| 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)  2010-2012 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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| 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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| 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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| 20 | #include "CodePatterns/MemDebug.hpp" | 
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| 21 |  | 
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| 22 | #include "CodePatterns/Log.hpp" | 
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| 23 | #include "LinkedCell/linkedcell.hpp" | 
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| 24 | #include "LinkedCell/PointCloudAdaptor.hpp" | 
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| 25 | #include "molecule.hpp" | 
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| 26 | #include "Tesselation/boundary.hpp" | 
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| 27 | #include "Tesselation/tesselation.hpp" | 
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| 28 | #include "World.hpp" | 
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| 29 |  | 
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| 30 | #include <iostream> | 
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| 31 | #include <string> | 
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| 32 |  | 
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| 33 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp" | 
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| 34 |  | 
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| 35 | using namespace MoleCuilder; | 
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| 36 |  | 
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| 37 | // and construct the stuff | 
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| 38 | #include "NonConvexEnvelopeAction.def" | 
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| 39 | #include "Action_impl_pre.hpp" | 
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| 40 | /** =========== define the function ====================== */ | 
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| 41 | Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() { | 
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| 42 | molecule * Boundary = NULL; | 
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| 43 | bool Success = false; | 
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| 44 | clock_t start,end; | 
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| 45 |  | 
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| 46 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) { | 
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| 47 | Boundary = iter->second; | 
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| 48 | class Tesselation *T = NULL; | 
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| 49 | const LinkedCell_deprecated *LCList = NULL; | 
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| 50 | LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId()); | 
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| 51 | LOG(1, "Using rolling ball of radius " << params.SphereRadius.get() << " and storing tecplot data in " << params.filename.get() << "."); | 
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| 52 | LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms."); | 
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| 53 | start = clock(); | 
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| 54 | PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name); | 
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| 55 | LCList = new LinkedCell_deprecated(cloud, params.SphereRadius.get()*2.); | 
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| 56 | Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius.get(), params.filename.get().string().c_str()); | 
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| 57 | //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.get().c_str()); | 
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| 58 | end = clock(); | 
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| 59 | LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s."); | 
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| 60 | delete(LCList); | 
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| 61 | delete(T); | 
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| 62 | } | 
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| 63 | if (Success) | 
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| 64 | return Action::success; | 
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| 65 | else | 
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| 66 | return Action::failure; | 
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| 67 | } | 
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| 68 |  | 
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| 69 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) { | 
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| 70 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get()); | 
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| 71 |  | 
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| 72 | //  string newName = state->mol->getName(); | 
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| 73 | //  state->mol->setName(state->lastName); | 
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| 74 |  | 
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| 75 | return Action::failure; | 
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| 76 | } | 
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| 77 |  | 
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| 78 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){ | 
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| 79 | // Undo and redo have to do the same for this action | 
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| 80 | return performUndo(_state); | 
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| 81 | } | 
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| 82 |  | 
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| 83 | bool TesselationNonConvexEnvelopeAction::canUndo() { | 
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| 84 | return false; | 
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| 85 | } | 
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| 86 |  | 
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| 87 | bool TesselationNonConvexEnvelopeAction::shouldUndo() { | 
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| 88 | return false; | 
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| 89 | } | 
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| 90 | /** =========== end of function ====================== */ | 
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