ReturnType SendCouplingMDCommand::executeProcessing()
{
logger->debug() << "starting SendCouplingMDCommand::executeProcessing" << std::endl;
CouplingInformationType* couplingInfo = (CouplingInformationType*) this->getData(0);
Simulation* theSim = (Simulation*) this->getData(1);
ParticleContainer* moleculeContainer = theSim->getMolecules();
if (transferContainer == NULL)
{
transferContainer = new std::vector<Molecule>[couplingInfo->numberOfBoundaries];
}
/* int dim = borderToLook / 2;
int dir = borderToLook % 2;*/
int dim, dir;
outmin = 0;
outmax = 0;
double rmin = moleculeContainer->getBoundingBoxMin(dim);
double rmax = moleculeContainer->getBoundingBoxMax(dim);
logger->debug() << "dim is " << dim << ", dir is " << dir << std::endl;
logger->debug() << "halo is " << moleculeContainer->get_halo_L(dim) << std::endl;
Molecule* currentMolecule;
double low_limit = rmin; // particles below this limit have to be copied or moved to the lower process
double high_limit = rmax; // particles above(or equal) this limit have to be copied or moved to the higher process
currentMolecule = moleculeContainer->begin();
logger->debug() << "low_limit: " << low_limit << " / high_limit: " << high_limit << std::endl;
while(currentMolecule!=moleculeContainer->end()){
for (int i = 0; i < couplingInfo->numberOfBoundaries; i++)
{
CouplingBoundary currentBoundary = couplingInfo->boundaries[i];
//const double& rd=currentMolecule->r(dim);
const double& rd = currentMolecule->r(currentBoundary.outFlowDirection);
const double& ro1 = currentMolecule->r(currentBoundary.otherDirection[0]);
const double& ro2 = currentMolecule->r(currentBoundary.otherDirection[1]);
if ((currentBoundary.lowerHigher == 1) && (rd > high_limit) && isInBounds(ro1,ro2, ¤tBoundary))
{
outmax++;
transferContainer[i].push_back(*currentMolecule);
currentMolecule = moleculeContainer->deleteCurrent ();
break;
}
else if ((currentBoundary.lowerHigher == 0) && (rd < low_limit) && isInBounds(ro1,ro2, ¤tBoundary))
{
transferContainer[i].push_back(*currentMolecule);
currentMolecule = moleculeContainer->deleteCurrent();
outmin++;
break;
}
else
{
currentMolecule = moleculeContainer->next();
}
}
}
logger->debug() << "outmin["<< dim << "] = " << outmin << std::endl;
logger->debug() << "outmax["<< dim << "] = " << outmax << std::endl;
//logger->debug() << "there are now " << transferContainer.size() << " molecules to transfer " << std::endl;
if (getStepInterval() > 0)
{
return REPETITION_REQUESTED;
}
else
{
return EXECUTED;
}
}
