/* * PairCorrelationAction.cpp * * Created on: May 9, 2010 * Author: heber */ #include "Actions/AnalysisAction/PairCorrelationAction.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 AnalysisPairCorrelationAction::NAME[] = "pair-correlation"; AnalysisPairCorrelationAction::AnalysisPairCorrelationAction() : Action(NAME) {} AnalysisPairCorrelationAction::~AnalysisPairCorrelationAction() {} Action::state_ptr AnalysisPairCorrelationAction::performCall() { Dialog *dialog = UIFactory::getInstance().makeDialog(); int ranges[3] = {1, 1, 1}; double BinStart = 0.; double BinEnd = 0.; string outputname; string binoutputname; bool periodic; ofstream output; ofstream binoutput; const element *elemental1; const element *elemental2; dialog->queryElement("elements", &elemental1, MapOfActions::getInstance().getDescription("elements")); dialog->queryElement("elements", &elemental2, MapOfActions::getInstance().getDescription("elements")); 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()); PairCorrelationMap *correlationmap = NULL; if (periodic) correlationmap = PeriodicPairCorrelation(World::getInstance().getMolecules(), elemental1, elemental2, ranges); else correlationmap = PairCorrelation(World::getInstance().getMolecules(), elemental1, elemental2); //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 AnalysisPairCorrelationAction::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 AnalysisPairCorrelationAction::performRedo(Action::state_ptr _state){ return Action::failure; } bool AnalysisPairCorrelationAction::canUndo() { return false; } bool AnalysisPairCorrelationAction::shouldUndo() { return false; } const string AnalysisPairCorrelationAction::getName() { return NAME; }