| [97ebf8] | 1 | /* | 
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|  | 2 | * LinearInterpolationofTrajectoriesAction.cpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: May 10, 2010 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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| [112b09] | 8 | #include "Helpers/MemDebug.hpp" | 
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|  | 9 |  | 
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| [97ebf8] | 10 | #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp" | 
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|  | 11 |  | 
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|  | 12 | #include <iostream> | 
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|  | 13 | #include <fstream> | 
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|  | 14 | #include <string> | 
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|  | 15 |  | 
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|  | 16 | using namespace std; | 
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|  | 17 |  | 
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|  | 18 | #include "UIElements/UIFactory.hpp" | 
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|  | 19 | #include "UIElements/Dialog.hpp" | 
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|  | 20 | #include "Actions/MapOfActions.hpp" | 
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|  | 21 |  | 
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|  | 22 | #include "atom.hpp" | 
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|  | 23 | #include "defs.hpp" | 
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|  | 24 | #include "log.hpp" | 
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|  | 25 | #include "molecule.hpp" | 
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|  | 26 | #include "verbose.hpp" | 
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|  | 27 | #include "World.hpp" | 
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|  | 28 |  | 
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|  | 29 | /****** MoleculeLinearInterpolationofTrajectoriesAction *****/ | 
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|  | 30 |  | 
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|  | 31 | // memento to remember the state when undoing | 
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|  | 32 |  | 
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|  | 33 | //class MoleculeLinearInterpolationofTrajectoriesState : public ActionState { | 
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|  | 34 | //public: | 
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|  | 35 | //  MoleculeLinearInterpolationofTrajectoriesState(molecule* _mol,std::string _lastName) : | 
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|  | 36 | //    mol(_mol), | 
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|  | 37 | //    lastName(_lastName) | 
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|  | 38 | //  {} | 
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|  | 39 | //  molecule* mol; | 
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|  | 40 | //  std::string lastName; | 
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|  | 41 | //}; | 
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|  | 42 |  | 
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|  | 43 | const char MoleculeLinearInterpolationofTrajectoriesAction::NAME[] = "linear-interpolate"; | 
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|  | 44 |  | 
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|  | 45 | MoleculeLinearInterpolationofTrajectoriesAction::MoleculeLinearInterpolationofTrajectoriesAction() : | 
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|  | 46 | Action(NAME) | 
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|  | 47 | {} | 
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|  | 48 |  | 
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|  | 49 | MoleculeLinearInterpolationofTrajectoriesAction::~MoleculeLinearInterpolationofTrajectoriesAction() | 
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|  | 50 | {} | 
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|  | 51 |  | 
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|  | 52 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performCall() { | 
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|  | 53 | string filename; | 
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|  | 54 | Dialog *dialog = UIFactory::getInstance().makeDialog(); | 
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|  | 55 | molecule *mol = NULL; | 
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|  | 56 | int start = -1; | 
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|  | 57 | int end = -1; | 
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|  | 58 | bool IdMapping = true; | 
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|  | 59 |  | 
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|  | 60 |  | 
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|  | 61 | dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME)); | 
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| [a02462] | 62 | dialog->queryInt("start-step", &start, MapOfActions::getInstance().getDescription("start-step")); | 
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|  | 63 | dialog->queryInt("end-step", &end, MapOfActions::getInstance().getDescription("end-step")); | 
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| [97ebf8] | 64 | dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id")); | 
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|  | 65 | dialog->queryBoolean("id-mapping", &IdMapping, MapOfActions::getInstance().getDescription("id-mapping")); | 
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|  | 66 |  | 
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|  | 67 | if(dialog->display()) { | 
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|  | 68 | DoLog(1) && (Log() << Verbose(1) << "Linear interpolation between configuration " << start << " and " << end << "." << endl); | 
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|  | 69 | if (IdMapping) | 
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|  | 70 | DoLog(1) && (Log() << Verbose(1) << "Using Identity for the permutation map." << endl); | 
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| [35b698] | 71 | if (!mol->LinearInterpolationBetweenConfiguration(start, end, filename, *(World::getInstance().getConfig()), IdMapping)) | 
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|  | 72 | DoLog(2) && (Log() << Verbose(2) << "Could not store " << filename << " files." << endl); | 
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| [97ebf8] | 73 | else | 
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|  | 74 | DoLog(2) && (Log() << Verbose(2) << "Steps created and " << filename << " files stored." << endl); | 
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|  | 75 | delete dialog; | 
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|  | 76 | return Action::success; | 
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|  | 77 | } | 
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|  | 78 | delete dialog; | 
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|  | 79 | return Action::failure; | 
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|  | 80 | } | 
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|  | 81 |  | 
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|  | 82 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performUndo(Action::state_ptr _state) { | 
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|  | 83 | //  MoleculeLinearInterpolationofTrajectoriesState *state = assert_cast<MoleculeLinearInterpolationofTrajectoriesState*>(_state.get()); | 
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|  | 84 |  | 
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|  | 85 | //  string newName = state->mol->getName(); | 
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|  | 86 | //  state->mol->setName(state->lastName); | 
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|  | 87 |  | 
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|  | 88 | return Action::failure; | 
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|  | 89 | } | 
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|  | 90 |  | 
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|  | 91 | Action::state_ptr MoleculeLinearInterpolationofTrajectoriesAction::performRedo(Action::state_ptr _state){ | 
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|  | 92 | // Undo and redo have to do the same for this action | 
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|  | 93 | return performUndo(_state); | 
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|  | 94 | } | 
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|  | 95 |  | 
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|  | 96 | bool MoleculeLinearInterpolationofTrajectoriesAction::canUndo() { | 
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|  | 97 | return false; | 
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|  | 98 | } | 
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|  | 99 |  | 
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|  | 100 | bool MoleculeLinearInterpolationofTrajectoriesAction::shouldUndo() { | 
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|  | 101 | return false; | 
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|  | 102 | } | 
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|  | 103 |  | 
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|  | 104 | const string MoleculeLinearInterpolationofTrajectoriesAction::getName() { | 
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|  | 105 | return NAME; | 
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|  | 106 | } | 
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