } { $ }
+              { \bool_set_false:N \l_chemformula_first_last_math_bool }
+          }
+      }
+  }
+
+%-----------------------------------------------------------------------------%
+% customization of output other than arrows
+\keys_define:nn { chemmacros / chemformula }
+  {
+    charge-hshift         .dim_set:N = \l_chemformula_charge_shift_dim ,
+    charge-hshift         .default:n = .3ex ,
+    charge-style          .choice: ,
+    charge-style / text   .code:n   =
+      \bool_set_false:N \l_chemformula_charge_style_math_bool ,
+    charge-style / math   .code:n   =
+      \bool_set_true:N \l_chemformula_charge_style_math_bool ,
+    subscript-vshift      .code:n    =
+      {
+        \dim_set:Nn \l_chemformula_subscript_shift_additional_dim { #1 }
+        \dim_set:Nn \l_chemformula_subscript_shift_dim
+          { \l_chemformula_subscript_shift_default_dim + \l_chemformula_subscript_shift_additional_dim }
+      } ,
+    subscript-vshift      .default:n = 0pt ,
+    subscript-style       .choice: ,
+    subscript-style / text .code:n   =
+      \bool_set_false:N \l_chemformula_number_style_math_bool ,
+    subscript-style / math .code:n   =
+      \bool_set_true:N \l_chemformula_number_style_math_bool ,
+    decimal-marker        .tl_set:N  = \l_chemformula_decimal_output_tl ,
+    frac-style            .choice: ,
+    frac-style / math     .code:n    =
+      \bool_set_false:N \l_chemformula_xfrac_bool
+      \bool_set_false:N \l_chemformula_nicefrac_bool
+      \bool_set_true:N \l_chemformula_mathfrac_bool ,
+    frac-style / xfrac    .code:n    =
+      \bool_set_true:N \l_chemformula_xfrac_bool
+      \bool_set_false:N \l_chemformula_nicefrac_bool
+      \bool_set_false:N \l_chemformula_mathfrac_bool ,
+    frac-style / nicefrac .code:n    =
+      \bool_set_false:N \l_chemformula_xfrac_bool
+      \bool_set_true:N \l_chemformula_nicefrac_bool
+      \bool_set_false:N \l_chemformula_mathfrac_bool ,
+    stoich-space          .dim_set:N = \l_chemformula_stoich_space_dim ,
+    adduct-space          .dim_set:N = \l_chemformula_cdot_space_dim ,
+    plus-space            .dim_set:N = \l_chemformula_plus_space_dim ,
+    math-space            .dim_set:N = \l_chemformula_math_space_dim ,
+    name-format           .tl_set:N  = \l_chemformula_name_format_tl ,
+    name-width            .code:n    =
+      {
+        \tl_if_eq:nnTF { #1 } { auto }
+          { \bool_set_false:N \l_chemformula_name_width_bool }
+          {
+            \bool_set_true:N \l_chemformula_name_width_bool
+            \dim_set:Nn \l_chemformula_name_dim { #1 }
+          }
+      } ,
+    bond-length           .dim_set:N = \l_chemformula_bond_dim ,
+    font-family           .code:n    =
+      \bool_set_true:N \l_chemformula_fss_bool
+      \bool_set_false:N \l_chemformula_fontspec_bool
+      \bool_set_true:N \l_chemformula_fss_family_bool
+      \tl_set:Nn \l_chemformula_font_family_tl { #1 } ,
+    font-series           .code:n    =
+      \bool_set_true:N \l_chemformula_fss_bool
+      \bool_set_false:N \l_chemformula_fontspec_bool
+      \bool_set_true:N \l_chemformula_fss_series_bool
+      \tl_set:Nn \l_chemformula_font_series_tl { #1 } ,
+    font-shape            .code:n    =
+      \bool_set_true:N \l_chemformula_fss_bool
+      \bool_set_false:N \l_chemformula_fontspec_bool
+      \bool_set_true:N \l_chemformula_fss_shape_bool
+      \tl_set:Nn \l_chemformula_font_shape_tl { #1 } ,
+    font-spec             .code:n    =
+      \bool_set_false:N \l_chemformula_fss_bool
+      \bool_set_true:N \l_chemformula_fontspec_bool
+      \chemformula_fontspec:n { #1 } ,
+    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 }
+  }
+
+%-----------------------------------------------------------------------------%
+% hyperref support
+\AfterPackage* { hyperref }
+  { \pdfstringdefDisableCommands { \cs_set:Npn \cn #1 { #1 } } }
+
+\tex_endinput:D
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+VERSION HISTORY
+2012/01/28 - version 3.0  - first published to CTAN with the chemmacros bundle
+2012/01/30 - version 3.0a - bugfix: subscripts in escaped inputs failed,
+                            renamed formula => chemformula
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% TODO
+- Addukte: Zahlen nach * und . automatisch erkennen?
+- allow fractions in subscripts: _{$\frac{1}{2}$} ?
+- optionale argumente von \\ nach außen weiterreichen?
+- vertikaler shift für superskripte?
+- the explicit definition of each arrow on its own is inefficient.
+  also these definitions abuse the `xparse' command \NewDocumentCommand
+  for internal commands => needs to be taken care of
\ No newline at end of file
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros-version1.cfg b/Master/texmf-dist/tex/latex/chemmacros/chemmacros-version1.cfg
index a7dd522d55f..ae8adb9f968 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros-version1.cfg
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros-version1.cfg
@@ -1,10 +1,11 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % --------------------------------------------------------------------------- %
-% - chemmacros - chemmacros-version1.cfg                                    - %
+% - the CHEMMACROS bundle                                                   - %
+% - chemmacros-version1.cfg                                                 - %
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2011/11/03                                                              - %
+% - 2012/01/28                                                              - %
 % --------------------------------------------------------------------------- %
 % - http://www.mychemistry.eu/                                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -12,7 +13,7 @@
 % - If you have any ideas, questions, suggestions or bugs to report, please - %
 % - feel free to contact me.                                                - %
 % --------------------------------------------------------------------------- %
-% - Copyright 2011 Clemens Niederberger                                     - %
+% - Copyright 2011-2012 Clemens Niederberger                                - %
 % -                                                                         - %
 % - This work may be distributed and/or modified under the                  - %
 % - conditions of the LaTeX Project Public License, either version 1.3      - %
@@ -25,10 +26,6 @@
 % - This work has the LPPL maintenance status `maintained'.                 - %
 % -                                                                         - %
 % - The Current Maintainer of this work is Clemens Niederberger.            - %
-% -                                                                         - %
-% - This work consists of the files chemmacros.sty, chemmacros-version1.cfg,- %
-% - chemmacros_doc_de.tex, chemmacros_doc_de.tex, README and the derived    - %
-% - files chemmacros_doc_de.pdf and chemmacros_doc_en.pdf                   - %
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % old definitions of some commands, deprecated commands
 \RequirePackage { ifthen }
diff --git a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
index 0aeffae3755..3adb8505858 100644
--- a/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
+++ b/Master/texmf-dist/tex/latex/chemmacros/chemmacros.sty
@@ -1,10 +1,11 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 % --------------------------------------------------------------------------- %
-% - chemmacros - chemmacros.sty                                             - %
+% - the CHEMMACROS bundle                                                   - %
+% - chemmacros.sty                                                          - %
 % - macros and commands for chemists                                        - %
 % --------------------------------------------------------------------------- %
 % - Clemens Niederberger                                                    - %
-% - 2011/11/03                                                              - %
+% - 2012/02/01                                                              - %
 % --------------------------------------------------------------------------- %
 % - http://www.mychemistry.eu/                                              - %
 % - contact@mychemistry.eu                                                  - %
@@ -12,7 +13,7 @@
 % - If you have any ideas, questions, suggestions or bugs to report, please - %
 % - feel free to contact me.                                                - %
 % --------------------------------------------------------------------------- %
-% - Copyright 2011 Clemens Niederberger                                     - %
+% - Copyright 2011-2012 Clemens Niederberger                                - %
 % -                                                                         - %
 % - This work may be distributed and/or modified under the                  - %
 % - conditions of the LaTeX Project Public License, either version 1.3      - %
@@ -25,18 +26,13 @@
 % - This work has the LPPL maintenance status `maintained'.                 - %
 % -                                                                         - %
 % - The Current Maintainer of this work is Clemens Niederberger.            - %
-% -                                                                         - %
-% - This work consists of the files chemmacros.sty, chemmacros-version1.cfg - %
-% - chemmacros_doc_de.tex, chemmacros_doc_de.tex, README and the derived    - %
-% - files chemmacros_doc_de.pdf and chemmacros_doc_en.pdf                   - %
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx , tikz , mathtools , cancel , environ }
+\RequirePackage{ expl3 , xparse , l3keys2e , xfrac , siunitx , tikz , mathtools , environ , scrlfile , etoolbox , bm }
 \usetikzlibrary{calc,arrows}
-\AtBeginDocument
-  {
-    \@ifpackageloaded{mhchem}{} { \RequirePackage[ version=3 ]{ mhchem } }
-  }
-\ProvidesExplPackage {chemmacros} {2011/11/03} {2.0a} {macros and commands for chemists}
+
+\ProvidesExplPackage {chemmacros} {2012/02/01} {3.0a} {macros and commands for chemists}
+
+\@ifpackageloaded { chemformula } {} { \RequirePackage { chemformula } }
 
 \bool_new:N \l_chemmacros_version_one_bool
 \bool_set_false:N \l_chemmacros_version_one_bool
@@ -62,10 +58,15 @@
 \bool_new:N \l_chemmacros_EZ_cool_bool
 \bool_set_false:N \l_chemmacros_EZ_cool_bool
 
+\bool_new:N \l_chemmacros_use_mhchem_bool
+\bool_set_false: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
 
 \AtBeginDocument
   {
@@ -85,65 +86,102 @@
 
 % --------------------------------------------------------------------------- %
 % package options
-%   german    => change pKA => pKS etc
-%   xspace    => add an \xspace after a whole bunch of macros
-%   bpchem    => use \IUPAC inside for \NMR command
-%   circled   => circle charges
-%   EZ        => cool or chemmacros version of \E
-%   version=1 => compatibility for documents set with v1.*
+%   xspace      => add an \xspace after a whole bunch of macros
+%   bpchem      => use \IUPAC inside for \NMR command
+%   circled     => circle charges
+%   detect-bold => behaviour when font series bold
+%   EZ          => cool or chemmacros version of \E
+%   german      => change pKA => pKS etc
+%   ngerman     => an alias :)
+%   ghsystem    => load ghsystem or don't
+%   method      => use `chemformula' or `mhchem'
+%   strict      => errors or warnings
+%   synchronize => let particles et.al. adapt chemformula's font selection
+%   version=1   => compatibility for documents set with v1.*
+
+\bool_new:N \l_chemmacros_strict_bool
+\bool_new:N \l_chemmacros_detect_bold_bool
+\bool_set_false:N \l_chemmacros_detect_bold_bool
+
+\cs_new:Nn \chemmacros_inner_font: {}
 
