text: /******************************************************************************
  **
  ** Copyright (C) 2009-2011 Kyle Lutz <kyle.r.lutz@gmail.com>
  ** All rights reserved.
  **
  ** This file is a part of the chemkit project. For more information
  ** see <http://www.chemkit.org>.
  **
  ** Redistribution and use in source and binary forms, with or without
  ** modification, are permitted provided that the following conditions
  ** are met:
  **
  **   * Redistributions of source code must retain the above copyright
  **     notice, this list of conditions and the following disclaimer.
  **   * Redistributions in binary form must reproduce the above copyright
  **     notice, this list of conditions and the following disclaimer in the
  **     documentation and/or other materials provided with the distribution.
  **   * Neither the name of the chemkit project nor the names of its
  **     contributors may be used to endorse or promote products derived
  **     from this software without specific prior written permission.
  **
  ** THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
  ** "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
  ** LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
  ** A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
  ** OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
  ** SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
  ** LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
  ** DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
  ** THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
  ** (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
  ** OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  **
  ******************************************************************************/
  
  #include "countdescriptors.h"
  
  #include <chemkit/atom.h>
  #include <chemkit/foreach.h>
  #include <chemkit/molecule.h>
  
  // === AtomCountDescriptor ================================================= //
  AtomCountDescriptor::AtomCountDescriptor()
      : chemkit::MolecularDescriptor("atom-count")
  {
      setDimensionality(0);
  }
  
  chemkit::Variant AtomCountDescriptor::value(const chemkit::Molecule *molecule) const
  {
      return molecule->atomCount();
  }
  
  // === HeavyAtomCountDescriptor ============================================ //
  HeavyAtomCountDescriptor::HeavyAtomCountDescriptor()
      : chemkit::MolecularDescriptor("heavy-atom-count")
  {
      setDimensionality(0);
  }
  
  chemkit::Variant HeavyAtomCountDescriptor::value(const chemkit::Molecule *molecule) const
  {
      int count = 0;
  
      foreach(const chemkit::Atom *atom, molecule->atoms()){
          if(!atom->is(chemkit::Atom::Hydrogen)){
              count++;
          }
      }
  
      return count;
  }
  
  // === BondCountDescriptor ================================================= //
  BondCountDescriptor::BondCountDescriptor()
      : chemkit::MolecularDescriptor("bond-count")
  {
      setDimensionality(0);
  }
  
  chemkit::Variant BondCountDescriptor::value(const chemkit::Molecule *molecule) const
  {
      return molecule->bondCount();
  }
  
  // === RingCountDescriptor ================================================= //
  RingCountDescriptor::RingCountDescriptor()
      : chemkit::MolecularDescriptor("ring-count")
  {
      setDimensionality(0);
  }
  
  chemkit::Variant RingCountDescriptor::value(const chemkit::Molecule *molecule) const
  {
      return molecule->ringCount();
  }
  