MomentumInsertionConfiguration.h

// Copyright (C) 2015 Technische Universitaet Muenchen
// This file is part of the Mamico project. For conditions of distribution
// and use, please see the copyright notice in Mamico's main folder, or at
// www5.in.tum.de/mamico
#ifndef _MOLECULARDYNAMICS_COUPLING_CONFIGURATIONS_MOMENTUMINSERTIONCONFIGURATION_H_
#define _MOLECULARDYNAMICS_COUPLING_CONFIGURATIONS_MOMENTUMINSERTIONCONFIGURATION_H_
 
#include "coupling/AdditiveMomentumInsertion.h"
#include "coupling/NieVelocityImposition.h"
#include "coupling/NoMomentumInsertion.h"
#include "coupling/SetGivenVelocity4MomentumInsertion.h"
#include "coupling/VelocityGradientRelaxation.h"
#include "tarch/configuration/Configuration.h"
#include "tarch/configuration/ParseConfiguration.h"
#include "tarch/la/Vector.h"
#include <iostream>
 
namespace coupling {
namespace configurations {
class MomentumInsertionConfiguration;
}
} // namespace coupling

class NieTest;

class coupling::configurations::MomentumInsertionConfiguration : public tarch::configuration::Configuration {
public:
  // for testing: give access to variables; will only be used in the read-sense
  friend class ::NieTest;

  enum MomentumInsertionType {
    ADDITIVE_MOMENTUM_INSERTION = 0 ,
    DIRECT_VELOCITY_INSERTION = 1 ,
    VELOCITY_GRADIENT_RELAXATION = 2 ,
    NO_INSERTION = 3 ,
    VELOCITY_GRADIENT_RELAXATION_TOPONLY = 4 ,
    NIE_VELOCITY_IMPOSITION = 5 
  };

  MomentumInsertionConfiguration() : _insertionType(ADDITIVE_MOMENTUM_INSERTION), _isValid(true) {}

  virtual ~MomentumInsertionConfiguration() {}

  void parseSubtag(tinyxml2::XMLElement* node) {
    std::string value;
    tarch::configuration::ParseConfiguration::readStringMandatory(value, node, "type");
    if (value == "additive-momentum-insertion") {
      _insertionType = ADDITIVE_MOMENTUM_INSERTION;
    } else if (value == "direct-velocity-insertion") {
      _insertionType = DIRECT_VELOCITY_INSERTION;
    } else if (value == "velocity-gradient-relaxation") {
      _insertionType = VELOCITY_GRADIENT_RELAXATION;
    } else if (value == "none") {
      _insertionType = NO_INSERTION;
    } else if (value == "velocity-gradient-relaxation-top-only") {
      _insertionType = VELOCITY_GRADIENT_RELAXATION_TOPONLY;
    } else if (value == "nie-velocity-imposition") {
      _insertionType = NIE_VELOCITY_IMPOSITION;
    } else {
      std::cout << "ERROR coupling::MomentumInsertionConfiguration: Wrong "
                   "insertion type!"
                << std::endl;
      _isValid = false;
      exit(EXIT_FAILURE);
    }
 