 \keys_define:nn { chemmacros / option }
   {
-    bpchem          .bool_set:N = \l_chemmacros_bpchem_bool ,
-    bpchem          .default:n  = true ,
-    circletype      .choice: ,
+    bpchem             .bool_set:N = \l_chemmacros_bpchem_bool ,
+    bpchem             .default:n  = true ,
+    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 } ,
-    circletype      .default:n  = chem ,
-    circled         .choice: ,
-    circled / none .code:n     =
+    circletype         .default:n  = chem ,
+    circled            .choice: ,
+    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  = formal ,
-    EZ              .choice: ,
-    EZ / cool       .code:n     =
+    circled            .default:n  = formal ,
+    detect-bold        .bool_set:N = \l_chemmacros_detect_bold_bool ,
+    detect-bold        .default:n  = true ,
+    EZ                 .choice: ,
+    EZ / cool          .code:n     =
       { \bool_set_true:N \l_chemmacros_EZ_cool_bool } ,
-    EZ / chemmacros .code:n     =
+    EZ / chemmacros    .code:n     =
       { \bool_set_false:N \l_chemmacros_EZ_cool_bool } ,
-    EZ              .default:n  = chemmacros ,
-    german          .bool_set:N = \l_chemmacros_german_bool ,
-    german          .default:n  = true ,
-    xspace          .bool_set:N = \l_chemmacros_xspace_bool ,
-    xspace          .default:n  = true ,
-    version         .choice: ,
-    version / 1     .code:n     =
+    EZ                 .default:n  = chemmacros ,
+    german             .bool_set:N = \l_chemmacros_german_bool ,
+    german             .default:n  = true ,
+    ghsystem           .bool_set:N = \l_chemmacros_ghsystem_bool ,
+    ghsystem           .default:n  = true ,
+    ngerman            .bool_set:N = \l_chemmacros_german_bool ,
+    ngerman            .default:n  = true ,
+    method             .choice: ,
+    method / chemformula   .code:n     =
+      \bool_set_false:N \l_chemmacros_use_mhchem_bool ,
+    method / mhchem    .code:n     =
+      \bool_set_true:N \l_chemmacros_use_mhchem_bool ,
+    method             .default:n  = chemformula ,
+    strict             .bool_set:N = \l_chemmacros_strict_bool ,
+    strict             .default:n  = true ,
+    synchronize        .choice: ,
+    synchronize / true .code:n  =
+      \cs_set_eq:NN \chemmacros_inner_font: \chemformula_font_inner: ,
+    synchronize / false .code:n = \cs_set:Nn \chemmacros_inner_font: {} ,
+    synchronize        .default:n  = true ,
+    xspace             .bool_set:N = \l_chemmacros_xspace_bool ,
+    xspace             .default:n  = true ,
+    version            .choice: ,
+    version / 1        .code:n     =
       { \bool_set_true:N \l_chemmacros_version_one_bool } ,
-    version / 2     .code:n     =
+    version / 2        .code:n     =
+      { \bool_set_false:N \l_chemmacros_version_one_bool } ,
+    version / bundle   .code:n     =
       { \bool_set_false:N \l_chemmacros_version_one_bool }
   }
 
 \ProcessKeysOptions { chemmacros / option }
 
-\AtBeginDocument
+\AtEndPreamble
   {
+    \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 } }
   }
 
 \cs_new_nopar:Npn \chemmacros_xspace:
@@ -154,6 +192,13 @@
 
 % --------------------------------------------------------------------------- %
 % warning / error messages
+\cs_new:Npn \chemmacros_msg:nnxx #1#2#3#4
+  {
+    \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 } { already-defined }
   {
     The~command~#1~has~also~been~defined~by~another~package.
@@ -228,18 +273,6 @@
 
 % --------------------------------------------------------------------------- %
 % circled charge signs
-% Definition inspired by chemstyle's definition of \standarsstate
-% \cs_new_nopar:Npn \chemmacros_fplus_aux:
-%   {
-%     \raise.1ex\hbox{\scalebox{.65}{\textcircled{\lower.1ex\hbox{$+$}}}}
-%   }
-% \cs_new_nopar:Npn \chemmacros_fplus:
-%   {
-%     \mode_if_math:TF
-%       { \text { \chemmacros_fplus_aux: } }
-%       { \chemmacros_fplus_aux: }
-%   }
-
 \cs_new_nopar:Npn \chemmacros_fplus:
   { \ensuremath { \chemmacros_fplus_aux_i: } }
 \cs_new_nopar:Npn \chemmacros_fplus_aux_i:
@@ -259,17 +292,6 @@
       }
   }
 
-% \cs_new_nopar:Npn \chemmacros_fminus_aux:
-%   {
-%     \raise.1ex\hbox{\scalebox{.65}{\textcircled{\lower.1ex\hbox{$-$}}}}
-%   }
-% \cs_new_nopar:Npn \chemmacros_fminus:
-%   {
-%     \mode_if_math:TF
-%       { \text { \chemmacros_fminus_aux: } }
-%       { \chemmacros_fminus_aux: }
-%   }
-
 \cs_new_nopar:Npn \chemmacros_fminus:
   { \ensuremath { \chemmacros_fminus_aux_i: } }
 \cs_new_nopar:Npn \chemmacros_fminus_aux_i:
@@ -296,7 +318,8 @@
 % change output depending on circled-option
 \cs_new_nopar:Npn \chemmacros_plus:
   {
-    \bool_if:nTF { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
+    \bool_if:nTF
+      { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
       {
         \bool_if:NTF \l_chemmacros_circled_chem_bool
           { \chemmacros_fplus: }
@@ -307,7 +330,8 @@
 
 \cs_new_nopar:Npn \chemmacros_minus:
   {
-    \bool_if:nTF { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
+    \bool_if:nTF
+      { \l_chemmacros_circled_bool && !\l_chemmacros_circled_formal_bool }
       {
         \bool_if:NTF \l_chemmacros_circled_chem_bool
           { \chemmacros_fminus: }
@@ -367,24 +391,75 @@
       }
   }
 
-\cs_new_nopar:Npn \chemmacros_atom:n #1
-  { \ce { #1 } }
+\cs_new: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 }
 
+\cs_new:Nn \chemmacros_text:n
+  { \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:Nn \chemmacros_chemformula:n
+  {
+    \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:
+      }
+  }
+
 % --------------------------------------------------------------------------- %
 % particles, charges
 % electron
 \bool_new:N \l_chemmacros_charge_append_bool
 \bool_set_false:N \l_chemmacros_charge_append_bool
 
-\cs_new_nopar:Npn \el
-  { \chemmacros_atom:n { e } \mch \chemmacros_xspace: }
-% proton
-\cs_new_nopar:Npn \prt
-  { \chemmacros_atom:n { p } \pch \chemmacros_xspace: }
-% neutron
-\cs_new_nopar:Npn \ntr
-  { \chemmacros_atom:n { n^0 } \chemmacros_xspace: }
+\bool_if:NTF \l_chemmacros_use_mhchem_bool
+  {
+    \cs_new_nopar:Npn \el { \chemmacros_atom:n { e } \mch \chemmacros_xspace: }
+    \cs_new_nopar:Npn \prt { \chemmacros_atom:n { p } \pch \chemmacros_xspace: }
+  }
+  {
+    \cs_new_nopar:Npn \el { \chemmacros_chemformula:n { e- } \chemmacros_xspace: }
+    \cs_new_nopar:Npn \prt { \chemmacros_chemformula:n { p+ } \chemmacros_xspace: }
+  }
+\cs_new_nopar:Npn \ntr { \chemmacros_chemformula:n { n^0 } \chemmacros_xspace: }
+
+\cs_new_nopar:Npn \chemmacros_bm:n #1
+  {
+    \bool_if:NTF \l_chemmacros_detect_bold_bool
+      { \bm { #1 } }
+      { #1 }
+  }
+
+\cs_new_nopar:Npn \chemmacros_bf:n #1
+  {
+    \bool_if:NTF \l_chemmacros_detect_bold_bool
+      { { \normalfont \bfseries #1 } }
+      { { \normalfont #1 } }
+  }
+
+\cs_new_nopar:Npn \chemmacros_detect_bold:n #1
+  {
+    \chemmacros_if_bold:TF
+      {
+        \mode_if_math:TF
+          { \chemmacros_bm:n { #1 } }
+          { \chemmacros_bf:n { #1 } }
+      }
+      { #1 }
+  }
 
 % charges
 \cs_new_nopar:Npn \chemmacros_charge:n #1
@@ -392,13 +467,13 @@
     \bool_if:NTF \l_chemmacros_charge_append_bool
       {
         \mode_if_math:TF
-          { {}^ { #1 } }
-          { $ {}^ { #1 } $ }
+          { {}^ { \chemmacros_detect_bold:n { #1 } } }
+          { $ {}^ { \chemmacros_detect_bold:n { #1 } } $ }
       }
       {
         \mode_if_math:TF
-          { ^ { #1 } }
-          { $ ^ { #1 } $ }
+          { ^ { \chemmacros_detect_bold:n { #1 } } }
+          { $ ^ { \chemmacros_detect_bold:n { #1 } } $ }
       }
   }
 
@@ -460,34 +535,47 @@
 % --------------------------------------------------------------------------- %
 % ions, molecules
 % proton, hydroxide, hydronium/oxonium, water, nucleophile, electrophile
-\cs_new_nopar:Npn \Hpl
-  { \chemmacros_atom:n { H } \pch \chemmacros_xspace: }
-\cs_new_nopar:Npn \Hyd
-  { \chemmacros_atom:n { OH } \mch \chemmacros_xspace: }
-\cs_new_nopar:Npn \HtO
-  { \chemmacros_atom:n { H3O } \pch \chemmacros_xspace: }
+\bool_if:NTF \l_chemmacros_use_mhchem_bool
+  {
+    \cs_new_nopar:Npn \Hpl { \chemmacros_atom:n { H } \pch \chemmacros_xspace: }
+    \cs_new_nopar:Npn \Hyd { \chemmacros_atom:n { OH } \mch \chemmacros_xspace: }
+    \cs_new_nopar:Npn \HtO { \chemmacros_chemformula:n { H3O } \pch \chemmacros_xspace: }
+    \cs_new_nopar:Npn \El  { \chemmacros_atom:n { E } \pch \chemmacros_xspace: }
+  }
+  {
+    \cs_new_nopar:Npn \Hpl { \chemmacros_chemformula:n { H+ } \chemmacros_xspace: }
+    \cs_new_nopar:Npn \Hyd { \chemmacros_chemformula:n { OH- } \chemmacros_xspace: }
+    \cs_new_nopar:Npn \HtO { \chemmacros_chemformula:n { H3O+ } \chemmacros_xspace: }
+    \cs_new_nopar:Npn \El  { \chemmacros_chemformula:n { E+ } \chemmacros_xspace: }
+  }
 \cs_new_nopar:Npn \water
-  { \chemmacros_atom:n { H2O } \chemmacros_xspace: }
+  { \chemmacros_chemformula:n { H2O } \chemmacros_xspace: }
 
