void Statistics::calculateStatistics(ParticleContainer& container, int iteration) {
int frequency = 2000;
// if ((iteration + 50) % frequency == 0) {
// _saveX = true;
// container.traverseParticles(*this);
// LOG4CXX_DEBUG(logger, "Saved oldX at iteration "<< iteration);
// }
if ((iteration + 25) % frequency == 0) {
// _saveX = false;
// _diffusionFactor = 0;
// container.traverseParticles(*this);
// LOG4CXX_DEBUG(logger, "calculated diffusion of " << _diffusionFactor << " at iteration " << iteration);
_saveX = true;
// reset x
container.traverseParticles(*this);
LOG4CXX_DEBUG(logger, "Saved oldX at iteration "<< iteration);
}
//if ((iteration + 1) % frequency == 0) {
// // reset counter and count particle pair distances
// for (int i = 0; i < _numIntervalls; i++) {
// _distanceCount[i] = 0;
// }
//container.traversePairs(*this);
//}
if (iteration == 1 || iteration % frequency == 0) {
_saveX = false;
container.traverseParticles(*this);
_diffusionFactor = _diffusionFactor / container.getNumParticles();
// reset counter and count particle pair distances
for (int i = 0; i < _numIntervalls; i++) {
_distanceCount[i] = 0;
}
// count particlePairDistances
container.traversePairs(*this);
writeFile(iteration);
}
}
double EnergyCalculator::calculateEnergy(ParticleContainer& container) {
_energy = 0;
container.traverseParticles(*this);
return _energy;
}
void VTKWriter::writeOutput(ParticleContainer& container, const std::string& filename, int iteration) {
initializeOutput(container.getNumParticles());
container.traverseParticles(*this);
writeFile(filename, iteration);
}