mcMd/chemistry/Mask.h

#ifndef MCMD_MASK_H
#define MCMD_MASK_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

namespace McMd
{

   class Atom;

   class Mask 
   {

   public:

      Mask();

      void clear();

      void append(const Atom& atom);

      bool isMasked(const Atom& atom) const;

      int size() const;

   private:

      static const int Capacity  = 4;

      const Atom* atomPtrs_[Capacity];      

      int  size_;                 

      Mask(const Mask& other);

   }; 

   // Inline member functions.

   /*
   * Check if an Atom is in the masked set.
   */
   inline bool Mask::isMasked(const Atom& atom) const
   {
      const Atom* ptr = &atom;
      for (int i=0; i < size_ ; ++i) {
         if (atomPtrs_[i] == ptr) return true;
      }
      return false;
   }

   /*
   * Return the number of masked atoms.
   */
   inline int Mask::size() const
   { return size_; }

} 
#endif