+% TODO: \Nu konflikt mit `mathspec'
 \NewDocumentCommand \Nu { o }
   {
     \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } }
     \bool_if:NTF \l_chemmacros_particle_elpair_bool
-      { \chemmacros_elpair:n { Nu } }
-      { \chemmacros_atom:n { Nu } }
-    \mch \chemmacros_xspace:
+      { \chemmacros_elpair:n { Nu } \mch }
+      {
+        \bool_if:NTF \l_chemmacros_use_mhchem_bool
+          { \chemmacros_atom:n { Nu } \mch }
+          { \chemmacros_chemformula:n { Nu- } }
+      }
+    \chemmacros_xspace:
   }
 
-\cs_new_nopar:Npn \El
-  { \chemmacros_atom:n { E } \pch \chemmacros_xspace: }
-
 \NewDocumentCommand \ba { o }
   {
     \IfNoValueF { #1 } { \keys_set:nn { chemmacros / particle } { #1 } }
     \bool_if:NTF \l_chemmacros_particle_elpair_bool
-      { \chemmacros_elpair:n { ba } }
-      { \chemmacros_atom:n { ba } }
-    \mch \chemmacros_xspace:
+      { \chemmacros_elpair:n { ba } \mch }
+      {
+        \bool_if:NTF \l_chemmacros_use_mhchem_bool
+          { \chemmacros_atom:n { ba } \mch }
+          { \chemmacros_chemformula:n { ba- } }
+      }
+    \chemmacros_xspace:
   }
 
 \cs_new_nopar:Npn \chemmacros_elpair:n #1
@@ -495,11 +583,11 @@
     \bool_if:NTF \l_chemmacros_chemfig_bool
       {
         \bool_if:NTF \l_chemmacros_elpair_dots_bool
-          { \Lewis { 0: , #1 } }
-          { \Lewis { 0 , #1 } }
+          { { \chemmacros_inner_font: #1 \Lewis { 0: , { \vphantom { #1 } } } } }
+          { { \chemmacros_inner_font: #1 \Lewis { 0 , \vphantom { #1 } } } }
       }
       {
-        \msg_warning:nnx { chemmacros } { chemfig } { #1 }
+        \chemmacros_msg:nnxx { chemmacros } { chemfig } { #1 } {}
         \chemmacros_atom:n { #1 }
       }
   }
@@ -526,11 +614,13 @@
   }
 
 % --------------------------------------------------------------------------- %
-% stereo descriptors and sim.
+% stereo descriptors and other nomenclature commands
 % Cahn-Ingold-Prelog
-\cs_new_nopar:Npn \Rcip { \textit { (R) } }
-\cs_new_nopar:Npn \Scip { \textit { (S) } }
-\cs_new_nopar:Npn \cip #1 { \textit { (#1) } }
+\cs_new_protected_nopar:Npn \Rcip { \textit { (R) } }
+\cs_new_protected_nopar:Npn \Scip { \textit { (S) } }
+\cs_new_protected_nopar:Npn \cip #1 { \textit { (#1) } }
+
+% TikZ needs : to be other
 \ExplSyntaxOff
 \NewDocumentCommand\Sconf { O { S } }%
   {%
@@ -550,48 +640,81 @@
       }%
   }%
 \ExplSyntaxOn
+
 % E(ntgegen)/Z(usammen)
 \AtBeginDocument
   {
     \bool_if:NTF \l_chemmacros_EZ_cool_bool
       {
-        \cs_new_nopar:Npn \Ent { \textit { (E) } }
-        \cs_new_nopar:Npn \Zus { \textit { (Z) } }
+        \cs_new_protected_nopar:Npn \Ent { \textit { (E) } }
+        \cs_new_protected_nopar:Npn \Zus { \textit { (Z) } }
       }
       {
         \cs_if_free:NTF \E
-          { \cs_new_nopar:Npn \E { \textit { (E) } } }
-          { \cs_set_nopar:Npn \E { \textit { (E) } } }
-        \cs_new_nopar:Npn \Z { \textit { (Z) } }
+          { \cs_new_protected_nopar:Npn \E { \textit { (E) } } }
+          { \cs_set_protected_nopar:Npn \E { \textit { (E) } } }
+        \cs_new_protected_nopar:Npn \Z { \textit { (Z) } }
       }
   }
 
+% cis/trans & tert
 \AtBeginDocument
   {
     \cs_if_free:NTF \cis
-      {
-        \cs_new_nopar:Npn \cis   { \textit { cis } \chemmacros_xspace: }
-      }
-      {
-        \cs_set_nopar:Npn \cis   { \textit { cis } \chemmacros_xspace: }
-      }
+      { \cs_new_protected_nopar:Npn \cis   { \textit { cis } } }
+      { \cs_set_protected_nopar:Npn \cis   { \textit { cis } } }
     \cs_if_free:NTF \trans
-      {
-        \cs_new_nopar:Npn \trans { \textit { trans } \chemmacros_xspace: }
-      }
-      {
-        \cs_set_nopar:Npn \trans { \textit { trans } \chemmacros_xspace: }
-      }
+      { \cs_new_protected_nopar:Npn \trans { \textit { trans } } }
+      { \cs_set_protected_nopar:Npn \trans { \textit { trans } } }
   }
+\cs_new_protected_nopar:Npn \tert { \textit { tert } }
 
-\cs_new_nopar:Npn \tert { \textit { tert } \chemmacros_xspace: }
 % Fischer
-\cs_new_nopar:Npn \Dfi { \textsc { d } }
-\cs_new_nopar:Npn \Lfi { \textsc { l } }
+\cs_new_protected_nopar:Npn \Dfi { \textsc { d } }
+\cs_new_protected_nopar:Npn \Lfi { \textsc { l } }
+
 % ortho/meta/para
-\cs_new_nopar:Npn \ortho { \textsl { o } }
-\cs_new_nopar:Npn \meta  { \textsl { m } }
-\cs_new_nopar:Npn \para  { \textsl { p } }
+\cs_new_protected_nopar:Npn \ortho { \textsl { o } }
+\cs_new_protected_nopar:Npn \meta  { \textsl { m } }
+\cs_new_protected_nopar:Npn \para  { \textsl { p } }
+
+% syn/anti
+\cs_new_protected_nopar:Npn \syn  { \textit { syn } }
+\cs_new_protected_nopar:Npn \anti { \textit { anti } }
+
+% \iupac (basically the same as bpchem's \IUPAC)
+% - allows multiple breaking points as compound names can get really long and
+%   especially in multicolumn documents can span more than two lines
+% - add a (very) little space after the hyphen
+\cs_new_protected:Nn \chemmacros_allow_hyphens:
+  { \tex_penalty:D \c_ten_thousand \skip_horizontal:n { \c_zero_dim } }
+\cs_new_protected:Nn \chemmacros_break_point_hyphen:
+  { \tex_penalty:D \c_ten_thousand - \chemmacros_allow_hyphens: }
+\cs_new_protected:Nn \chemmacros_break_point:
+  {
+    \tex_penalty:D \c_ten_thousand
+    \tex_discretionary:D { - } { } { \tex_kern:D .03em }
+    \chemmacros_allow_hyphens:
+  }
+
+\cs_new_protected:Nn \chemmacros_iupac:n
+  {
+    \group_begin:
+      \tex_ignorespaces:D
+      \cs_set_eq:NN \- \chemmacros_break_point_hyphen:
+      \cs_set_eq:NN \| \chemmacros_break_point:
+      \cs_set_eq:NN \^ \chemformula_supscript:n
+      #1
+    \group_end:
+  }
+
+% Thanks to Joseph Wright and Enrico Gregorio for the help on the curious
+% redefinition of \- and the end of the compilation
+\cs_set_protected_nopar:Npx \| { \exp_not:o { \| } }
+\cs_set_protected_nopar:Npx \- { \exp_not:o { \- } }
+\cs_set_eq:NN \@dischyph \-
+
+\cs_set_eq:NN \iupac \chemmacros_iupac:n 
 
 % latin phrases
 \AtBeginDocument
@@ -610,26 +733,98 @@
 % --------------------------------------------------------------------------- %
 % acid/base
 \cs_new_nopar:Npn \pH
-  { \mbox { \textsl { p } H } \chemmacros_xspace: }
+  { \mbox { \chemmacros_detect_bold:n { \textsl { p } H } } \chemmacros_xspace: }
 \cs_new_nopar:Npn \pOH
-  { \mbox { \textsl { p } OH } \chemmacros_xspace: }
+  { \mbox { \chemmacros_detect_bold:n { \textsl { p } OH } } \chemmacros_xspace: }
 \NewDocumentCommand \p { m }
-  { \mbox { \textsl { p } \ensuremath { #1 } } \chemmacros_xspace: }
+  {
+    \mbox
+      {
+        \chemmacros_detect_bold:n { \textsl { p } }
+        \ensuremath
+          { \chemmacros_detect_bold:n { #1 } }
+      }
+    \chemmacros_xspace:
+  }
+
+\cs_new_nopar: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 }
 
 \char_set_catcode_math_subscript:N \@
+\cs_new_nopar:Npn \Ka
+  {
+    \mbox
+      {\(   
+        \chemmacros_if_bold:TF
+          {
+            \chemmacros_bm:n
+              {
+                K @ \mathrm
+                  {
+                    \bool_if:NTF \l_chemmacros_german_bool
+                      { S }
+                      { A }
+                  }
+              }
+          }
+          {
+            K @ \mathrm
+              {
+                \bool_if:NTF \l_chemmacros_german_bool
+                  { S }
+                  { A }
+              }
+          }
+      \)}
+    \chemmacros_xspace:
+  }
+
+\cs_new_nopar:Npn \Kb
+  {
+    \mbox
+      {\(   
+        \chemmacros_if_bold:TF
+          {
+            \chemmacros_bm:n { K @ \mathrm { B } }
+          }
+          {
+            K @ \mathrm { B }
+          }
+      \)}
+    \chemmacros_xspace:
+  }
+
+\cs_new_nopar:Npn \Kw
+  {
+    \mbox
+      {\(   
+        \chemmacros_if_bold:TF
+          {
+            \chemmacros_bm:n { K @ \mathrm { W } }
+          }
+          {
+            K @ \mathrm { W }
+          }
+      \)}
+    \chemmacros_xspace:
+  }
+
 \NewDocumentCommand \pKa { o }
   {
     \mbox
       {
-        \textsl { p }
+        \chemmacros_detect_bold:n { \textsl { p } }
         \(
-        K @ \mathrm
-          {
-            \bool_if:NTF \l_chemmacros_german_bool
-              { S }
-              { A }
-            \IfNoValueF{ #1 } { #1 }
-          }
+          \Ka \IfNoValueF { #1 } { @ #1 }
         \)
       }
     \chemmacros_xspace:
@@ -639,13 +834,9 @@
   {
     \mbox
       {
-        \textsl { p }
+        \chemmacros_detect_bold:n { \textsl { p } }
         \(
-        K @ \mathrm
-          {
-            B
-            \IfNoValueF{ #1 } { #1 }
-          }
+          \Kb \IfNoValueF { #1 } { @ #1 }
         \)
       }
     \chemmacros_xspace:
@@ -804,12 +995,12 @@
 
