| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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|  | 4 | * Copyright (C)  2010 University of Bonn. All rights reserved. | 
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|  | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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|  | 6 | */ | 
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|  | 7 |  | 
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| [97ebf8] | 8 | /* | 
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|  | 9 | * NonConvexEnvelopeAction.cpp | 
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|  | 10 | * | 
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|  | 11 | *  Created on: May 10, 2010 | 
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|  | 12 | *      Author: heber | 
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|  | 13 | */ | 
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|  | 14 |  | 
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| [bf3817] | 15 | // include config.h | 
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|  | 16 | #ifdef HAVE_CONFIG_H | 
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|  | 17 | #include <config.h> | 
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|  | 18 | #endif | 
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|  | 19 |  | 
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| [112b09] | 20 | #include "Helpers/MemDebug.hpp" | 
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|  | 21 |  | 
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| [97ebf8] | 22 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp" | 
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| [0430e3] | 23 | #include "Actions/ActionRegistry.hpp" | 
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| [628b52] | 24 | #include "boundary.hpp" | 
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|  | 25 | #include "linkedcell.hpp" | 
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| [952f38] | 26 | #include "Helpers/Log.hpp" | 
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| [628b52] | 27 | #include "molecule.hpp" | 
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| [88b400] | 28 | #include "tesselation.hpp" | 
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| [952f38] | 29 | #include "Helpers/Verbose.hpp" | 
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| [628b52] | 30 | #include "World.hpp" | 
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| [97ebf8] | 31 |  | 
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|  | 32 | #include <iostream> | 
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|  | 33 | #include <string> | 
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|  | 34 |  | 
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|  | 35 | using namespace std; | 
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|  | 36 |  | 
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|  | 37 | #include "UIElements/UIFactory.hpp" | 
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|  | 38 | #include "UIElements/Dialog.hpp" | 
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| [861874] | 39 | #include "Actions/ValueStorage.hpp" | 
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| [97ebf8] | 40 |  | 
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|  | 41 | /****** TesselationNonConvexEnvelopeAction *****/ | 
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|  | 42 |  | 
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|  | 43 | // memento to remember the state when undoing | 
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|  | 44 |  | 
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|  | 45 | //class TesselationNonConvexEnvelopeState : public ActionState { | 
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|  | 46 | //public: | 
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|  | 47 | //  TesselationNonConvexEnvelopeState(molecule* _mol,std::string _lastName) : | 
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|  | 48 | //    mol(_mol), | 
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|  | 49 | //    lastName(_lastName) | 
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|  | 50 | //  {} | 
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|  | 51 | //  molecule* mol; | 
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|  | 52 | //  std::string lastName; | 
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|  | 53 | //}; | 
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|  | 54 |  | 
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|  | 55 | const char TesselationNonConvexEnvelopeAction::NAME[] = "nonconvex-envelope"; | 
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|  | 56 |  | 
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|  | 57 | TesselationNonConvexEnvelopeAction::TesselationNonConvexEnvelopeAction() : | 
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|  | 58 | Action(NAME) | 
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|  | 59 | {} | 
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|  | 60 |  | 
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|  | 61 | TesselationNonConvexEnvelopeAction::~TesselationNonConvexEnvelopeAction() | 
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|  | 62 | {} | 
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|  | 63 |  | 
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| [628b52] | 64 | void TesselationNonConvexEnvelope(double radius, std::string &filename) { | 
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|  | 65 | ValueStorage::getInstance().setCurrentValue(TesselationNonConvexEnvelopeAction::NAME, radius); | 
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|  | 66 | ValueStorage::getInstance().setCurrentValue("nonconvex-file", filename); | 
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|  | 67 | ActionRegistry::getInstance().getActionByName(TesselationNonConvexEnvelopeAction::NAME)->call(Action::NonInteractive); | 
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|  | 68 | }; | 
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|  | 69 |  | 
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| [047878] | 70 | Dialog* TesselationNonConvexEnvelopeAction::fillDialog(Dialog *dialog) { | 
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|  | 71 | ASSERT(dialog,"No Dialog given when filling action dialog"); | 
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| [ff4fd2a] | 72 |  | 
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| [c89fb4] | 73 | dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME)); | 
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|  | 74 | dialog->queryString("nonconvex-file", ValueStorage::getInstance().getDescription("nonconvex-file")); | 
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| [ff4fd2a] | 75 |  | 
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|  | 76 | return dialog; | 
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|  | 77 | } | 
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|  | 78 |  | 
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| [97ebf8] | 79 | Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() { | 
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|  | 80 | string filename; | 
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|  | 81 | molecule * Boundary = NULL; | 
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|  | 82 | double SphereRadius = 0; | 
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|  | 83 | bool Success = false; | 
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|  | 84 | clock_t start,end; | 
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|  | 85 |  | 
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| [1d9b7d2] | 86 | ValueStorage::getInstance().queryCurrentValue(NAME, SphereRadius); | 
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| [ff4fd2a] | 87 | ValueStorage::getInstance().queryCurrentValue("nonconvex-file", filename); | 
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| [97ebf8] | 88 |  | 
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| [ff4fd2a] | 89 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { | 
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|  | 90 | Boundary = iter->second; | 
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| [97ebf8] | 91 | class Tesselation *T = NULL; | 
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|  | 92 | const LinkedCell *LCList = NULL; | 
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|  | 93 | DoLog(0) && (Log() << Verbose(0) << "Evaluating non-convex envelope of molecule." << Boundary->getId() << endl); | 
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|  | 94 | DoLog(1) && (Log() << Verbose(1) << "Using rolling ball of radius " << SphereRadius << " and storing tecplot data in " << filename << "." << endl); | 
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| [1024cb] | 95 | DoLog(1) && (Log() << Verbose(1) << "Specified molecule has " << Boundary->getAtomCount() << " atoms." << endl); | 
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| [97ebf8] | 96 | start = clock(); | 
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|  | 97 | LCList = new LinkedCell(Boundary, SphereRadius*2.); | 
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|  | 98 | Success = FindNonConvexBorder(Boundary, T, LCList, SphereRadius, filename.c_str()); | 
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|  | 99 | //FindDistributionOfEllipsoids(T, &LCList, N, number, filename.c_str()); | 
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|  | 100 | end = clock(); | 
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|  | 101 | DoLog(0) && (Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl); | 
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|  | 102 | delete(LCList); | 
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|  | 103 | delete(T); | 
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|  | 104 | } | 
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| [ff4fd2a] | 105 | if (Success) | 
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|  | 106 | return Action::success; | 
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|  | 107 | else | 
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|  | 108 | return Action::failure; | 
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| [97ebf8] | 109 | } | 
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|  | 110 |  | 
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|  | 111 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) { | 
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|  | 112 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get()); | 
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|  | 113 |  | 
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|  | 114 | //  string newName = state->mol->getName(); | 
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|  | 115 | //  state->mol->setName(state->lastName); | 
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|  | 116 |  | 
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|  | 117 | return Action::failure; | 
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|  | 118 | } | 
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|  | 119 |  | 
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|  | 120 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){ | 
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|  | 121 | // Undo and redo have to do the same for this action | 
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|  | 122 | return performUndo(_state); | 
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|  | 123 | } | 
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|  | 124 |  | 
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|  | 125 | bool TesselationNonConvexEnvelopeAction::canUndo() { | 
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|  | 126 | return false; | 
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|  | 127 | } | 
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|  | 128 |  | 
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|  | 129 | bool TesselationNonConvexEnvelopeAction::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 TesselationNonConvexEnvelopeAction::getName() { | 
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|  | 134 | return NAME; | 
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|  | 135 | } | 
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