[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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[9eb71b3] | 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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