 \DeclareInstance { xfrac } { chemmacros-ox-frac } { text }
   {
-    scale-factor        = 1.5 ,
+    scale-factor        = 1.2 ,
     denominator-bot-sep = -.5ex ,
     numerator-top-sep   = -.3ex ,
-    slash-left-kern     = -.05em ,
-    slash-right-kern    = -.05em ,
-    slash-symbol-font   = ptm
+    slash-left-kern     = -.2em ,
+    slash-right-kern    = -.2em ,
+    slash-symbol-font   = lmr
   }
 
 \cs_new_nopar:Npn \chemmacros_ox_fraction:n #1/#2
@@ -913,18 +1104,28 @@
       {
         \bool_if:NT \l_chemmacros_ox_super_bool
           {
-            \chemmacros_atom:n
-              { #2 ^ { \text { \tiny \chemmacros_ox_process_number:n { #1 } } } }
+            \chemmacros_text:n
+              {
+                #2
+                $ ^ { \text { \tiny \chemmacros_ox_process_number:n { #1 } } } $
+              }
           }
         \bool_if:NT \l_chemmacros_ox_side_bool
           {
-            \chemmacros_atom:n { #2 ( \text { \chemmacros_ox_process_number:n { #1 } } ) }
+            \chemmacros_text:n
+              { #2 ( \text { \chemmacros_ox_process_number:n { #1 } } ) }
           }
         \bool_if:NT \l_chemmacros_ox_top_bool
           {
             \overset
-              { \mbox { \tiny \chemmacros_ox_process_number:n { #1 } } }
-              { \chemmacros_atom:n { #2 } }
+              {
+                \rlap
+                  {
+                    \chemmacros_text:n
+                      { \tiny \chemmacros_ox_process_number:n { #1 } }
+                  }
+              }
+              { \chemmacros_text:n { #2 } }
           }
       }
   }
@@ -1020,7 +1221,7 @@
       }
     \tikz[baseline=(#1.base),remember~picture]
       {
-        \node [inner~sep=0] (#1) { \chemmacros_atom:n {#2} } ;
+        \node [inner~sep=0] (#1) { #2 } ;
       }
   }
 
@@ -1034,7 +1235,8 @@
   {
     \IfNoValueT { #1 }
       {
-        \msg_error:nnx { chemmacros } { redox } { You~need~to~specify~coordinates }
+        \msg_error:nnx { chemmacros } { redox }
+          { You~need~to~specify~coordinates }
       }
     \tl_clear:N \l_chemmacros_redox_begin_tl
     \tl_clear:N \l_chemmacros_redox_end_tl
@@ -1047,19 +1249,24 @@
         \fp_set:Nn \l_chemmacros_redox_shift_fp  { 1 }
         \tl_set:Nn \l_chemmacros_redox_anchor_tl { above }
         \tl_set:Nn \l_chemmacros_redox_side_tl { north }
-        \dim_set_eq:NN \l_chemmacros_redox_sep_dim \l_chemmacros_redox_sep_default_dim
+        \dim_set_eq:NN
+          \l_chemmacros_redox_sep_dim
+          \l_chemmacros_redox_sep_default_dim
       }
       {
         \fp_compare:nNnTF { #3 } < { 0 }
           {
             \tl_set:Nn \l_chemmacros_redox_anchor_tl { below }
             \tl_set:Nn \l_chemmacros_redox_side_tl { south }
-            \exp_args:NNo \dim_set:Nn \l_chemmacros_redox_sep_dim { - \l_chemmacros_redox_sep_default_dim }
+            \exp_args:NNo \dim_set:Nn \l_chemmacros_redox_sep_dim
+              { - \l_chemmacros_redox_sep_default_dim }
           }
           {
             \tl_set:Nn \l_chemmacros_redox_anchor_tl { above }
             \tl_set:Nn \l_chemmacros_redox_side_tl { north }
-            \dim_set_eq:NN \l_chemmacros_redox_sep_dim \l_chemmacros_redox_sep_default_dim
+            \dim_set_eq:NN
+              \l_chemmacros_redox_sep_dim
+              \l_chemmacros_redox_sep_default_dim
           }
         \fp_set:Nn \l_chemmacros_redox_shift_fp { #3 }
       }
@@ -1071,7 +1278,7 @@
         ($(\l_chemmacros_redox_begin_tl . \l_chemmacros_redox_side_tl)+(0,\l_chemmacros_redox_sep_dim)$)
         -- 
         ++(0,\l_chemmacros_redox_shift_tl * \l_chemmacros_redox_dist_dim) -|
-        node [pos=.25,\l_chemmacros_redox_anchor_tl] { #4 }
+        node [pos=.25,\l_chemmacros_redox_anchor_tl] { { #4 } }
         ($(\l_chemmacros_redox_end_tl . \l_chemmacros_redox_side_tl)+(0,\l_chemmacros_redox_sep_dim)$) ;
       }
   }
@@ -1217,7 +1424,7 @@
               \bool_if:NT \l_chemmacros_nmr_comma_bool
                 { , ~ }
               \bool_if:NT \l_chemmacros_nmr_solvent_bool
-                { \chemmacros_atom:n { #4 } }
+                { \chemmacros_chemformula:n { #4 } }
               \bool_if:NT \l_chemmacros_nmr_delimiters_bool
                 { ) }
               \IfBooleanF { #1 }
@@ -1242,14 +1449,14 @@
 \tl_new:N \l_chemmacros_mhname_align_tl
 \tl_set:Nn \l_chemmacros_mhname_align_tl { \centering }
 
-\tl_new:N \l_chemmacros_mhname_fontattr_tl
+\tl_new:N \l_chemmacros_mhname_format_tl
 \tl_new:N \l_chemmacros_mhname_fontsize_tl
 \tl_set:Nn \l_chemmacros_mhname_fontsize_tl { \tiny }
 
 \keys_define:nn { chemmacros / mhName }
   {
     align     .tl_set:N  = \l_chemmacros_mhname_align_tl ,
-    fontattr  .tl_set:N  = \l_chemmacros_mhname_fontattr_tl ,
+    format  .tl_set:N  = \l_chemmacros_mhname_format_tl ,
     fontsize  .tl_set:N  = \l_chemmacros_mhname_fontsize_tl ,
     width     .code:n    =
       {
@@ -1262,8 +1469,8 @@
       }
   }
 
-% \mhName[<keyval>]{<formula>}{<text>}
-\bool_if:NF \l_chemmacros_version_one_bool
+% \mhName[<keyval>]{<chemformula>}{<text>}
+\bool_if:nF { \l_chemmacros_version_one_bool || \l_chemmacros_use_mhchem_bool }
   {
     \NewDocumentCommand \mhName { o m m }
       {
@@ -1279,12 +1486,12 @@
                     { \dim_use:N \l_chemmacros_mhname_width_dim }
                     {
                       \tl_use:N \l_chemmacros_mhname_align_tl
-                      \tl_use:N \l_chemmacros_mhname_fontattr_tl
+                      \tl_use:N \l_chemmacros_mhname_format_tl
                       \tl_use:N \l_chemmacros_mhname_fontsize_tl
                       #3
                     }
                 }
-                { \chemmacros_atom:n { #2 } }
+                { \ce { #2 } }
             }
         \group_end:
       }
@@ -1296,14 +1503,14 @@
 \cs_new_nopar:Npn \sld
   {
     \peek_meaning:NTF [
-      { \chemmacros_sld_aux_i: }
-      { \chemmacros_sld_aux_ii: }
+      { \chemmacros_sld_aux_i:w }
+      { \chemmacros_sld_aux_ii:w }
   }
 
-\cs_new_nopar:Npn \chemmacros_sld_aux_i: [#1]
+\cs_new_nopar:Npn \chemmacros_sld_aux_i:w [#1]
   { \ensuremath { @ \mathrm { ( #1 ) } } }
 
-\cs_new_nopar:Npn \chemmacros_sld_aux_ii:
+\cs_new_nopar:Npn \chemmacros_sld_aux_ii:w
   {
     \ensuremath { @ \mathrm {
       (
@@ -1349,23 +1556,75 @@
 \char_set_catcode_letter:N \@
 
 % --------------------------------------------------------------------------- %
+% reaction environments for mhchem
+
+% 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
+\AfterPackage* { mathtools }
+  {
+    \cs_set_nopar: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 ##1 #4
+                    \tl_use:c { l_chemmacros_reaction_ \thereaction _tl }
+                  }
+              }
+          }
+      }
+  }
+
+% define \listofreactions
+\tl_new:N \l_chemmacros_reaction_lorname_tl
+\tl_new:N \reactionlistname
+\tl_set:Nn \l_chemmacros_reaction_lorname_tl
+  { \bool_if:NTF \l_chemmacros_german_bool { Reaktion ~ } { Reaction ~ } }
+
+\bool_if:NTF \l_chemmacros_german_bool
+  { \tl_set:Nn \reactionlistname { Reaktionsverzeichnis } }
+  { \tl_set:Nn \reactionlistname { List~of~reactions } }
+
+\cs_new:Npn \listofreactions
+  { \section* { \reactionlistname } \@starttoc { lor } }
+
+\cs_new:Npn \l@reaction #1#2
+  { \@dottedtocline { 1 } { 1.5em } { 2.3em } { #1 } { #2 } }
+
+% create tagform
 \bool_if:NTF \l_chemmacros_version_one_bool
   { \newtagform { CMreaction } { \{ } { \} } }
   { \newtagform { reaction } { \{ } { \} } }
 \newcounter { chemmacros_save_reaction }
 \newcounter { reaction }
+
+% switch to reaction tags
 \cs_new_nopar:Npn \chemmacros_begin_reaction:
   {
-    \bool_if:NT \l_chemmacros_hyperref_bool % create individual names for hyperref 
-      { \cs_set_nopar:Npn \theHequation { R . \theHsection . \arabic { reaction } } }
-    \bool_if:NT \l_chemmacros_varioref_bool % enable labelformat reaction
+    % create individual names for `hyperref':
+    \bool_if:NT \l_chemmacros_hyperref_bool
+      {
+        \cs_set_nopar:Npn \theHequation
+          { R . \theHsection . \arabic { reaction } }
+      }
+    % enable labelformat `reaction':
+    \bool_if:NT \l_chemmacros_varioref_bool
       { \cs_set_eq:NN \p@equation \p@reaction }
     \setcounter { chemmacros_save_reaction } { \value { equation } }
     \setcounter { equation } { \value { reaction } }
     \bool_if:NTF \l_chemmacros_version_one_bool
       { \usetagform { CMreaction } }
       { \usetagform { reaction } }
+    \tl_new:c { l_chemmacros_reaction_ \thereaction _tl }
   }
+
+% switch back to equation tags
 \cs_new_nopar:Npn \chemmacros_end_reaction:
   {
     \setcounter { reaction } { \value { equation } }
@@ -1373,28 +1632,28 @@
   }
 
