Line data    Source code

       1              : // This file is part of the Mamico project. For conditions of distribution
       2              : // and use, please see the copyright notice in Mamico's main folder
       3              : 
       4              : #ifndef _MOLECULARDYNAMICS_CONFIGURATIONS_DOMAINDECOMPCONFIGURATION_H_
       5              : #define _MOLECULARDYNAMICS_CONFIGURATIONS_DOMAINDECOMPCONFIGURATION_H_
       6              : 
       7              : #include "simplemd/MolecularDynamicsDefinitions.h"
       8              : #include "tarch/configuration/Configuration.h"
       9              : #include "tarch/la/Vector.h"
      10              : #include <array>
      11              : #include <iostream>
      12              : #include <vector>
      13              : 
      14              : namespace simplemd {
      15              : namespace configurations {
      16              : class DomainDecompConfiguration;
      17              : }
      18              : } // namespace simplemd
      19              : 
      20              : /** input configuration for specifying domain decomposition type
      21              :  *  @author Amartya Das Sharma
      22              :  */
      23              : 
      24              : class simplemd::configurations::DomainDecompConfiguration : public tarch::configuration::Configuration {
      25              : public:
      26              :   DomainDecompConfiguration();
      27          408 :   virtual ~DomainDecompConfiguration() {}
      28              : 
      29              :   /** enum containing the type of domain decompositions currently supported
      30              :    * DEFAULT : default behaviour, regularly spaced grid
      31              :    * STATIC_IRREG_RECT_GRID : rectilinear grid with weights given to specify subdomain sizes
      32              :    * E.g. x values 1,2,1 define an x axis with subdomain lengths in the 1:2:1 ratio
      33              :    */
      34              :   enum class DecompositionType { DEFAULT, STATIC_IRREG_RECT_GRID };
      35              : 
      36              :   void parseSubtag(tinyxml2::XMLElement* node);
      37              : 
      38              :   /**
      39              :    * Return name of xml tag that is associated to the configuration.
      40              :    */
      41              :   std::string getTag() const;
      42              : 
      43              :   /**
      44              :    * Is config valid?
      45              :    *
      46              :    * This operation usually fails, if
      47              :    *
      48              :    * - parseSubtag() hasn't been called, i.e. configuration has not been
      49              :    *   used, or
      50              :    * - parseSubtag() failed due to a wrong file.
      51              :    *
      52              :    * If a tag isn't optional and parseSubtag() was not called (first case)
      53              :    */
      54              :   bool isValid() const;
      55              : 
      56              :   /** getters for all parsed and computed quantities */
      57              :   const tarch::la::Vector<MD_DIM, std::vector<unsigned int>>& getSubdomainWeights() const { return _subdomainWeights; }
      58              :   DecompositionType getDecompType() const { return _decompType; }
      59              : 
      60              : private:
      61              :   static const std::string DECOMP_TYPE;
      62              :   static const std::string DEFAULT_DECOMP;
      63              :   static const std::string STATIC_IRREG_RECT_GRID;
      64              :   static const std::string AXES[MD_DIM];
      65              : 
      66              :   /** helper method to parse input string */
      67              :   std::vector<unsigned int> getWeightsFromString(std::string weights);
      68              : 
      69              :   /** type of decomposition */
      70              :   DecompositionType _decompType;
      71              : 
      72              :   /** weights parsed from the XML */
      73              :   tarch::la::Vector<MD_DIM, std::vector<unsigned int>> _subdomainWeights;
      74              : 
      75              :   /** whether the decomposition-type tag was present or not (since the tag is optional) */
      76              :   bool _isDefined;
      77              : 
      78              :   /** validity of the config */
      79              :   bool _isValid;
      80              : };
      81              : 
      82              : #endif // _MOLECULARDYNAMICS_CONFIGURATIONS_DOMAINDECOMPCONFIGURATION_H_