| [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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| [94d5ac6] | 5 |  * 
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 | 6 |  *
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 | 7 |  *   This file is part of MoleCuilder.
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 | 8 |  *
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 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 10 |  *    it under the terms of the GNU General Public License as published by
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 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 12 |  *    (at your option) any later version.
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 | 13 |  *
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 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 17 |  *    GNU General Public License for more details.
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 | 18 |  *
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 | 19 |  *    You should have received a copy of the GNU General Public License
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 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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| [bcf653] | 21 |  */
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 | 22 | 
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| [97ebf8] | 23 | /*
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 | 24 |  * NonConvexEnvelopeAction.cpp
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 | 25 |  *
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 | 26 |  *  Created on: May 10, 2010
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 | 27 |  *      Author: heber
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 | 28 |  */
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 | 29 | 
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| [bf3817] | 30 | // include config.h
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 | 31 | #ifdef HAVE_CONFIG_H
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 | 32 | #include <config.h>
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 | 33 | #endif
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 | 34 | 
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| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
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| [112b09] | 36 | 
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| [ad011c] | 37 | #include "CodePatterns/Log.hpp"
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| [53c7fc] | 38 | #include "LinkedCell/linkedcell.hpp"
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 | 39 | #include "LinkedCell/PointCloudAdaptor.hpp"
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| [628b52] | 40 | #include "molecule.hpp"
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| [53c7fc] | 41 | #include "Tesselation/boundary.hpp"
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| [d127c8] | 42 | #include "Tesselation/tesselation.hpp"
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| [628b52] | 43 | #include "World.hpp"
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| [97ebf8] | 44 | 
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 | 45 | #include <iostream>
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 | 46 | #include <string>
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 | 47 | 
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| [1fd675] | 48 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
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| [ff4fd2a] | 49 | 
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| [ce7fdc] | 50 | using namespace MoleCuilder;
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 | 51 | 
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| [1fd675] | 52 | // and construct the stuff
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 | 53 | #include "NonConvexEnvelopeAction.def"
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 | 54 | #include "Action_impl_pre.hpp"
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 | 55 | /** =========== define the function ====================== */
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| [b5b01e] | 56 | ActionState::ptr TesselationNonConvexEnvelopeAction::performCall() {
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| [97ebf8] | 57 |   molecule * Boundary = NULL;
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 | 58 |   bool Success = false;
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 | 59 |   clock_t start,end;
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 | 60 | 
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| [ff4fd2a] | 61 |   for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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 | 62 |     Boundary = iter->second;
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| [97ebf8] | 63 |     class Tesselation *T = NULL;
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| [6bd7e0] | 64 |     const LinkedCell_deprecated *LCList = NULL;
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| [47d041] | 65 |     LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId());
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| [f10b0c] | 66 |     LOG(1, "Using rolling ball of radius " << params.SphereRadius.get() << " and storing tecplot data in " << params.filename.get() << ".");
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| [47d041] | 67 |     LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms.");
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| [97ebf8] | 68 |     start = clock();
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| [caa06ef] | 69 |     PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name);
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| [f10b0c] | 70 |     LCList = new LinkedCell_deprecated(cloud, params.SphereRadius.get()*2.);
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 | 71 |     Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius.get(), params.filename.get().string().c_str());
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 | 72 |     //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.get().c_str());
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| [97ebf8] | 73 |     end = clock();
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| [47d041] | 74 |     LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s.");
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| [97ebf8] | 75 |     delete(LCList);
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 | 76 |     delete(T);
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 | 77 |   }
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| [ff4fd2a] | 78 |   if (Success)
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 | 79 |     return Action::success;
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 | 80 |   else
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 | 81 |     return Action::failure;
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| [97ebf8] | 82 | }
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 | 83 | 
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| [b5b01e] | 84 | ActionState::ptr TesselationNonConvexEnvelopeAction::performUndo(ActionState::ptr _state) {
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| [97ebf8] | 85 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
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 | 86 | 
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 | 87 | //  string newName = state->mol->getName();
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 | 88 | //  state->mol->setName(state->lastName);
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 | 89 | 
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| [26b4d62] | 90 |   STATUS("Undo of TesselationNonConvexEnvelopeAction not implemented.");
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| [97ebf8] | 91 |   return Action::failure;
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 | 92 | }
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 | 93 | 
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| [b5b01e] | 94 | ActionState::ptr TesselationNonConvexEnvelopeAction::performRedo(ActionState::ptr _state){
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| [97ebf8] | 95 |   // Undo and redo have to do the same for this action
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 | 96 |   return performUndo(_state);
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 | 97 | }
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 | 98 | 
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 | 99 | bool TesselationNonConvexEnvelopeAction::canUndo() {
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 | 100 |   return false;
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 | 101 | }
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 | 102 | 
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 | 103 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
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 | 104 |   return false;
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 | 105 | }
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| [1fd675] | 106 | /** =========== end of function ====================== */
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