Line data    Source code

       1              : // Copyright (C) 2015 Technische Universitaet Muenchen
       2              : // This file is part of the Mamico project. For conditions of distribution
       3              : // and use, please see the copyright notice in Mamico's main folder, or at
       4              : // www5.in.tum.de/mamico
       5              : #ifndef _MOLECULARDYNAMICS_SERVICES_MOLECULARPROPERTIESSERVICE_H_
       6              : #define _MOLECULARDYNAMICS_SERVICES_MOLECULARPROPERTIESSERVICE_H_
       7              : 
       8              : #include "simplemd/MolecularDynamicsDefinitions.h"
       9              : #include "simplemd/MolecularProperties.h"
      10              : #include <cstdlib>
      11              : #include <iostream>
      12              : 
      13              : namespace simplemd {
      14              : namespace services {
      15              : class MolecularPropertiesService;
      16              : }
      17              : } // namespace simplemd
      18              : 
      19              : /** access to the molecular properties.
      20              :  *  @author Philipp Neumann
      21              :  */
      22              : class simplemd::services::MolecularPropertiesService {
      23              : public:
      24              :   /** initialises the properties */
      25              :   MolecularPropertiesService(const double& mass, const double& epsilon, const double& sigma, const double& cutOffRadius, const double& kB);
      26              : 
      27              :   /** returns the properties */
      28              :   const MolecularProperties& getMolecularProperties() const;
      29              : 
      30              :   void shutdown();
      31              : 
      32            8 :   ~MolecularPropertiesService() {}
      33              : 
      34              : private:
      35              :   const MolecularProperties _properties;
      36              : };
      37              : #endif // _MOLECULARDYNAMICS_SERVICES_MOLECULARPROPERTIESSERVICE_H_