Commit e1e09d43 authored by Marco Drache's avatar Marco Drache
Browse files

feature: expanded export of polymer products

parent d0a2af07

include/SimulationController.h

+1 −1
Original line number Diff line number Diff line
@@ -70,8 +70,8 @@ public: 
	void initConcentrationNumMoleculesExport() const;

	void initReactionsCountExport() const;

	void exportConcentrationNumMolecules(double _reactionTime) const;



	void exportReactionsCount(double _reactionTime) const;

	void exportPolymers(std::string _prefixFilename, double _reactionTime, bool _binaryExport, bool _writeHeader);

	

protected:

	void exportComplete(time_t _timerStart, TerminationConditions _terminationConditions) const;

src/SimulationController.cpp

+18 −0
Original line number Diff line number Diff line
@@ -443,5 +443,23 @@ double SimulationController::getVolume() { 
void SimulationController::updateSolidsContent(double _solidsContent) {

	currentState->setSolidsContent(_solidsContent);

}

void SimulationController::exportPolymers(std::string _prefixFilename, double _reactionTime, bool _binaryExport, bool _writeHeader) {

	for (const auto& species : currentModel->getSpecies()) {

		if (species.isPolymer) {

			if (_binaryExport) {

				kMC->exportPolymerSpecies(species.id, simulationParameter.outputdir + "/" + _prefixFilename + species.name + "." + to_string(_reactionTime), FileTypePolymerSpecies::Binary, currentModel);

			}

			else {

				kMC->exportPolymerSpecies(species.id, simulationParameter.outputdir + "/" + _prefixFilename + species.name + "." + to_string(_reactionTime), FileTypePolymerSpecies::CLD, currentModel);

			}

		}

	}

	if (_binaryExport) {

		kMC->exportPolymersBinary(simulationParameter.outputdir + "/" + _prefixFilename + "Polymers." + to_string(_reactionTime), currentModel, 0, _writeHeader);

	}

	else {

		kMC->exportPolymersCLD(simulationParameter.outputdir + "/" + "Polymers." + to_string(_reactionTime), currentModel);

	}

}

} // namespace