| 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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| 8 | #include "Helpers/MemDebug.hpp" | 
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| 9 |  | 
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| 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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| 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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| 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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| 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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| 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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