 % --------------------------------------------------------------------------- %
-% reaction environments for mhchem
 \bool_new:N \l_chemmacros_reactions_star_bool
 \bool_new:N \l_chemmacros_reactions_args_bool
-\int_new:N \l_chemmacros_reactions_args_int
 
 \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
+    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 ~ }
   }
 
+% TODO: define new reactions with optional Argument for lor-entry
 % \newreaction[<keyval>]{<name>}{<type>}
 \bool_if:NF \l_chemmacros_version_one_bool
   {
   \NewDocumentCommand \newreaction { o m m }
     {
       \cs_if_exist:cTF { #2 }
-        {
-          \msg_error:nnx { chemmacros } { already-defined } { #2 }
-        }
+        { \msg_error:nnx { chemmacros } { already-defined } { #2 } }
         {
           \IfNoValueTF { #1 }
             {
@@ -1404,11 +1663,17 @@
             { \keys_set:nn { chemmacros / reaction } { #1 } }
           \bool_if:NTF \l_chemmacros_reactions_args_bool
             {
-              \NewEnviron { #2 } [ 1 ]
+              \NewEnviron { #2 } [ 2 ] []
                 {
                   \chemmacros_begin_reaction:
-                  \begin { #3 } { ##1 }
-                    \chemmacros_cee:f { \BODY }
+                  \tl_if_blank:nF { ##1 }
+                    {
+                      \tl_set:cn
+                        { l_chemmacros_reaction_ \thereaction _tl }
+                        { : ~ ##1 }
+                    }
+                  \begin { #3 } { ##2 }
+                    \chemmacros_equation_chemformula:o { \BODY }
                   \end{ #3 }
                   \chemmacros_end_reaction:
                 }
@@ -1417,17 +1682,23 @@
                   \NewEnviron { #2* } [ 1 ]
                     {
                       \begin { #3* } { ##1 }
-                        \chemmacros_cee:f { \BODY }
+                        \chemmacros_equation_chemformula:o { \BODY }
                       \end { #3* }
                     }
                 }
             }
             {
-              \NewEnviron { #2 }
+              \NewEnviron { #2 } [ 1 ] []
                 {
                   \chemmacros_begin_reaction:
+                  \tl_if_blank:nF { ##1 }
+                    {
+                      \tl_set:cn
+                        { l_chemmacros_reaction_ \thereaction _tl }
+                        { : ~ ##1 }
+                    }
                   \begin { #3 }
-                    \chemmacros_cee:f { \BODY }
+                    \chemmacros_equation_chemformula:o { \BODY }
                   \end { #3 }
                   \chemmacros_end_reaction:
                 }
@@ -1436,18 +1707,23 @@
                   \NewEnviron { #2* }
                     {
                       \begin { #3* }
-                        \chemmacros_cee:f { \BODY }
+                        \chemmacros_equation_chemformula:o { \BODY }
                       \end { #3* }
                     }
                 }
             }
         }
+      \ignorespaces
     }
   }
 
-\cs_new:Npn \chemmacros_cee:n #1
-  { \cee { #1 } }
-\cs_generate_variant:Nn \chemmacros_cee:n { f }
+\cs_new:Npn \chemmacros_equation_chemformula:n #1
+  {
+    \bool_if:NTF \l_chemmacros_use_mhchem_bool
+      { \cee { #1 } }
+      { \ch { #1 } }
+  }
+\cs_generate_variant:Nn \chemmacros_equation_chemformula:n { o }
 
 % predefined:
 \bool_if:NF \l_chemmacros_version_one_bool
@@ -1456,9 +1732,6 @@
     \newreaction [ star ] { reactions } { align }
   }
 
-\NewDocumentCommand \chcancel { m }
-  { \cancel { \chemmacros_atom:f { #1 } } }
-
 % --------------------------------------------------------------------------- %
 % thermodynamics et.al.
 % \standardstate as defined by the chemstyle package. Thanks to Joseph Wright
@@ -1754,14 +2027,16 @@
             }
         }
     \group_end:
+    \ignorespaces
   }
 
 % predefined:
 \bool_if:NF \l_chemmacros_version_one_bool
   {
-    \setnewstate              {Enthalpy} {H} {\kilo\joule\per\mole}
-    \setnewstate[delta=false,subscript-left=false] {Entropy}  {S} {\joule\per\kelvin\per\mole}
-    \setnewstate              {Gibbs}    {G} {\kilo\joule\per\mole}
+    \setnewstate {Enthalpy} {H} {\kilo\joule\per\mole}
+    \setnewstate [ delta=false, subscript-left=false ] {Entropy}
+      {S} {\joule\per\kelvin\per\mole}
+    \setnewstate {Gibbs} {G} {\kilo\joule\per\mole}
   }
 
 % --------------------------------------------------------------------------- %
@@ -1804,9 +2079,6 @@
     angle       .default:n = 0
   }
 
-% old usage (v1.1):
-% \newman[<angle>,<scale>,<tikz ring>][<tikz (front) nodes>][<tikz back nodes>]{<1>,<2>,<3>,<4>,<5>,<6>}
-% new usage (v1.2):
 % \newman[<keyval>](<angle>){<1>,<2>,<3>,<4>,<5>,<6>}
 \bool_if:NF \l_chemmacros_version_one_bool
   {
@@ -1815,7 +2087,11 @@
         \group_begin:
           \IfNoValueF { #1 } { \keys_set:nn { chemmacros / newman } { #1 } }
           \IfNoValueTF { #2 }
-            { \fp_set_eq:NN \l_chemmacros_newman_rel_angle_fp \l_chemmacros_newman_abs_angle_fp }
+            {
+              \fp_set_eq:NN
+                \l_chemmacros_newman_rel_angle_fp
+                \l_chemmacros_newman_abs_angle_fp
+            }
             { \fp_set:Nn \l_chemmacros_newman_rel_angle_fp { #2 } }
           \chemmacros_newman_atoms:nnnnnn #3
         \group_end:
@@ -1877,8 +2153,10 @@
     \fp_mul:Nn \l_chemmacros_newman_tmp_angle_fp { \fp_use:N \c_pi_fp }
     \fp_zero:N \l_chemmacros_newman_x_fp
     \fp_zero:N \l_chemmacros_newman_y_fp
-    \fp_cos:Nn \l_chemmacros_newman_x_fp { \fp_use:N \l_chemmacros_newman_tmp_angle_fp }
-    \fp_sin:Nn \l_chemmacros_newman_y_fp { \fp_use:N \l_chemmacros_newman_tmp_angle_fp }
+    \fp_cos:Nn \l_chemmacros_newman_x_fp
+      { \fp_use:N \l_chemmacros_newman_tmp_angle_fp }
+    \fp_sin:Nn \l_chemmacros_newman_y_fp
+      { \fp_use:N \l_chemmacros_newman_tmp_angle_fp }
     \fp_mul:Nn \l_chemmacros_newman_x_fp { \fp_use:N #2 }
     \fp_mul:Nn \l_chemmacros_newman_y_fp { \fp_use:N #2 }
   }
@@ -1894,9 +2172,15 @@
         { \l_chemmacros_newman_scale_fp }
       \chemmacros_tikz_draw:f
         { \tl_use:N \l_chemmacros_newman_tikz_ring_tl }
-        ( 15 * \fp_to_dim:N \l_chemmacros_newman_x_fp , 15 * \fp_to_dim:N \l_chemmacros_newman_y_fp )
+        (
+          15 * \fp_to_dim:N \l_chemmacros_newman_x_fp ,
+          15 * \fp_to_dim:N \l_chemmacros_newman_y_fp
+        )
         --
-        ( 30 * \fp_to_dim:N \l_chemmacros_newman_x_fp , 30 * \fp_to_dim:N \l_chemmacros_newman_y_fp ) ;
+        (
+          30 * \fp_to_dim:N \l_chemmacros_newman_x_fp ,
+          30 * \fp_to_dim:N \l_chemmacros_newman_y_fp
+        ) ;
       \chemmacros_newman_coordinates:on
         { \fp_to_int:N \l_chemmacros_newman_rel_angle_fp }
         { \l_chemmacros_newman_scale_fp }
@@ -1905,7 +2189,11 @@
           chemmacros_newman_atom_back,
           anchor = -180 + \fp_to_int:N \l_chemmacros_newman_rel_angle_fp
         }
-        at  ( 31 * \fp_to_dim:N \l_chemmacros_newman_x_fp , 31 * \fp_to_dim:N \l_chemmacros_newman_y_fp )
+        at
+        (
+          31 * \fp_to_dim:N \l_chemmacros_newman_x_fp ,
+          31 * \fp_to_dim:N \l_chemmacros_newman_y_fp
+        )
         { #2 } ;
     \group_end:
   }
@@ -1917,11 +2205,19 @@
     \chemmacros_newman_coordinates:nn { #1 } { \l_chemmacros_newman_scale_fp }
     \chemmacros_tikz_draw:f
       { \tl_use:N \l_chemmacros_newman_tikz_ring_tl }
-      (0,0) -- ++ ( 30 * \fp_to_dim:N \l_chemmacros_newman_x_fp , 30 * \fp_to_dim:N \l_chemmacros_newman_y_fp ) ;
+      (0,0) -- ++
+      (
+        30 * \fp_to_dim:N \l_chemmacros_newman_x_fp ,
+        30 * \fp_to_dim:N \l_chemmacros_newman_y_fp
+      ) ;
     \chemmacros_newman_coordinates:nn { #1 } { \l_chemmacros_newman_scale_fp }
     \chemmacros_tikz_node:f
       { chemmacros_newman_atom_front, anchor = -180 + #1 }
-      at ( 31 * \fp_to_dim:N \l_chemmacros_newman_x_fp , 31 * \fp_to_dim:N \l_chemmacros_newman_y_fp )
+      at
+      (
+        31 * \fp_to_dim:N \l_chemmacros_newman_x_fp ,
+        31 * \fp_to_dim:N \l_chemmacros_newman_y_fp
+      )
       { #2 } ;
   }
 \cs_generate_variant:Nn \chemmacros_newman_front_node:nn { nf }
@@ -2066,7 +2362,8 @@
       }
     \chemmacros_tikz_picture:xn{ \chemmacros_orbital_options: }
       {
-        \chemmacros_tikz_shade:f { ball~color = \l_chemmacros_orbital_s_phase_color_tl }
+        \chemmacros_tikz_shade:f
+          { ball~color = \l_chemmacros_orbital_s_phase_color_tl }
           (0,0) circle (\l_chemmacros_orbital_s_scale_tl * .6em) ;
       }
   }
@@ -2127,17 +2424,39 @@
       }
     \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: }
       {
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_p_pphase_color_tl , ball~color = \l_chemmacros_orbital_p_pphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_p_scale_tl * 2em,\l_chemmacros_orbital_p_scale_tl * 2em) and
-          ++(\l_chemmacros_orbital_p_scale_tl * 2em,\l_chemmacros_orbital_p_scale_tl * 2em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_p_pphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_p_pphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_p_scale_tl * 2em ,
+            \l_chemmacros_orbital_p_scale_tl * 2em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_p_scale_tl * 2em ,
+            \l_chemmacros_orbital_p_scale_tl * 2em
+          )
           .. (0,0);
         \bool_if:NF \l_chemmacros_orbital_p_half_bool
           {
-            \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_p_mphase_color_tl , ball~color = \l_chemmacros_orbital_p_mphase_color_tl }
-              (0,0) .. controls
-              ++(- \l_chemmacros_orbital_p_scale_tl * 2em,- \l_chemmacros_orbital_p_scale_tl * 2em) and
-              ++(\l_chemmacros_orbital_p_scale_tl * 2em,- \l_chemmacros_orbital_p_scale_tl * 2em)
+            \chemmacros_tikz_shadedraw:f
+              {
+                draw = \l_chemmacros_orbital_p_mphase_color_tl ,
+                ball~color = \l_chemmacros_orbital_p_mphase_color_tl
+              }
+              (0,0) .. controls ++
+              (
+                - \l_chemmacros_orbital_p_scale_tl * 2em ,
+                - \l_chemmacros_orbital_p_scale_tl * 2em
+              )
+              and ++
+              (
+                \l_chemmacros_orbital_p_scale_tl * 2em ,
+                - \l_chemmacros_orbital_p_scale_tl * 2em
+              )
               .. (0,0);
           }
       }
@@ -2197,15 +2516,37 @@
       }
     \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: }
       {
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_sp_pphase_color_tl , ball~color = \l_chemmacros_orbital_sp_pphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_sp_scale_tl * 2em,\l_chemmacros_orbital_sp_scale_tl * 2em) and
-          ++(\l_chemmacros_orbital_sp_scale_tl * 2em,\l_chemmacros_orbital_sp_scale_tl * 2em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_sp_pphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_sp_pphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_sp_scale_tl * 2em ,
+            \l_chemmacros_orbital_sp_scale_tl * 2em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_sp_scale_tl * 2em ,
+            \l_chemmacros_orbital_sp_scale_tl * 2em
+          )
           .. (0,0);
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_sp_mphase_color_tl , ball~color = \l_chemmacros_orbital_sp_mphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_sp_scale_tl * .6em,- \l_chemmacros_orbital_sp_scale_tl * .6em) and
-          ++(\l_chemmacros_orbital_sp_scale_tl * .6em,- \l_chemmacros_orbital_sp_scale_tl * .6em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_sp_mphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_sp_mphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_sp_scale_tl * .6em ,
+            - \l_chemmacros_orbital_sp_scale_tl * .6em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_sp_scale_tl * .6em ,
+            - \l_chemmacros_orbital_sp_scale_tl * .6em
+          )
           .. (0,0);
       }
   }
@@ -2264,15 +2605,37 @@
       }
     \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: }
       {
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_sptwo_pphase_color_tl , ball~color = \l_chemmacros_orbital_sptwo_pphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_sptwo_scale_tl * 2em,\l_chemmacros_orbital_sptwo_scale_tl * 2em) and
-          ++(\l_chemmacros_orbital_sptwo_scale_tl * 2em,\l_chemmacros_orbital_sptwo_scale_tl * 2em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_sptwo_pphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_sptwo_pphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_sptwo_scale_tl * 2em ,
+            \l_chemmacros_orbital_sptwo_scale_tl * 2em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_sptwo_scale_tl * 2em ,
+            \l_chemmacros_orbital_sptwo_scale_tl * 2em
+          )
           .. (0,0);
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_sptwo_mphase_color_tl , ball~color = \l_chemmacros_orbital_sptwo_mphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_sptwo_scale_tl * .8em,- \l_chemmacros_orbital_sptwo_scale_tl * .8em) and
-          ++(\l_chemmacros_orbital_sptwo_scale_tl * .8em,- \l_chemmacros_orbital_sptwo_scale_tl * .8em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_sptwo_mphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_sptwo_mphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_sptwo_scale_tl * .8em ,
+            - \l_chemmacros_orbital_sptwo_scale_tl * .8em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_sptwo_scale_tl * .8em ,
+            - \l_chemmacros_orbital_sptwo_scale_tl * .8em
+          )
           .. (0,0);
       }
   }
@@ -2331,15 +2694,37 @@
       }
     \chemmacros_tikz_picture:xn { \chemmacros_orbital_options: }
       {
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_spthree_pphase_color_tl , ball~color = \l_chemmacros_orbital_spthree_pphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_spthree_scale_tl * 2em,\l_chemmacros_orbital_spthree_scale_tl * 2em) and
-          ++(\l_chemmacros_orbital_spthree_scale_tl * 2em,\l_chemmacros_orbital_spthree_scale_tl * 2em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_spthree_pphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_spthree_pphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_spthree_scale_tl * 2em ,
+            \l_chemmacros_orbital_spthree_scale_tl * 2em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_spthree_scale_tl * 2em ,
+            \l_chemmacros_orbital_spthree_scale_tl * 2em
+          )
           .. (0,0);
-        \chemmacros_tikz_shadedraw:f { draw = \l_chemmacros_orbital_spthree_mphase_color_tl , ball~color = \l_chemmacros_orbital_spthree_mphase_color_tl }
-          (0,0) .. controls
-          ++(- \l_chemmacros_orbital_spthree_scale_tl * 1em,- \l_chemmacros_orbital_spthree_scale_tl * 1em) and
-          ++(\l_chemmacros_orbital_spthree_scale_tl * 1em,- \l_chemmacros_orbital_spthree_scale_tl * 1em)
+        \chemmacros_tikz_shadedraw:f
+          {
+            draw = \l_chemmacros_orbital_spthree_mphase_color_tl ,
+            ball~color = \l_chemmacros_orbital_spthree_mphase_color_tl
+          }
+          (0,0) .. controls ++
+          (
+            - \l_chemmacros_orbital_spthree_scale_tl * 1em ,
+            - \l_chemmacros_orbital_spthree_scale_tl * 1em
+          )
+          and ++
+          (
+            \l_chemmacros_orbital_spthree_scale_tl * 1em ,
+            - \l_chemmacros_orbital_spthree_scale_tl * 1em
+          )
           .. (0,0);
       }
   }
@@ -2386,13 +2771,102 @@
   }
 
