1 | /*
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2 | * LoadXyzAction.cpp
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3 | *
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4 | * Created on: May 8, 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 | using namespace std;
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11 |
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12 | #include "Actions/ParserAction/LoadXyzAction.hpp"
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13 | #include "Actions/ActionRegistry.hpp"
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14 | #include "Parser/XyzParser.hpp"
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15 | #include "atom.hpp"
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16 | #include "Helpers/Log.hpp"
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17 | #include "molecule.hpp"
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18 | #include "Helpers/Verbose.hpp"
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19 | #include "World.hpp"
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20 |
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21 | #include <iostream>
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22 | #include <set>
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23 | #include <string>
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24 | #include <vector>
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25 |
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26 | #include "UIElements/UIFactory.hpp"
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27 | #include "UIElements/Dialog.hpp"
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28 | #include "Actions/ValueStorage.hpp"
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29 |
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30 | /****** ParserLoadXyzAction *****/
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31 |
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32 | //// memento to remember the state when undoing
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33 | //
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34 | //class ParserLoadXyzState : public ActionState {
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35 | //public:
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36 | // ParserLoadXyzState(molecule* _mol,std::string _lastName) :
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37 | // mol(_mol),
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38 | // lastName(_lastName)
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39 | // {}
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40 | // molecule* mol;
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41 | // std::string lastName;
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42 | //};
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43 |
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44 | const char ParserLoadXyzAction::NAME[] = "parse-xyz";
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45 |
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46 | ParserLoadXyzAction::ParserLoadXyzAction() :
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47 | Action(NAME)
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48 | {}
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49 |
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50 | ParserLoadXyzAction::~ParserLoadXyzAction()
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51 | {}
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52 |
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53 | void ParserLoadXyz(std::string &filename) {
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54 | ValueStorage::getInstance().setCurrentValue(ParserLoadXyzAction::NAME, filename);
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55 | ActionRegistry::getInstance().getActionByName(ParserLoadXyzAction::NAME)->call(Action::NonInteractive);
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56 | };
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57 |
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58 | Dialog* ParserLoadXyzAction::fillDialog(Dialog *dialog) {
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59 | ASSERT(dialog,"No Dialog given when filling action dialog");
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60 |
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61 | dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
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62 |
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63 | return dialog;
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64 | }
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65 |
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66 | Action::state_ptr ParserLoadXyzAction::performCall() {
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67 | string filename;
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68 |
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69 | ValueStorage::getInstance().queryCurrentValue(NAME, filename);
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70 |
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71 | DoLog(1) && (Log() << Verbose(1) << "Parsing xyz file for new atoms." << endl);
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72 | // parse xyz file
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73 | ifstream input;
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74 | input.open(filename.c_str());
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75 | if (!input.fail()) {
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76 | // TODO: Remove the insertion into molecule when saving does not depend on them anymore. Also, remove molecule.hpp include
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77 | set <atom*> UniqueList;
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78 | {
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79 | vector<atom *> ListBefore = World::getInstance().getAllAtoms();
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80 | for (vector<atom *>::iterator runner = ListBefore.begin();runner != ListBefore.end(); ++runner)
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81 | UniqueList.insert(*runner);
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82 | }
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83 | XyzParser parser; // briefly instantiate a parser which is removed at end of focus
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84 | parser.load(&input);
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85 | {
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86 | vector<atom *> ListAfter = World::getInstance().getAllAtoms();
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87 | pair< set<atom *>::iterator, bool > Inserter;
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88 | if (UniqueList.size() != ListAfter.size()) { // only create if new atoms have been parsed
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89 | MoleculeListClass *molecules = World::getInstance().getMolecules();
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90 | molecule *mol = World::getInstance().createMolecule();
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91 | molecules->insert(mol);
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92 | for (vector<atom *>::iterator runner = ListAfter.begin(); runner != ListAfter.end(); ++runner) {
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93 | Inserter = UniqueList.insert(*runner);
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94 | if (Inserter.second) { // if not present, then new (just parsed) atom, add ...
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95 | cout << "Adding new atom " << **runner << " to new mol." << endl;
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96 | mol->AddAtom(*runner);
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97 | }
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98 | }
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99 | mol->doCountAtoms();
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100 | } else {
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101 | cout << "No atoms parsed?" << endl;
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102 | }
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103 | }
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104 | } else {
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105 | DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << filename << "." << endl);
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106 | }
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107 | input.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 ParserLoadXyzAction::performUndo(Action::state_ptr _state) {
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112 | // ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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113 |
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114 | return Action::failure;
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115 | // string newName = state->mol->getName();
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116 | // state->mol->setName(state->lastName);
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117 | //
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118 | // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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119 | }
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120 |
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121 | Action::state_ptr ParserLoadXyzAction::performRedo(Action::state_ptr _state){
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122 | return Action::failure;
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123 | }
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124 |
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125 | bool ParserLoadXyzAction::canUndo() {
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126 | return false;
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127 | }
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128 |
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129 | bool ParserLoadXyzAction::shouldUndo() {
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130 | return false;
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131 | }
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132 |
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133 | const string ParserLoadXyzAction::getName() {
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134 | return NAME;
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135 | }
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