Commit 7cc4bd3d authored by Marco Drache's avatar Marco Drache
Browse files

feature: add .csv export

parent 7e57e193

include/SimulationController.h

+1 −0
Original line number Diff line number Diff line
@@ -73,6 +73,7 @@ public: 
	void initConcentrationNumMoleculesExport() const;

	void initReactionsCountExport() const;

	void exportConcentrationNumMolecules(double _reactionTime) const;

	void exportLogToCSV(mcPolymerParameter _simulationParameter, const vector<speciesObject>& _speciesList, vector<logInformation>& _collectedLogInformations);

	void exportReactionsCount(double _reactionTime) const;

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

	void exportPolymerSegments(std::string _filename, int _speciesID, double _molPolymerSegments);

src/SimulationController.cpp

+35 −0
Original line number Diff line number Diff line
@@ -212,6 +212,40 @@ void SimulationController::amendLog(MnMw _currentMnMw) { 
void SimulationController::exportLogJSON() {

	exportLogToJSON(simulationParameter, currentModel->getSpecies(), collectedLogInformations);

}

void SimulationController::exportLogToCSV(mcPolymerParameter _simulationParameter, const vector<speciesObject>& _speciesList, vector<logInformation>& _collectedLogInformations) {

	ofstream concentration_file(_simulationParameter.modelFile_export + ".concentrations.csv", std::ios::binary);

	if (!concentration_file.is_open()) {

		cout << "error open file: " << _simulationParameter.modelFile_export + ".concentrations.csv" << endl;

		return;

	}

	ofstream numMolecules_file(_simulationParameter.modelFile_export + ".numMolecules.csv", std::ios::binary);

	if (!numMolecules_file.is_open()) {

		cout << "error open file: " << _simulationParameter.modelFile_export + ".numMolecules.csv" << endl;

		return;

	}

	concentration_file << "time";

	numMolecules_file << "time";

	for (size_t idxSpecies = 0; idxSpecies < _speciesList.size(); idxSpecies++) {

		concentration_file << ",";

		numMolecules_file << ",";

		concentration_file << _speciesList.at(idxSpecies).name;

		numMolecules_file << _speciesList.at(idxSpecies).name;

	}

	concentration_file << "\r\n";

	numMolecules_file << "\r\n";

	for (size_t idxLogRecords = 0; idxLogRecords < _collectedLogInformations.size(); idxLogRecords++) {

		concentration_file << _collectedLogInformations.at(idxLogRecords).time;

		numMolecules_file << _collectedLogInformations.at(idxLogRecords).time;

		for (size_t idxConcentration = 0; idxConcentration < _collectedLogInformations.back().concentrations.size(); idxConcentration++) {

			concentration_file << ",";

			numMolecules_file << ",";

			concentration_file << _collectedLogInformations.at(idxLogRecords).concentrations.at(idxConcentration);

			numMolecules_file << _collectedLogInformations.at(idxLogRecords).numMolecules.at(idxConcentration);

		}

		concentration_file << "\r\n";

		numMolecules_file << "\r\n";

	}

}

void SimulationController::initCurrentModel() {

	if (simulationParameter.controlVolume == 0.0) {

		currentState = new macroState(simulationParameter.temperature, simulationParameter.pressure, simulationParameter.volume, static_cast <uint64_t>(simulationParameter.numMolecules));
@@ -287,6 +321,7 @@ void SimulationController::runSimulation() { 
	if (simulationParameter.CmdlSetLogJSON) {

		exportLogJSON();

	}

	exportLogToCSV(simulationParameter, currentModel->getSpecies(), collectedLogInformations);

	exportComplete(timerStart, terminationConditions);

	randBufferInstance->setExit();

}