    if (_insertionType == VELOCITY_GRADIENT_RELAXATION) {
      tarch::configuration::ParseConfiguration::readDoubleMandatory(_velocityRelaxationFactor, node, "velocity-relaxation-factor");
      if ((_velocityRelaxationFactor <= 0.0) || (_velocityRelaxationFactor > 1.0)) {
        std::cout << "ERROR coupling::MomentumInsertionConfiguration: "
                     "velocity-relaxation-factor="
                  << _velocityRelaxationFactor << "!";
        std::cout << " It must be in the range (0.0,1.0]!" << std::endl;
        _isValid = false;
        exit(EXIT_FAILURE);
      }
    } else if (_insertionType == VELOCITY_GRADIENT_RELAXATION_TOPONLY) {
      tarch::configuration::ParseConfiguration::readDoubleMandatory(_velocityRelaxationFactor, node, "velocity-relaxation-factor");
      if ((_velocityRelaxationFactor <= 0.0) || (_velocityRelaxationFactor > 1.0)) {
        std::cout << "ERROR coupling::MomentumInsertionConfiguration: "
                     "velocity-relaxation-factor="
                  << _velocityRelaxationFactor << "!";
        std::cout << " It must be in the range (0.0,1.0]!" << std::endl;
        _isValid = false;
        exit(EXIT_FAILURE);
      }
    } else if (_insertionType == NIE_VELOCITY_IMPOSITION) {
      int buf;
      tarch::configuration::ParseConfiguration::readIntMandatory(buf, node, "innermost-overlap-layer");
      if (buf <= 0) {
        std::cout << "ERROR coupling::MomentumInsertionConfiguration: "
                     "innermost-overlap-layer="
                  << buf << "!" << std::endl;
        _isValid = false;
        exit(EXIT_FAILURE);
      }
      _innerOverlap = (unsigned int)buf;
      tarch::configuration::ParseConfiguration::readIntMandatory(buf, node, "outermost-overlap-layer");
      if (((unsigned int)buf > _innerOverlap) || (buf <= 0)) {
        std::cout << "ERROR coupling::MomentumInsertionConfiguration: "
                     "outermost-overlap-layer="
                  << buf << "!" << std::endl;
        _isValid = false;
        exit(EXIT_FAILURE);
      }
      _outerOverlap = (unsigned int)buf;
    }
  }

  std::string getTag() const { return "momentum-insertion"; }

  bool isValid() const { return _isValid; }

  const MomentumInsertionType& getMomentumInsertionType() const { return _insertionType; }

  unsigned int getInnerOverlap() const { return _innerOverlap; }

  template <class LinkedCell, unsigned int dim>
  MomentumInsertion<LinkedCell, dim>* interpreteConfiguration(coupling::interface::MDSolverInterface<LinkedCell, dim>* const mdSolverInterface,
                                                              const coupling::datastructures::CouplingCellWithLinkedCells<LinkedCell, dim>* const couplingCells,
                                                              unsigned int numberMDTimestepsPerCouplingCycle) const {
    if (_insertionType == ADDITIVE_MOMENTUM_INSERTION) {
      return new coupling::AdditiveMomentumInsertion<LinkedCell, dim>(mdSolverInterface, numberMDTimestepsPerCouplingCycle);
    } else if (_insertionType == DIRECT_VELOCITY_INSERTION) {
      return new coupling::SetGivenVelocity4MomentumInsertion<LinkedCell, dim>(mdSolverInterface);
    } else if (_insertionType == VELOCITY_GRADIENT_RELAXATION) {
      return new coupling::VelocityGradientRelaxation<LinkedCell, dim>(_velocityRelaxationFactor, mdSolverInterface, couplingCells);
    } else if (_insertionType == NO_INSERTION) {
      return new coupling::NoMomentumInsertion<LinkedCell, dim>(mdSolverInterface);
    } else if (_insertionType == VELOCITY_GRADIENT_RELAXATION_TOPONLY) {
      return new coupling::VelocityGradientRelaxationTopOnly<LinkedCell, dim>(_velocityRelaxationFactor, mdSolverInterface, couplingCells);
    } else if (_insertionType == NIE_VELOCITY_IMPOSITION) {
      return new coupling::NieVelocityImposition<LinkedCell, dim>(mdSolverInterface, _outerOverlap, _innerOverlap);
    }
    return NULL;
  }
 
protected:
  MomentumInsertionConfiguration(MomentumInsertionType insertionType) : _insertionType(insertionType), _isValid(true) {}
 
private:
  MomentumInsertionType _insertionType;
  double _velocityRelaxationFactor; // required by velocity relaxation schemes
  unsigned int _innerOverlap;       // innermost layer of overlap cells (required by
                                    // nie velocity imposition)
  unsigned int _outerOverlap;       // outermost layer of overlap cells (required by
                                    // nie velocity imposition)
  bool _isValid;
};
 
#endif // _MOLECULARDYNAMICS_COUPLING_CONFIGURATIONS_MOMENTUMINSERTIONCONFIGURATION_H_