% --------------------------------------------------------------------------
%
% the CHEMMACROS package -- module: `charges'
%
% --------------------------------------------------------------------------
% Clemens Niederberger
% --------------------------------------------------------------------------
% https://github.org/cgnieder/chemmacros/
% contact@mychemistry.eu
% --------------------------------------------------------------------------
% If you have any ideas, questions, suggestions or bugs to report, please
% feel free to contact me.
% --------------------------------------------------------------------------
% Copyright 2011-2017 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.
% --------------------------------------------------------------------------
\ChemModule{charges}{2015/07/30 charges}

\chemmacros_load_module:n {chemformula}

% --------------------------------------------------------------------------
% circled charge signs: they are defined in the `chemformula' package:
% use directly:
\cs_new_protected:Npn \fplus  { { \chemformula_fplus:  } }
\cs_new_protected:Npn \fminus { { \chemformula_fminus: } }

% change output depending on circled-option
\bool_new:N      \l__chemmacros_circled_bool
\bool_set_true:N \l__chemmacros_circled_bool
\bool_new:N      \l__chemmacros_circled_formal_bool
\bool_set_true:N \l__chemmacros_circled_formal_bool
\bool_new:N      \l__chemmacros_circled_chem_bool
\bool_set_true:N \l__chemmacros_circled_chem_bool


\chemmacros_define_keys:nn {charges}
  {
    circletype         .choice: ,
    circletype / math  .code:n  =
      {
        \bool_set_false:N \l__chemmacros_circled_chem_bool
        \chemmacros_if_package_loaded:nT {chemformula}
          { \bool_set_false:N \l_chemformula_formal_chem_bool }
      } ,
    circletype / chem  .code:n  =
      {
        \bool_set_true:N \l__chemmacros_circled_chem_bool
        \chemmacros_if_package_loaded:nT {chemformula}
          { \bool_set_true:N \l_chemformula_formal_chem_bool }
      } ,
    circletype         .value_required:n = true ,
    circled            .choice: ,
    circled / none     .code:n =
      {
        \bool_set_false:N \l__chemmacros_circled_bool
        \bool_set_false:N \l__chemmacros_circled_formal_bool
        \chemmacros_if_package_loaded:nT {chemformula}
          { \bool_set_false:N \l_chemformula_formal_charges_bool }
      } ,
    circled / formal   .code:n =
      {
        \bool_set_true:N \l__chemmacros_circled_bool
        \bool_set_true:N \l__chemmacros_circled_formal_bool
        \chemmacros_if_package_loaded:nT {chemformula}
          { \bool_set_false:N \l_chemformula_formal_charges_bool }
      } ,
    circled / all      .code:n =
      {
        \bool_set_true:N \l__chemmacros_circled_bool
        \bool_set_false:N \l__chemmacros_circled_formal_bool
        \chemmacros_if_package_loaded:nT {chemformula}
          { \bool_set_true:N \l_chemformula_formal_charges_bool }
      } ,
    circled            .default:n  = all
  }

\cs_new_protected:Npn \chemmacros_plus:  { \chemformula_plus: }
\cs_new_protected:Npn \chemmacros_minus: { \chemformula_minus: }

\cs_new_protected:Npn \chemmacros_formal_plus: { \chemformula_formal_plus: }
\cs_new_protected:Npn \chemmacros_formal_minus: { \chemformula_formal_minus: }

\cs_new_protected:Npn \chemmacros_charge:n #1
  { \chemmacros_chemformula:n { {}^{#1} } }

\cs_new_protected:Npn \chemmacros_new_charge_command:Nn #1#2
  {
    \DeclareDocumentCommand #1 {o}
      {
        \IfNoValueTF {##1}
          { \chemmacros_charge:n {#2} }
          { \chemmacros_charge:n {##1#2} }
      }
  }

\tl_new:N  \l__chemmacros_partial_charge_format_tl
\tl_set:Nn \l__chemmacros_partial_charge_format_tl { \tiny }

\cs_new_protected:Npn \chemmacros_new_partial_charge_command:Nn #1#2
  {
    \cs_new_protected:Npn #1
      {
        \mbox {
          \l__chemmacros_partial_charge_format_tl
          \c_math_toggle_token \delta #2 \c_math_toggle_token
        }
      }
  }

\NewChemMacroset {Charge} {mm}
  { \chemmacros_new_charge_command:Nn #1 {#2} }
  
\NewChemMacroset {PartialCharge} {mm}
  { \chemmacros_new_partial_charge_command:Nn #1 {#2} }

\cs_new_protected:Npn \scrm
  { \ensuremath { \scriptstyle \chemmacros_minus: } }
\cs_new_protected:Npn \scrp
  { \ensuremath { \scriptstyle \chemmacros_plus: } }
\cs_new_protected:Npn \fscrm
  { \ensuremath { \scriptstyle \chemmacros_formal_minus: } }
\cs_new_protected:Npn \fscrp
  { \ensuremath { \scriptstyle \chemmacros_formal_plus: } }
\cs_new_protected:Npn \fsscrm
  { \ensuremath { \scriptscriptstyle \chemmacros_formal_minus: } }
\cs_new_protected:Npn \fsscrp
  { \ensuremath { \scriptscriptstyle \chemmacros_formal_plus: } }

\chemmacros_define_keys:nn {charges}
  {
    partial-format .tl_set:N = \l__chemmacros_partial_charge_format_tl
  }

% --------------------------------------------------------------------------
\NewChemCharge \mch  { \chemmacros_minus: }
\NewChemCharge \pch  { \chemmacros_plus: }
\NewChemCharge \fmch { \chemmacros_formal_minus: }
\NewChemCharge \fpch { \chemmacros_formal_plus: }

% partial charges:
\NewChemPartialCharge \delm  { \chemmacros_minus: }
\NewChemPartialCharge \delp  { \chemmacros_plus: }
\NewChemPartialCharge \fdelm { \chemmacros_formal_minus: }
\NewChemPartialCharge \fdelp { \chemmacros_formal_plus: }

% --------------------------------------------------------------------------