1 | /*
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2 | * PairCorrelationAction.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 "Helpers/MemDebug.hpp"
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9 |
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10 | #include "Actions/AnalysisAction/PairCorrelationAction.hpp"
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11 | #include "Actions/ActionRegistry.hpp"
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12 | #include "analysis_correlation.hpp"
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13 | #include "boundary.hpp"
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14 | #include "linkedcell.hpp"
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15 | #include "verbose.hpp"
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16 | #include "log.hpp"
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17 | #include "element.hpp"
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18 | #include "molecule.hpp"
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19 | #include "periodentafel.hpp"
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20 | #include "vector.hpp"
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21 | #include "World.hpp"
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22 |
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23 | #include <iostream>
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24 | #include <string>
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25 |
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26 | using namespace std;
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27 |
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28 | #include "UIElements/UIFactory.hpp"
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29 | #include "UIElements/Dialog.hpp"
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30 | #include "UIElements/ValueStorage.hpp"
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31 |
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32 | const char AnalysisPairCorrelationAction::NAME[] = "pair-correlation";
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33 |
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34 | AnalysisPairCorrelationAction::AnalysisPairCorrelationAction() :
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35 | Action(NAME)
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36 | {}
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37 |
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38 | AnalysisPairCorrelationAction::~AnalysisPairCorrelationAction()
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39 | {}
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40 |
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41 | void AnalysisPairCorrelation(std::vector< element *> &elements, double BinStart, double BinWidth, double BinEnd, string &outputname, string &binoutputname, bool periodic) {
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42 | ValueStorage::getInstance().setCurrentValue("elements", elements);
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43 | ValueStorage::getInstance().setCurrentValue("bin-start", BinStart);
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44 | ValueStorage::getInstance().setCurrentValue("bin-width", BinWidth);
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45 | ValueStorage::getInstance().setCurrentValue("bin-end", BinEnd);
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46 | ValueStorage::getInstance().setCurrentValue("output-file", outputname);
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47 | ValueStorage::getInstance().setCurrentValue("bin-output-file", binoutputname);
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48 | ValueStorage::getInstance().setCurrentValue("periodic", periodic);
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49 | ActionRegistry::getInstance().getActionByName(AnalysisPairCorrelationAction::NAME)->call(Action::NonInteractive);
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50 | };
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51 |
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52 |
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53 | Dialog* AnalysisPairCorrelationAction::fillDialog(Dialog* dialog) {
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54 | ASSERT(dialog,"No Dialog given when filling action dialog");
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55 |
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56 | dialog->queryElements("elements", ValueStorage::getInstance().getDescription("elements"));
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57 | dialog->queryDouble("bin-start", ValueStorage::getInstance().getDescription("bin-start"));
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58 | dialog->queryDouble("bin-width", ValueStorage::getInstance().getDescription("bin-width"));
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59 | dialog->queryDouble("bin-end", ValueStorage::getInstance().getDescription("bin-end"));
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60 | dialog->queryString("output-file", ValueStorage::getInstance().getDescription("output-file"));
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61 | dialog->queryString("bin-output-file", ValueStorage::getInstance().getDescription("bin-output-file"));
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62 | dialog->queryBoolean("periodic", ValueStorage::getInstance().getDescription("periodic"));
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63 |
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64 | return dialog;
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65 | }
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66 |
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67 | Action::state_ptr AnalysisPairCorrelationAction::performCall() {
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68 | int ranges[3] = {1, 1, 1};
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69 | double BinEnd = 0.;
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70 | double BinStart = 0.;
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71 | double BinWidth = 0.;
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72 | molecule *Boundary = NULL;
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73 | string outputname;
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74 | string binoutputname;
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75 | bool periodic;
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76 | ofstream output;
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77 | ofstream binoutput;
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78 | std::vector< element *> elements;
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79 | string type;
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80 | Vector Point;
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81 | BinPairMap *binmap = NULL;
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82 |
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83 | // obtain information
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84 | ValueStorage::getInstance().queryCurrentValue("elements", elements);
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85 | ValueStorage::getInstance().queryCurrentValue("bin-start", BinStart);
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86 | ValueStorage::getInstance().queryCurrentValue("bin-width", BinWidth);
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87 | ValueStorage::getInstance().queryCurrentValue("bin-end", BinEnd);
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88 | ValueStorage::getInstance().queryCurrentValue("output-file", outputname);
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89 | ValueStorage::getInstance().queryCurrentValue("bin-output-file", binoutputname);
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90 | ValueStorage::getInstance().queryCurrentValue("periodic", periodic);
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91 |
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92 | // execute action
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93 | output.open(outputname.c_str());
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94 | binoutput.open(binoutputname.c_str());
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95 | PairCorrelationMap *correlationmap = NULL;
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96 | std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
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97 | if (periodic)
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98 | correlationmap = PeriodicPairCorrelation(molecules, elements, ranges);
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99 | else
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100 | correlationmap = PairCorrelation(molecules, elements);
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101 | OutputPairCorrelation(&output, correlationmap);
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102 | binmap = BinData( correlationmap, BinWidth, BinStart, BinEnd );
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103 | OutputCorrelation ( &binoutput, binmap );
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104 | delete(binmap);
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105 | delete(correlationmap);
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106 | output.close();
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107 | binoutput.close();
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108 | return Action::success;
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109 | }
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110 |
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111 | Action::state_ptr AnalysisPairCorrelationAction::performUndo(Action::state_ptr _state) {
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112 | return Action::success;
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113 | }
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114 |
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115 | Action::state_ptr AnalysisPairCorrelationAction::performRedo(Action::state_ptr _state){
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116 | return Action::success;
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117 | }
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118 |
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119 | bool AnalysisPairCorrelationAction::canUndo() {
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120 | return true;
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121 | }
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122 |
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123 | bool AnalysisPairCorrelationAction::shouldUndo() {
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124 | return true;
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125 | }
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126 |
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127 | const string AnalysisPairCorrelationAction::getName() {
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128 | return NAME;
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129 | }
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