| [97ebf8] | 1 | /* | 
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|  | 2 | * PairCorrelationToPointAction.cpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: May 9, 2010 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | #include "Actions/AnalysisAction/PairCorrelationToPointAction.hpp" | 
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|  | 9 | #include "CommandLineParser.hpp" | 
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|  | 10 | #include "analysis_correlation.hpp" | 
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|  | 11 | #include "log.hpp" | 
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|  | 12 | #include "element.hpp" | 
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|  | 13 | #include "periodentafel.hpp" | 
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|  | 14 | #include "World.hpp" | 
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|  | 15 |  | 
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|  | 16 | #include <iostream> | 
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|  | 17 | #include <string> | 
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|  | 18 |  | 
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|  | 19 | using namespace std; | 
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|  | 20 |  | 
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|  | 21 | #include "UIElements/UIFactory.hpp" | 
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|  | 22 | #include "UIElements/Dialog.hpp" | 
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|  | 23 | #include "Actions/MapOfActions.hpp" | 
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|  | 24 |  | 
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|  | 25 | const char AnalysisPairCorrelationToPointAction::NAME[] = "pair-correlation-point"; | 
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|  | 26 |  | 
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|  | 27 | AnalysisPairCorrelationToPointAction::AnalysisPairCorrelationToPointAction() : | 
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|  | 28 | Action(NAME) | 
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|  | 29 | {} | 
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|  | 30 |  | 
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|  | 31 | AnalysisPairCorrelationToPointAction::~AnalysisPairCorrelationToPointAction() | 
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|  | 32 | {} | 
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|  | 33 |  | 
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|  | 34 | Action::state_ptr AnalysisPairCorrelationToPointAction::performCall() { | 
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|  | 35 | Dialog *dialog = UIFactory::getInstance().makeDialog(); | 
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|  | 36 | int ranges[3] = {1, 1, 1}; | 
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|  | 37 | Vector position; | 
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|  | 38 | double BinStart = 0.; | 
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|  | 39 | double BinEnd = 0.; | 
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|  | 40 | string outputname; | 
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|  | 41 | string binoutputname; | 
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|  | 42 | bool periodic; | 
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|  | 43 | ofstream output; | 
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|  | 44 | ofstream binoutput; | 
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|  | 45 | const element *elemental; | 
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|  | 46 |  | 
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|  | 47 | dialog->queryElement("elements", &elemental, MapOfActions::getInstance().getDescription("element")); | 
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|  | 48 | dialog->queryVector("position", &position, World::getInstance().getDomain(), true, MapOfActions::getInstance().getDescription("position")); | 
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|  | 49 | dialog->queryDouble("bin-start", &BinStart, MapOfActions::getInstance().getDescription("bin-start")); | 
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|  | 50 | dialog->queryDouble("bin-end", &BinEnd, MapOfActions::getInstance().getDescription("bin-end")); | 
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|  | 51 | dialog->queryString("output-file", &outputname, MapOfActions::getInstance().getDescription("output-file")); | 
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|  | 52 | dialog->queryString("bin-output-file", &binoutputname, MapOfActions::getInstance().getDescription("bin-output-file")); | 
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|  | 53 | dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic")); | 
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|  | 54 |  | 
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|  | 55 | if(dialog->display()) { | 
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|  | 56 | output.open(outputname.c_str()); | 
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|  | 57 | binoutput.open(binoutputname.c_str()); | 
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|  | 58 | const Vector Point = position; | 
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|  | 59 | CorrelationToPointMap *correlationmap = NULL; | 
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|  | 60 | if (periodic) | 
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|  | 61 | correlationmap  = PeriodicCorrelationToPoint(World::getInstance().getMolecules(), elemental, &Point, ranges); | 
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|  | 62 | else | 
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|  | 63 | correlationmap = CorrelationToPoint(World::getInstance().getMolecules(), elemental, &Point); | 
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|  | 64 | //OutputCorrelationToSurface(&output, correlationmap); | 
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|  | 65 | BinPairMap *binmap = BinData( correlationmap, 0.5, BinStart, BinEnd ); | 
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|  | 66 | OutputCorrelation ( &binoutput, binmap ); | 
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|  | 67 | output.close(); | 
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|  | 68 | binoutput.close(); | 
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|  | 69 | delete(binmap); | 
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|  | 70 | delete(correlationmap); | 
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|  | 71 | delete dialog; | 
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|  | 72 | return Action::success; | 
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|  | 73 | } else { | 
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|  | 74 | delete dialog; | 
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|  | 75 | return Action::failure; | 
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|  | 76 | } | 
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|  | 77 | } | 
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|  | 78 |  | 
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|  | 79 | Action::state_ptr AnalysisPairCorrelationToPointAction::performUndo(Action::state_ptr _state) { | 
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|  | 80 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get()); | 
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|  | 81 |  | 
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|  | 82 | return Action::failure; | 
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|  | 83 | //  string newName = state->mol->getName(); | 
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|  | 84 | //  state->mol->setName(state->lastName); | 
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|  | 85 | // | 
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|  | 86 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName)); | 
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|  | 87 | } | 
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|  | 88 |  | 
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|  | 89 | Action::state_ptr AnalysisPairCorrelationToPointAction::performRedo(Action::state_ptr _state){ | 
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|  | 90 | return Action::failure; | 
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|  | 91 | } | 
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|  | 92 |  | 
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|  | 93 | bool AnalysisPairCorrelationToPointAction::canUndo() { | 
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|  | 94 | return false; | 
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|  | 95 | } | 
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|  | 96 |  | 
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|  | 97 | bool AnalysisPairCorrelationToPointAction::shouldUndo() { | 
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|  | 98 | return false; | 
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|  | 99 | } | 
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|  | 100 |  | 
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|  | 101 | const string AnalysisPairCorrelationToPointAction::getName() { | 
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|  | 102 | return NAME; | 
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|  | 103 | } | 
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