/* * PairCorrelationToPointAction.cpp * * Created on: May 9, 2010 * Author: heber */ #include "Helpers/MemDebug.hpp" #include "Actions/AnalysisAction/PairCorrelationToPointAction.hpp" #include "CommandLineParser.hpp" #include "analysis_correlation.hpp" #include "log.hpp" #include "element.hpp" #include "periodentafel.hpp" #include "World.hpp" #include #include using namespace std; #include "UIElements/UIFactory.hpp" #include "UIElements/Dialog.hpp" #include "Actions/MapOfActions.hpp" const char AnalysisPairCorrelationToPointAction::NAME[] = "pair-correlation-point"; AnalysisPairCorrelationToPointAction::AnalysisPairCorrelationToPointAction() : Action(NAME) {} AnalysisPairCorrelationToPointAction::~AnalysisPairCorrelationToPointAction() {} Action::state_ptr AnalysisPairCorrelationToPointAction::performCall() { Dialog *dialog = UIFactory::getInstance().makeDialog(); int ranges[3] = {1, 1, 1}; Vector position; double BinStart = 0.; double BinEnd = 0.; string outputname; string binoutputname; bool periodic; ofstream output; ofstream binoutput; const element *elemental; dialog->queryElement("elements", &elemental, MapOfActions::getInstance().getDescription("element")); dialog->queryVector("position", &position, World::getInstance().getDomain(), true, MapOfActions::getInstance().getDescription("position")); dialog->queryDouble("bin-start", &BinStart, MapOfActions::getInstance().getDescription("bin-start")); dialog->queryDouble("bin-end", &BinEnd, MapOfActions::getInstance().getDescription("bin-end")); dialog->queryString("output-file", &outputname, MapOfActions::getInstance().getDescription("output-file")); dialog->queryString("bin-output-file", &binoutputname, MapOfActions::getInstance().getDescription("bin-output-file")); dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic")); if(dialog->display()) { output.open(outputname.c_str()); binoutput.open(binoutputname.c_str()); const Vector Point = position; CorrelationToPointMap *correlationmap = NULL; if (periodic) correlationmap = PeriodicCorrelationToPoint(World::getInstance().getMolecules(), elemental, &Point, ranges); else correlationmap = CorrelationToPoint(World::getInstance().getMolecules(), elemental, &Point); //OutputCorrelationToSurface(&output, correlationmap); BinPairMap *binmap = BinData( correlationmap, 0.5, BinStart, BinEnd ); OutputCorrelation ( &binoutput, binmap ); output.close(); binoutput.close(); delete(binmap); delete(correlationmap); delete dialog; return Action::success; } else { delete dialog; return Action::failure; } } Action::state_ptr AnalysisPairCorrelationToPointAction::performUndo(Action::state_ptr _state) { // ParserLoadXyzState *state = assert_cast(_state.get()); return Action::failure; // string newName = state->mol->getName(); // state->mol->setName(state->lastName); // // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName)); } Action::state_ptr AnalysisPairCorrelationToPointAction::performRedo(Action::state_ptr _state){ return Action::failure; } bool AnalysisPairCorrelationToPointAction::canUndo() { return false; } bool AnalysisPairCorrelationToPointAction::shouldUndo() { return false; } const string AnalysisPairCorrelationToPointAction::getName() { return NAME; }