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_EXTERNALFORCESERVICE_H_
       6              : #define _MOLECULARDYNAMICS_SERVICES_EXTERNALFORCESERVICE_H_
       7              : 
       8              : #include "simplemd/MolecularDynamicsDefinitions.h"
       9              : #include "simplemd/Molecule.h"
      10              : #include "simplemd/configurations/ExternalForceConfiguration.h"
      11              : #include <cstdlib>
      12              : #include <iostream>
      13              : #include <vector>
      14              : 
      15              : namespace simplemd {
      16              : namespace services {
      17              : class ExternalForceService;
      18              : }
      19              : } // namespace simplemd
      20              : 
      21              : /** adds external forces to the molecules
      22              :  *  @author Philipp Neumann
      23              :  */
      24              : class simplemd::services::ExternalForceService {
      25              : public:
      26              :   /** initialises the properties */
      27              :   ExternalForceService(const std::vector<simplemd::configurations::ExternalForceConfiguration>& configs);
      28              : 
      29              :   void addExternalForce(tarch::la::Vector<MD_DIM, double>& force);
      30              : 
      31           12 :   ~ExternalForceService() {}
      32              : 
      33              : private:
      34              :   const std::vector<simplemd::configurations::ExternalForceConfiguration>& _configurations;
      35              : };
      36              : #endif // _MOLECULARDYNAMICS_SERVICES_EXTERNALFORCESERVICE_H_