StressCalculator.h

#ifndef MCMD_STRESS_CALCULATOR_H
#define MCMD_STRESS_CALCULATOR_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.
*/

#include <util/space/Tensor.h>
#include <util/misc/Setable.h>

namespace Util {
   class Vector;
}

namespace McMd
{

   using namespace Util;

   class StressCalculator
   {

   public:

      virtual void computeStress()
      {  UTIL_THROW("Unimplemented computeStress function"); }
      
      virtual void unsetStress();

      void computeStress(Tensor& stress);

      void computeStress(Vector& pressures);

      void computeStress(double& pressure);

      bool createsStress() const;

   protected:

      // Setable value of stress tensor.
      Setable<Tensor> stress_;

      StressCalculator(bool createsStress = true);

   private:

      bool createsStress_;

   };

}
#endif