| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [bcf653] | 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [112b09] | 21 |  | 
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| [ad011c] | 22 | #include "CodePatterns/Log.hpp" | 
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| [53c7fc] | 23 | #include "LinkedCell/linkedcell.hpp" | 
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|  | 24 | #include "LinkedCell/PointCloudAdaptor.hpp" | 
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| [628b52] | 25 | #include "molecule.hpp" | 
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| [53c7fc] | 26 | #include "Tesselation/boundary.hpp" | 
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| [d127c8] | 27 | #include "Tesselation/tesselation.hpp" | 
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| [628b52] | 28 | #include "World.hpp" | 
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| [97ebf8] | 29 |  | 
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|  | 30 | #include <iostream> | 
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|  | 31 | #include <string> | 
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|  | 32 |  | 
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| [1fd675] | 33 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp" | 
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| [ff4fd2a] | 34 |  | 
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| [ce7fdc] | 35 | using namespace MoleCuilder; | 
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|  | 36 |  | 
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| [1fd675] | 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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| [97ebf8] | 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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| [ff4fd2a] | 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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| [97ebf8] | 48 | class Tesselation *T = NULL; | 
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| [6bd7e0] | 49 | const LinkedCell_deprecated *LCList = NULL; | 
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| [47d041] | 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 << " and storing tecplot data in " << params.filename << "."); | 
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|  | 52 | LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms."); | 
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| [97ebf8] | 53 | start = clock(); | 
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| [caa06ef] | 54 | PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name); | 
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| [6bd7e0] | 55 | LCList = new LinkedCell_deprecated(cloud, params.SphereRadius*2.); | 
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| [e4afb4] | 56 | Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius, params.filename.string().c_str()); | 
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| [1fd675] | 57 | //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.c_str()); | 
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| [97ebf8] | 58 | end = clock(); | 
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| [47d041] | 59 | LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s."); | 
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| [97ebf8] | 60 | delete(LCList); | 
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|  | 61 | delete(T); | 
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|  | 62 | } | 
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| [ff4fd2a] | 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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| [97ebf8] | 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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| [1fd675] | 90 | /** =========== end of function ====================== */ | 
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