 % --------------------------------------------------------------------------- %
+% arrow tips for electron movement
+\dim_new:N \l_chemmacros_el_length_dim
+
+% full tip for pairs
+\pgfarrowsdeclare { el } { el }
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemmacros_el_length_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemmacros_el_length_dim }
+        { .3\l_chemmacros_el_length_dim }
+    }
+  \pgfpathlineto
+    { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemmacros_el_length_dim }
+        { -.3\l_chemmacros_el_length_dim }
+    }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+% half tip on the left
+\pgfarrowsdeclare { left~el } { left~el }
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemmacros_el_length_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemmacros_el_length_dim }
+        { .3\l_chemmacros_el_length_dim }
+    }
+  \pgfpathlineto { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+% half tip in the right
+\pgfarrowsdeclare { right~el } { right~el }
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfarrowsleftextend { -\l_chemmacros_el_length_dim }
+  \pgfarrowsrightextend { .5\pgflinewidth }
+}
+{
+  \dim_set:Nn \l_chemmacros_el_length_dim
+    { 2.5pt + 2.5\pgflinewidth }
+  \pgfsetdash {} { 0pt }
+  \pgfsetroundjoin
+  \pgfsetroundcap
+  \pgfpathmoveto { \pgfpoint { 0pt } { 0pt } }
+  \pgfpathlineto
+    {
+      \pgfpoint
+        { -\l_chemmacros_el_length_dim }
+        { -.3\l_chemmacros_el_length_dim }
+    }
+  \pgfpathlineto { \pgfpoint { -.5\l_chemmacros_el_length_dim } { 0pt } }
+  \pgfpathlineto { \pgfpoint { 0pt } { 0pt } }
+  \pgfusepathqfillstroke
+}
+
+% --------------------------------------------------------------------------- %
 % setup
 \NewDocumentCommand \chemsetup { o m }
   {
     \IfNoValueTF { #1 }
       { \keys_set:nn { chemmacros } { #2 } }
       { \keys_set:nn { chemmacros / #1 } { #2 } }
-%     \tex_unskip:D
+    \ignorespaces
   }
 
 % --------------------------------------------------------------------------- %
@@ -2402,6 +2876,33 @@
     \input { chemmacros-version1 . cfg }
   }
 
+% --------------------------------------------------------------------------- %
+% hyperref support
+\AfterPackage* { hyperref }
+  {
+    \pdfstringdefDisableCommands
+      {
+        \cs_set:Npn \- { - }
+        \cs_set:Npn \| { }
+        \cs_set:Npn \iupac #1 { #1 }
+        \cs_set:Npn \ortho { o }
+        \cs_set:Npn \meta  { m }
+        \cs_set:Npn \para  { p }
+        \cs_set:Npn \Dfi   { D }
+        \cs_set:Npn \Lfi   { L }
+        \cs_set:Npn \tert  { tert }
+        \cs_set:Npn \cis   { cis }
+        \cs_set:Npn \trans { trans }
+        \cs_set:Npn \E     { E }
+        \cs_set:Npn \Z     { Z }
+        \cs_set:Npn \Ent   { E }
+        \cs_set:Npn \Zus   { Z }
+        \cs_set:Npn \Rcip  { (R) }
+        \cs_set:Npn \Scip  { (S) }
+        \cs_set:Npn \cip #1 { (#1) }
+      }
+  }
+
 \tex_endinput:D
 
