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_CONFIGURATIONS_MPICONFIGURATION_H_
       6              : #define _MOLECULARDYNAMICS_CONFIGURATIONS_MPICONFIGURATION_H_
       7              : 
       8              : #include "simplemd/MolecularDynamicsDefinitions.h"
       9              : #include "tarch/configuration/Configuration.h"
      10              : #include "tarch/la/Vector.h"
      11              : #include <iostream>
      12              : 
      13              : namespace simplemd {
      14              : namespace configurations {
      15              : class MPIConfiguration;
      16              : }
      17              : } // namespace simplemd
      18              : 
      19              : /** configuration for distributed MPI MD simulations. Currently only contains
      20              :  * the splitting of the processes for the domain.
      21              :  *  @author Philipp Neumann
      22              :  */
      23              : class simplemd::configurations::MPIConfiguration : public tarch::configuration::Configuration {
      24              : public:
      25              :   MPIConfiguration();
      26          408 :   virtual ~MPIConfiguration() {}
      27              : 
      28              :   void parseSubtag(tinyxml2::XMLElement* node);
      29              : 
      30              :   /**
      31              :    * Return name of xml tag that is associated to the configuration.
      32              :    */
      33              :   std::string getTag() const;
      34              : 
      35              :   /**
      36              :    * Is config valid?
      37              :    *
      38              :    * This operation usually fails, if
      39              :    *
      40              :    * - parseSubtag() hasn't been called, i.e. configuration has not been
      41              :    *   used, or
      42              :    * - parseSubtag() failed due to a wrong file.
      43              :    *
      44              :    * If a tag ain't optional and parseSubtag() was not called (first case)
      45              :    */
      46              :   bool isValid() const;
      47              : 
      48              :   /** getters */
      49            4 :   const tarch::la::Vector<MD_DIM, unsigned int>& getNumberOfProcesses() const { return _numberOfProcesses; }
      50              : 
      51              : private:
      52              :   static const std::string NUMBER_OF_PROCESSES;
      53              : 
      54              :   tarch::la::Vector<MD_DIM, unsigned int> _numberOfProcesses;
      55              :   bool _isValid;
      56              : };
      57              : 
      58              : #endif // _MOLECULARDYNAMICS_CONFIGURATIONS_MPICONFIGURATION_H_