| 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 "Parser/XyzParser.hpp"
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| 14 | 
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| 15 | #include <iostream>
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| 16 | #include <set>
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| 17 | #include <string>
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| 18 | #include <vector>
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| 19 | 
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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 | #include "atom.hpp"
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| 26 | #include "log.hpp"
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| 27 | #include "molecule.hpp"
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| 28 | #include "verbose.hpp"
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| 29 | #include "World.hpp"
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| 30 | 
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| 31 | /****** ParserLoadXyzAction *****/
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| 32 | 
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| 33 | //// memento to remember the state when undoing
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| 34 | //
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| 35 | //class ParserLoadXyzState : public ActionState {
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| 36 | //public:
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| 37 | //  ParserLoadXyzState(molecule* _mol,std::string _lastName) :
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| 38 | //    mol(_mol),
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| 39 | //    lastName(_lastName)
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| 40 | //  {}
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| 41 | //  molecule* mol;
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| 42 | //  std::string lastName;
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| 43 | //};
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| 44 | 
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| 45 | const char ParserLoadXyzAction::NAME[] = "parse-xyz";
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| 46 | 
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| 47 | ParserLoadXyzAction::ParserLoadXyzAction() :
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| 48 |   Action(NAME)
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| 49 | {}
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| 50 | 
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| 51 | ParserLoadXyzAction::~ParserLoadXyzAction()
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| 52 | {}
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| 53 | 
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| 54 | Action::state_ptr ParserLoadXyzAction::performCall() {
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| 55 |   string filename;
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| 56 |   Dialog *dialog = UIFactory::getInstance().makeDialog();
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| 57 | 
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| 58 |   dialog->queryString(NAME,&filename, NAME);
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| 59 | 
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| 60 |   if(dialog->display()) {
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| 61 |     DoLog(1) && (Log() << Verbose(1) << "Parsing xyz file for new atoms." << endl);
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| 62 |     // parse xyz file
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| 63 |     ifstream input;
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| 64 |     input.open(filename.c_str());
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| 65 |     if (!input.fail()) {
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| 66 |       // TODO: Remove the insertion into molecule when saving does not depend on them anymore. Also, remove molecule.hpp include
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| 67 |       set <atom*> UniqueList;
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| 68 |       {
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| 69 |         vector<atom *> ListBefore = World::getInstance().getAllAtoms();
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| 70 |         for (vector<atom *>::iterator runner = ListBefore.begin();runner != ListBefore.end(); ++runner)
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| 71 |           UniqueList.insert(*runner);
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| 72 |       }
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| 73 |       XyzParser parser; // briefly instantiate a parser which is removed at end of focus
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| 74 |       parser.load(&input);
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| 75 |       {
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| 76 |         vector<atom *> ListAfter = World::getInstance().getAllAtoms();
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| 77 |         pair< set<atom *>::iterator, bool > Inserter;
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| 78 |         if (UniqueList.size() != ListAfter.size()) { // only create if new atoms have been parsed
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| 79 |           MoleculeListClass *molecules = World::getInstance().getMolecules();
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| 80 |           molecule *mol= NULL;
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| 81 |           if (molecules->ListOfMolecules.empty()) {
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| 82 |             mol = World::getInstance().createMolecule();
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| 83 |             molecules->insert(mol);
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| 84 |           } else {
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| 85 |             mol = *(molecules->ListOfMolecules.begin());
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| 86 |           }
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| 87 |           for (vector<atom *>::iterator runner = ListAfter.begin(); runner != ListAfter.end(); ++runner) {
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| 88 |             Inserter = UniqueList.insert(*runner);
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| 89 |             if (Inserter.second) { // if not present, then new (just parsed) atom, add ...
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| 90 |               cout << "Adding new atom " << **runner << " to new mol." << endl;
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| 91 |               mol->AddAtom(*runner);
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| 92 |             }
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| 93 |           }
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| 94 |           mol->doCountAtoms();
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| 95 |         } else {
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| 96 |           cout << "No atoms parsed?" << endl;
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| 97 |         }
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| 98 |       }
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| 99 |     } else {
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| 100 |       DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << filename << "." << endl);
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| 101 |     }
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| 102 |     input.close();
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| 103 |   }
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| 104 |   delete dialog;
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| 105 |   return Action::failure;
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| 106 | }
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| 107 | 
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| 108 | Action::state_ptr ParserLoadXyzAction::performUndo(Action::state_ptr _state) {
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| 109 | //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
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| 110 | 
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| 111 |   return Action::failure;
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| 112 | //  string newName = state->mol->getName();
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| 113 | //  state->mol->setName(state->lastName);
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| 114 | //
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| 115 | //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
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| 116 | }
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| 117 | 
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| 118 | Action::state_ptr ParserLoadXyzAction::performRedo(Action::state_ptr _state){
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| 119 |   return Action::failure;
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| 120 | }
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| 121 | 
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| 122 | bool ParserLoadXyzAction::canUndo() {
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| 123 |   return false;
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| 124 | }
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| 125 | 
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| 126 | bool ParserLoadXyzAction::shouldUndo() {
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| 127 |   return false;
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| 128 | }
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| 129 | 
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| 130 | const string ParserLoadXyzAction::getName() {
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| 131 |   return NAME;
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| 132 | }
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