 % --------------------------------------------------------------------------- %
@@ -2433,4 +2934,24 @@ Version history
 2011/11/03 version 2.0a - minor bug fixes
                         - new feature for \Nu
                         - new command \ba
-% --------------------------------------------------------------------------- %
\ No newline at end of file
+2012/01/28 version 3.0  - bundled with packages `formula' and `ghs'
+                        - new commands \Ka, \Kb, \Kw
+                        - commands can detect if font series is bold
+                        - new package option "detect-bold"
+                        - new package option "method" => choose between `mhchem'
+                          and `formula' for internal uses.
+                        - new package option "ghs" => load `ghs' or don't
+                        - new package option "synchronize"
+                        - new package option "strict"
+                        - new command \iupac
+                        - new command \listofreactions, reaction environments
+                          with optional argument
+                        - \cis, \trans, \tert without \xspace
+2012/01/30 version 3.0a - bugfix in formula.sty
+                        - renamed formula => chemformula
+                          and ghs => ghsystem to make the names unique
+                          (following a request by Karl Berry)
+% --------------------------------------------------------------------------- %
+% TODO:
+- ox-option xfrac vs math?
+- Option „side“ for Phasen-Befehle?
\ No newline at end of file
diff --git a/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
new file mode 100644
index 00000000000..1f1be06e3cd
--- /dev/null
+++ b/Master/texmf-dist/tex/latex/chemmacros/ghsystem.sty
@@ -0,0 +1,436 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% --------------------------------------------------------------------------- %
+% - the CHEMMACROS bundle                                                   - %
+% - ghsystem.sty                                                            - %
+% - macros and commands for chemists                                        - %
+% --------------------------------------------------------------------------- %
+% - Clemens Niederberger                                                    - %
+% - 2012/01/30                                                              - %
+% --------------------------------------------------------------------------- %
+% - http://www.mychemistry.eu/                                              - %
+% - contact@mychemistry.eu                                                  - %
+% --------------------------------------------------------------------------- %
+% - If you have any ideas, questions, suggestions or bugs to report, please - %
+% - feel free to contact me.                                                - %
+% --------------------------------------------------------------------------- %
+% - Copyright 2011-2012 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 }
+\ProvidesExplPackage {ghsystem} {2012/01/30} {3.0a} {globally harmonised system}
+
+% --------------------------------------------------------------------------- %
+% error and warning messages:
+\msg_set:nnnn { ghsystem } { explicit }
+  { It~seems~you've~loaded~`ghsystem'~explicitly. }
+  {
+    It~seems~you've~loaded~`ghsystem'~explicitly.~This~should~work~but~the~
+    recommended~way~is~to~load~it~via~the~bundle,~i.e.~by~using~
+    \token_to_str:N \usepackage \{ chemmacros \}.
+  }
+  
+\msg_set:nnnn { ghsystem } { statements }
+  {
+    You've~tried~to~call~statement~#1#2~ \msg_line_context: \c_space_tl but~it~
+    it~is~not~defined~in~ghsystem.sty .
+  }
+  {
+    You've~tried~to~call~statement~#1#2~ \msg_line_context: \c_space_tl but~it~
+    it~is~not~defined~in~ghsystem.sty . ~ Are~you~sure~it~exists? ~ If~so~please~send
+    ~a~message~to~the~author.~Thanks.
+  }
+
+\msg_set:nnnn { ghsystem } { booktabs }
+  { Package~`booktabs'~missing~\msg_line_context: . }
+  {
+    Option~#1~of~the~\token_to_str:N \ghslistall \c_space_tl command~
+    \msg_line_context: \c_space_tl needs~the~`booktabs'~package . ~Please~make~
+    sure~to~load~it~in~your~preamble.
+  }
+
+% --------------------------------------------------------------------------- %
+% test, if we are loaded without the `chemmacros' package
+\cs_if_exist:cF { ver@chemmacros.sty }
+  { \msg_warning:nn { ghsystem } { explicit } }
+
+% pass options to the `chemmacros' package
+\DeclareOption*
+  { \PassOptionsToPackage { \CurrentOption } { chemmacros } }
+\ProcessOptions\relax
+
+% load required packages:
+\RequirePackage{ chemmacros , graphicx , tabu , longtable , ifpdf }
+
+% --------------------------------------------------------------------------- %
+% define variables:
+\prop_new:N \l_ghsystem_h_prop
+\prop_new:N \l_ghsystem_euh_prop
+\prop_new:N \l_ghsystem_p_prop
+
+\cs_new:Npn \ghsystem_exposure: {}
+\cs_new:Npn \ghsystem_effect: {}
+\cs_new:Npn \ghsystem_organs: {}
+\cs_new:Npn \ghsystem_substance: {}
+\cs_new:Npn \ghsystem_text: {}
+
+\bool_new:N \l_ghsystem_fill_in_bool
+\bool_new:N \l_ghsystem_show_number_bool
+\bool_new:N \l_ghsystem_substance_bool
+\bool_new:N \l_ghsystem_organs_bool
+\bool_new:N \l_ghsystem_hide_statement_bool
+\bool_new:N \l_ghsystem_engine_pdftex_bool
+\bool_new:N \l_ghsystem_engine_xetex_bool
+\bool_new:N \l_ghsystem_engine_luatex_bool
+
+\tl_new:N \l_ghsystem_number_space_tl
+\tl_new:N \l_ghsystem_celsius_temperature_tl
+\tl_new:N \l_ghsystem_fahrenheit_temperature_tl
+\tl_new:N \l_ghsystem_kg_mass_tl
+\tl_new:N \l_ghsystem_lbs_mass_tl
+\tl_new:N \l_ghsystem_dots_tl
+\tl_set:Nn \l_ghsystem_dots_tl { \ldots }
+\tl_new:N \l_ghsystem_picture_scale_default_tl
+\tl_set:Nn \l_ghsystem_picture_scale_default_tl { .05 }
+\tl_new:N \l_ghsystem_picture_scale_tl
+\tl_set_eq:NN \l_ghsystem_picture_scale_tl \l_ghsystem_picture_scale_default_tl
+\tl_new:N \l_ghsystem_picture_includegraphics_tl
+\tl_new:N \l_ghsystem_picture_type_tl
+\tl_new:N \l_ghsystem_identifier_tl
+\tl_new:N \l_ghsystem_table_text_tl
+\tl_new:N \l_ghsystem_table_next_page_tl
+\tl_new:N \l_ghsystem_table_head_rule_tl
+\tl_set:Nn \l_ghsystem_table_head_rule_tl { \hline }
+\tl_new:N \l_ghsystem_table_top_head_rule_tl
+\tl_set:Nn \l_ghsystem_table_top_head_rule_tl { \hline }
+\tl_new:N \l_ghsystem_table_foot_rule_tl
+\tl_set:Nn \l_ghsystem_table_foot_rule_tl { \hline }
+\tl_new:N \l_ghsystem_table_last_foot_rule_tl
+\tl_set:Nn \l_ghsystem_table_last_foot_rule_tl { \hline }
+\tl_new:N \l_ghsystem_table_caption_tl
+\tl_new:N \l_ghsystem_table_caption_short_tl
+\tl_new:N \l_ghsystem_table_label_tl
+\tl_set:Nn \l_ghsystem_table_label_tl { tab : ghs-hp-statements }
+
+\dim_new:N \l_ghsystem_table_line_sep_dim
+\dim_set:Nn \l_ghsystem_table_line_sep_dim { 3pt }
+
+\fp_new:N \l_ghsystem_picture_scale_fp
+\fp_set:Nn \l_ghsystem_picture_scale_fp { \l_ghsystem_picture_scale_tl }
+
+\DeclareSIUnit { \GHSfahrenheit } { \SIUnitSymbolDegree F }
+\DeclareSIUnit { \GHScelsius } { \SIUnitSymbolDegree C }
+\DeclareSIUnit { \GHSkilogram } { kg }
+\DeclareSIUnit { \GHSpounds } { lbs }
+
+\bool_if:NTF \l_chemmacros_german_bool
+  { \input { language / ghsystem_german.def } \ExplSyntaxOn }
+  { \input { language / ghsystem_english.def } \ExplSyntaxOn }
+
+\cs_new_nopar:Nn \ghsystem_booktabs:n
+  {
+    \cs_if_exist:cF { ver@booktabs.sty }
+      { \msg_error:nnx { ghsystem } { booktabs } { #1 } }
+  }
+
+% --------------------------------------------------------------------------- %
+% define options:
+\keys_define:nn { chemmacros / ghsystem }
+  {
+    % general options:
+    language                        .code:n     =
+      \bool_set_true:c { l_ghsystem_#1_bool }
+      \input { language /  ghsystem_#1.def } \ExplSyntaxOn ,
+    % \ghs options:
+    hide                            .bool_set:N = \l_ghsystem_hide_statement_bool ,
+    hide                            .default:n  = true ,
+    fill-in                         .bool_set:N = \l_ghsystem_fill_in_bool ,
+    fill-in                         .default:n  = true ,
+    exposure                        .code:n     =
+      \cs_set:Npn \ghsystem_exposure: { ~ #1 } ,
+    effect                          .code:n     =
+      \cs_set:Npn \ghsystem_effect: { ~ #1 } ,
+    organs                          .code:n     =
+      \bool_set_true:N \l_ghsystem_organs_bool
+      \cs_set:Npn \ghsystem_organs: { ~ #1 } ,
+    substance                       .code:n     =
+      \bool_set_true:N \l_ghsystem_substance_bool
+      \cs_set:Npn \ghsystem_substance: { ~ #1 } ,
+    text                            .code:n     =
+      \cs_set:Npn \ghsystem_text: { ~ #1 } ,
+    space                           .tl_set:N   = \l_ghsystem_number_space_tl ,
+    C-temperature                   .tl_set:N   = \l_ghsystem_celsius_temperature_tl ,
+    F-temperature                   .tl_set:N   =
+      \l_ghsystem_fahrenheit_temperature_tl ,
+    kg-mass                         .tl_set:N   = \l_ghsystem_kg_mass_tl ,
+    lbs-mass                        .tl_set:N   = \l_ghsystem_lbs_mass_tl ,
+    dots                            .tl_set:N   = \l_ghsystem_dots_tl ,
+    % \ghspic options:
+    scale                           .code:n     =
+      \fp_mul:Nn \l_ghsystem_picture_scale_fp { #1 } ,
+    includegraphics                 .code:n     =
+      \tl_set:Nn \l_ghsystem_picture_includegraphics_tl { , #1 } ,
+    pic-type                        .choices:nn = { eps , jpg , png }
+      { \tl_set_eq:NN \l_ghsystem_picture_type_tl \l_keys_choice_tl } ,
+    % \ghslistall options:
+    table-head-number               .tl_set:N   = \l_ghsystem_identifier_tl ,
+    table-head-text                 .tl_set:N   = \l_ghsystem_table_text_tl ,
+    table-next-page                 .tl_set:N   = \l_ghsystem_table_next_page_tl ,
+    table-row-sep                   .dim_set:N  = \l_ghsystem_table_line_sep_dim ,
