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              : #include "coupling/configurations/ParticleInsertionConfiguration.h"
       6              : 
       7              : const std::string coupling::configurations::ParticleInsertionConfiguration::INSERT_DELETE_MASS_EVERY_TIMESTEP("insert-every-timestep");
       8              : const std::string coupling::configurations::ParticleInsertionConfiguration::RSIGMA_COEFF("r_sigma");
       9              : const std::string coupling::configurations::ParticleInsertionConfiguration::MEAN_POTENTIAL_ENERGY_FACTOR("u_0-factor");
      10              : const std::string coupling::configurations::ParticleInsertionConfiguration::UOVERLAP_COEFF("u_ovlp");
      11              : const std::string coupling::configurations::ParticleInsertionConfiguration::STEPREF_COEFF("reference-stepsize");
      12              : const std::string coupling::configurations::ParticleInsertionConfiguration::ITER_MAX("maximum-number-of-iterations");
      13              : const std::string coupling::configurations::ParticleInsertionConfiguration::RESTART_MAX("maximum-number-of-restarts");
      14              : const std::string coupling::configurations::ParticleInsertionConfiguration::TOLERANCE("tolerance");
      15              : const std::string coupling::configurations::ParticleInsertionConfiguration::OFFSET_FROM_OUTER_BOUNDARY("offset-from-outer-boundary");
      16              : 
      17            4 : void coupling::configurations::ParticleInsertionConfiguration::parseSubtag(tinyxml2::XMLElement* node) {
      18            4 :   int buf = -1;
      19              : 
      20              :   // specify the type of insertion
      21            4 :   std::string thisType;
      22            4 :   tarch::configuration::ParseConfiguration::readStringMandatory(thisType, node, "type");
      23              :   // in this case, no insertion should be carried out, no more parameters need to be parsed -> thus: return
      24            4 :   if (thisType == "none") {
      25            4 :     _particleInsertionType = NO_INSERTION;
      26            4 :     return;
      27            0 :   } else if (thisType == "usher") {
      28            0 :     _particleInsertionType = USHER;
      29              :   } else {
      30            0 :     std::cout << "ERROR "
      31              :                  "coupling::configurations::ParticleInsertionConfiguration::"
      32            0 :                  "parseSubtag(): 'type' not specified!"
      33            0 :               << std::endl;
      34            0 :     exit(EXIT_FAILURE);
      35              :   }
      36              : 
      37            0 :   buf = 1;
      38            0 :   tarch::configuration::ParseConfiguration::readIntOptional(buf, node, INSERT_DELETE_MASS_EVERY_TIMESTEP);
      39            0 :   if (buf <= 0) {
      40            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      41            0 :     std::cout << "parseSubtag(): " << INSERT_DELETE_MASS_EVERY_TIMESTEP << " smaller than or equal zero!" << std::endl;
      42            0 :     exit(EXIT_FAILURE);
      43              :   } else {
      44            0 :     _insertDeleteMassEveryTimestep = (unsigned int)buf;
      45              :   }
      46              : 
      47            0 :   _rSigmaCoeff = 0.9;
      48            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_rSigmaCoeff, node, RSIGMA_COEFF);
      49            0 :   if (_rSigmaCoeff <= 0.0) {
      50            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      51            0 :     std::cout << "parseSubtag(): " << RSIGMA_COEFF << " smaller than or equal zero!" << std::endl;
      52            0 :     exit(EXIT_FAILURE);
      53              :   }
      54              : 
      55            0 :   _meanPotentialEnergyFactor = 1.0;
      56            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_meanPotentialEnergyFactor, node, MEAN_POTENTIAL_ENERGY_FACTOR);
      57            0 :   if (_meanPotentialEnergyFactor <= 0.0) {
      58            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      59            0 :     std::cout << "parseSubtag(): " << MEAN_POTENTIAL_ENERGY_FACTOR << " smaller than or equal zero!" << std::endl;
      60            0 :     exit(EXIT_FAILURE);
      61              :   }
      62              : 
      63              :   // default setting of last commit
      64            0 :   _tolerance = _meanPotentialEnergyFactor * 2.0;
      65            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_tolerance, node, TOLERANCE);
      66            0 :   if (_tolerance <= 0.0) {
      67            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::parseSubtag(): " << TOLERANCE << " is smaller than or equal zero!"
      68            0 :               << std::endl;
      69            0 :     exit(EXIT_FAILURE);
      70              :   }
      71              : 
      72            0 :   _uOverlapCoeff = 10000.0;
      73            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_uOverlapCoeff, node, UOVERLAP_COEFF);
      74            0 :   if (_uOverlapCoeff <= 0.0) {
      75            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      76            0 :     std::cout << "parseSubtag(): " << UOVERLAP_COEFF << " smaller than or equal zero!" << std::endl;
      77            0 :     exit(EXIT_FAILURE);
      78              :   }
      79              : 
      80              :   // if not defined, choose optimal ref. step strategy (see usher-paper)
      81            0 :   _stepRefCoeff = -1.0;
      82            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_stepRefCoeff, node, STEPREF_COEFF);
      83            0 :   if ((_stepRefCoeff != -1.0) && (_stepRefCoeff <= 0.0)) {
      84            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      85            0 :     std::cout << "parseSubtag(): " << STEPREF_COEFF << " smaller than or equal zero!" << std::endl;
      86            0 :     exit(EXIT_FAILURE);
      87              :   }
      88              : 
      89              :   // if not defined, set offset for particle insertions from outer boundary to
      90              :   // 0.0; may yield instabilities for dense fluids
      91            0 :   _offsetFromOuterBoundary = 0.0;
      92            0 :   tarch::configuration::ParseConfiguration::readDoubleOptional(_offsetFromOuterBoundary, node, OFFSET_FROM_OUTER_BOUNDARY);
      93            0 :   if (_offsetFromOuterBoundary < 0.0) {
      94            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
      95            0 :     std::cout << "parseSubtag(): " << OFFSET_FROM_OUTER_BOUNDARY << " smaller than zero!" << std::endl;
      96            0 :     exit(EXIT_FAILURE);
      97              :   }
      98              : 
      99            0 :   tarch::configuration::ParseConfiguration::readIntMandatory(buf, node, ITER_MAX);
     100            0 :   if (buf <= 0) {
     101            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
     102            0 :     std::cout << "parseSubtag(): " << ITER_MAX << " smaller than or equal zero!" << std::endl;
     103            0 :     exit(EXIT_FAILURE);
     104              :   } else {
     105            0 :     _iterMax = (unsigned int)buf;
     106              :   }
     107              : 
     108            0 :   tarch::configuration::ParseConfiguration::readIntMandatory(buf, node, RESTART_MAX);
     109            0 :   if (buf <= 0) {
     110            0 :     std::cout << "ERROR coupling::configurations::ParticleInsertionConfiguration::";
     111            0 :     std::cout << "parseSubtag(): " << RESTART_MAX << " smaller or equal zero!" << std::endl;
     112            0 :     exit(EXIT_FAILURE);
     113              :   } else {
     114            0 :     _restartMax = (unsigned int)buf;
     115              :   }
     116            4 : }
     117              : 
     118           24 : std::string coupling::configurations::ParticleInsertionConfiguration::getTag() const { return "particle-insertion"; }
     119              : 
     120            4 : bool coupling::configurations::ParticleInsertionConfiguration::isValid() const { return true; }