+    table-head-rule                 .choice: ,
+    table-head-rule / default       .code:n     =
+      \tl_set:Nn \l_ghsystem_table_head_rule_tl { \hline } ,
+    table-head-rule / booktabs      .code:n     =
+      \ghsystem_booktabs:n { table-head-rule }
+      \tl_set:Nn \l_ghsystem_table_head_rule_tl { \midrule } ,
+    table-head-rule / none          .code:n     =
+      \tl_clear:N \l_ghsystem_table_head_rule_tl ,
+    table-top-head-rule             .choice: ,
+    table-top-head-rule / default   .code:n     =
+      \tl_set:Nn \l_ghsystem_table_top_head_rule_tl { \hline } ,
+    table-top-head-rule / booktabs  .code:n     =
+      \ghsystem_booktabs:n { table-top-head-rule }
+      \tl_set:Nn \l_ghsystem_table_top_head_rule_tl { \toprule } ,
+    table-top-head-rule / none      .code:n     =
+      \tl_clear:N \l_ghsystem_table_top_head_rule_tl ,
+    table-foot-rule                 .choice: ,
+    table-foot-rule / default       .code:n     =
+      \tl_set:Nn \l_ghsystem_table_foot_rule_tl { \hline } ,
+    table-foot-rule / booktabs      .code:n     =
+      \ghsystem_booktabs:n { table-foot-rule }
+      \tl_set:Nn \l_ghsystem_table_foot_rule_tl { \midrule } ,
+    table-foot-rule / none          .code:n     =
+      \tl_clear:N \l_ghsystem_table_foot_rule_tl ,
+    table-last-foot-rule            .choice: ,
+    table-last-foot-rule / default  .code:n     =
+      \tl_set:Nn \l_ghsystem_table_last_foot_rule_tl { \hline } ,
+    table-last-foot-rule / booktabs .code:n     =
+      \ghsystem_booktabs:n { table-last-foot-rule }
+      \tl_set:Nn \l_ghsystem_table_last_foot_rule_tl { \bottomrule } ,
+    table-last-foot-rule / none     .code:n     =
+      \tl_clear:N \l_ghsystem_table_last_foot_rule_tl ,
+    table-rules                     .choice: ,
+    table-rules / default           .code:n     =
+      \tl_set:Nn \l_ghsystem_table_head_rule_tl { \hline }
+      \tl_set:Nn \l_ghsystem_table_top_head_rule_tl { \hline }
+      \tl_set:Nn \l_ghsystem_table_foot_rule_tl { \hline }
+      \tl_set:Nn \l_ghsystem_table_last_foot_rule_tl { \hline } ,
+    table-rules / booktabs          .code:n     =
+      \ghsystem_booktabs:n { table-rules }
+      \tl_set:Nn \l_ghsystem_table_head_rule_tl { \midrule }
+      \tl_set:Nn \l_ghsystem_table_top_head_rule_tl { \toprule }
+      \tl_set:Nn \l_ghsystem_table_foot_rule_tl { \midrule }
+      \tl_set:Nn \l_ghsystem_table_last_foot_rule_tl { \bottomrule } ,
+    table-rules / none              .code:n     =
+      \tl_clear:N \l_ghsystem_table_head_rule_tl
+      \tl_clear:N \l_ghsystem_table_top_head_rule_tl
+      \tl_clear:N \l_ghsystem_table_foot_rule_tl
+      \tl_clear:N \l_ghsystem_table_last_foot_rule_tl ,
+    table-caption                   .tl_set:N   = \l_ghsystem_table_caption_tl ,
+    table-caption-short             .tl_set:N   = \l_ghsystem_table_caption_short_tl ,
+    table-label                     .tl_set:N   = \l_ghsystem_table_label_tl
+  }
+
+% --------------------------------------------------------------------------- %
+% the main command for getting the H/EUH/P statements
+%   \ghs{<type>}{<num>}
+%   \ghs*{<type>}{<num>} : type without number
+%
+\NewDocumentCommand \ghs { somm }
+  {
+    \group_begin:
+      \IfBooleanF { #1 } { \bool_set_true:N \l_ghsystem_show_number_bool }
+      \IfNoValueF { #2 } { \keys_set:nn { chemmacros / ghsystem } { #2 } }
+      \ghsystem_read_args:nn { #3 } { #4 }
+    \group_end:
+  }
+
+\cs_new:Nn \ghsystem_read_args:nn
+  {
+    \ghsystem_get_type:nN { #1 } \l_tmpa_tl
+    \prop_get:cnNTF { l_ghsystem_ \l_tmpa_tl _prop } { #2 } \l_tmpb_tl
+      {
+        \ghsystem_is_combination:nn { #1 } { #2 }
+        \bool_if:NF \l_ghsystem_hide_statement_bool
+          { \tl_use:N \l_tmpb_tl  }
+      }
+      { \chemmacros_msg:nnxx { ghsystem } { statements } { #1 } { #2 } }
+  }
+
+\cs_new:Nn \ghsystem_get_type:nN
+  {
+    \tl_if_eq:nnT { #1 } { h }   { \tl_set:Nn #2 { h } }
+    \tl_if_eq:nnT { #1 } { H }   { \tl_set:Nn #2 { h } }
+    \tl_if_eq:nnT { #1 } { euh } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { Euh } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { euH } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { eUh } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { EUh } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { EuH } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { eUH } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { EUH } { \tl_set:Nn #2 { euh } }
+    \tl_if_eq:nnT { #1 } { p }   { \tl_set:Nn #2 { p } }
+    \tl_if_eq:nnT { #1 } { P }   { \tl_set:Nn #2 { p } }
+  }
+
+\cs_new:Nn \ghsystem_is_combination:nn
+  {
+    \tl_if_in:nnTF { #2 } { + }
+      { \ghsystem_is_combination_aux_i:w #1,#2 \q_stop }
+      { \ghsystem_is_combination_aux_ii:w #1,#2 \q_stop }
+  }
+
+\cs_new:Npn \ghsystem_is_combination_aux_i:w #1,#2+#3 \q_stop
+  {
+    \bool_if:NT \l_ghsystem_show_number_bool
+      {
+        \tl_to_uppercase:n { #1 }
+        \tl_use:N \l_ghsystem_number_space_tl
+        #2 ~ + ~
+        \tl_if_in:nnTF { #3 } { + }
+          { \ghsystem_is_combination_aux_iii:w #1,#3 \q_stop }
+          {
+            \tl_to_uppercase:n { #1 }
+            \tl_use:N \l_ghsystem_number_space_tl
+            #3 \bool_if:NF \l_ghsystem_hide_statement_bool { : ~ }
+          }
+      }
+  }
+
+\cs_new:Npn \ghsystem_is_combination_aux_ii:w #1,#2 \q_stop
+  {
+    \bool_if:NT \l_ghsystem_show_number_bool
+      {
+        \tl_to_uppercase:n { #1 }
+        \tl_use:N \l_ghsystem_number_space_tl
+        #2 \bool_if:NF \l_ghsystem_hide_statement_bool { : ~ }
+      }
+  }
+
+\cs_new:Npn \ghsystem_is_combination_aux_iii:w #1,#2+#3 \q_stop
+  {
+    \bool_if:NT \l_ghsystem_show_number_bool
+      {
+        \tl_to_uppercase:n { #1 }
+        \tl_use:N \l_ghsystem_number_space_tl
+        #2 ~ + ~
+        \tl_to_uppercase:n { #1 }
+        \tl_use:N \l_ghsystem_number_space_tl
+        #3 \bool_if:NF \l_ghsystem_hide_statement_bool { : ~ }
+      }
+  }
+
+% --------------------------------------------------------------------------- %
+% list all statements in a table
+%
+\NewDocumentCommand \ghslistall { o }
+  {
+    \group_begin:
+      \IfNoValueF { #1 } { \keys_set:nn { chemmacros / ghsystem } { #1 } }
+      \int_zero:N \l_tmpa_int
+      \int_zero:N \l_tmpb_int
+      \prop_map_inline:Nn \l_ghsystem_p_prop { \int_incr:N \l_tmpa_int }
+      \dim_set_eq:NN \tabulinesep \l_ghsystem_table_line_sep_dim
+%       \taburowcolors [2] 2{white .. gray!15}
+      \begin { longtabu } { X[3]X[7,L] }
+          \caption [ \l_ghsystem_table_caption_short_tl ]
+            {
+              \l_ghsystem_table_caption_tl
+              \exp_args:No \label { \l_ghsystem_table_label_tl }
+            } \\
+          \l_ghsystem_table_top_head_rule_tl
+          \textbf { \l_ghsystem_identifier_tl } & \textbf { \l_ghsystem_table_text_tl } \\
+          \l_ghsystem_table_head_rule_tl
+        \endfirsthead
+          \l_ghsystem_table_top_head_rule_tl
+          \textbf { \l_ghsystem_identifier_tl } & \textbf { \l_ghsystem_table_text_tl } \\
+          \l_ghsystem_table_head_rule_tl
+        \endhead
+          \l_ghsystem_table_last_foot_rule_tl
+          \multicolumn{2}{r} { \textit { \l_ghsystem_table_next_page_tl } }
+        \endfoot
+          \l_ghsystem_table_foot_rule_tl \multicolumn{2}{r} { }
+        \endlastfoot
+        \prop_map_inline:Nn \l_ghsystem_h_prop
+          { \ghsystem_read_number:nn { H } { ##1 } & ##2 \\ }
+        \prop_map_inline:Nn \l_ghsystem_euh_prop
+          { \ghsystem_read_number:nn { EUH } { ##1 } & ##2 \\ }
+        \prop_map_inline:Nn \l_ghsystem_p_prop
+          { \ghsystem_read_number:nn { P }   { ##1 } & ##2 \\ }
+      \end { longtabu }
+    \group_end:
+  }
+
+\cs_new:Nn \ghsystem_read_number:nn
+  {
+    \tl_if_in:nnTF { #2 } { + }
+      { \ghsystem_read_number_aux_i:w #1 , #2 \q_stop }
+      { #1#2 }
+  }
+
+\cs_new:Npn \ghsystem_read_number_aux_i:w #1,#2+#3\q_stop
+  {
+     #1#2 ~+~
+     \tl_if_in:nnTF { #3 } { + }
+       { \ghsystem_read_number_aux_ii:w #1,#3 \q_stop }
+       { #1#3 }
+  }
+
+\cs_new:Npn \ghsystem_read_number_aux_ii:w #1,#2+#3\q_stop { #1#2 ~+~ #1#3 }
+
+% --------------------------------------------------------------------------- %
+% the picture command
+%   \ghspic[<options>]{<name>}
+%
+% test for compilation engine/mode:
+\pdftex_if_engine:T { \bool_set_true:N \l_ghsystem_engine_pdftex_bool }
+\xetex_if_engine:T { \bool_set_true:N \l_ghsystem_engine_xetex_bool }
+\luatex_if_engine:T { \bool_set_true:N \l_ghsystem_engine_luatex_bool }
+
+\bool_if:NT \l_ghsystem_engine_pdftex_bool
+  {
+    \ifpdf
+      \tl_set:Nn \l_ghsystem_picture_type_tl { png }
+    \else
+      \tl_set:Nn \l_ghsystem_picture_type_tl { eps }
+    \fi
+  }
+\bool_if:NT \l_ghsystem_engine_xetex_bool
+  { \tl_set:Nn \l_ghsystem_picture_type_tl { png } }
+\bool_if:NT \l_ghsystem_engine_luatex_bool
+  { \tl_set:Nn \l_ghsystem_picture_type_tl { png } }
+
+% the command:
+\NewDocumentCommand \ghspic { om }
+  {
+    \group_begin:
+      \IfNoValueF { #1 } { \keys_set:nn { chemmacros / ghsystem } { #1 } }
+      \ghsystem_includegraphics:xn
+        { scale=\fp_to_tl:N \l_ghsystem_picture_scale_fp \l_ghsystem_picture_includegraphics_tl }
+        { pictures / #2 . \l_ghsystem_picture_type_tl }
+    \group_end:
+  }
+
+\cs_new:Nn \ghsystem_includegraphics:nn
+  { \includegraphics[#1]{#2} }
+\cs_generate_variant:Nn \ghsystem_includegraphics:nn { xn }
+
+\tex_endinput:D
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+VERSION HISTORY
+2012/01/28 - version 3.0  - first published to CTAN with the chemmacros bundle
+2012/01/30 - version 3.0a - bugfix in chemormula.sty, renamed ghs => ghsystem
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% TODO:
+- add option to switch between `longtable` and `supertabular` for \ghslistall
\ No newline at end of file