| [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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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| [112b09] | 21 | 
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| [d127c8] | 22 | #include "Tesselation/boundary.hpp"
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| [ad011c] | 23 | #include "CodePatterns/Log.hpp"
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| [34c43a] | 24 | #include "CodePatterns/Verbose.hpp"
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 | 25 | #include "linkedcell.hpp"
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| [628b52] | 26 | #include "molecule.hpp"
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| [34c43a] | 27 | #include "PointCloudAdaptor.hpp"
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| [d127c8] | 28 | #include "Tesselation/tesselation.hpp"
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| [628b52] | 29 | #include "World.hpp"
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| [97ebf8] | 30 | 
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 | 31 | #include <iostream>
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 | 32 | #include <string>
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 | 33 | 
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| [1fd675] | 34 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
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| [ff4fd2a] | 35 | 
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| [ce7fdc] | 36 | using namespace MoleCuilder;
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 | 37 | 
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| [1fd675] | 38 | // and construct the stuff
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 | 39 | #include "NonConvexEnvelopeAction.def"
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 | 40 | #include "Action_impl_pre.hpp"
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 | 41 | /** =========== define the function ====================== */
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| [97ebf8] | 42 | Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() {
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 | 43 |   molecule * Boundary = NULL;
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 | 44 |   bool Success = false;
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 | 45 |   clock_t start,end;
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 | 46 | 
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| [1fd675] | 47 |   // obtain information
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 | 48 |   getParametersfromValueStorage();
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| [97ebf8] | 49 | 
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| [ff4fd2a] | 50 |   for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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 | 51 |     Boundary = iter->second;
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| [97ebf8] | 52 |     class Tesselation *T = NULL;
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 | 53 |     const LinkedCell *LCList = NULL;
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| [47d041] | 54 |     LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId());
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 | 55 |     LOG(1, "Using rolling ball of radius " << params.SphereRadius << " and storing tecplot data in " << params.filename << ".");
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 | 56 |     LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms.");
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| [97ebf8] | 57 |     start = clock();
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| [caa06ef] | 58 |     PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name);
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| [34c43a] | 59 |     LCList = new LinkedCell(cloud, params.SphereRadius*2.);
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| [e4afb4] | 60 |     Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius, params.filename.string().c_str());
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| [1fd675] | 61 |     //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.c_str());
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| [97ebf8] | 62 |     end = clock();
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| [47d041] | 63 |     LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s.");
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| [97ebf8] | 64 |     delete(LCList);
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 | 65 |     delete(T);
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 | 66 |   }
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| [ff4fd2a] | 67 |   if (Success)
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 | 68 |     return Action::success;
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 | 69 |   else
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 | 70 |     return Action::failure;
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| [97ebf8] | 71 | }
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 | 72 | 
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 | 73 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
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 | 74 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
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 | 75 | 
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 | 76 | //  string newName = state->mol->getName();
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 | 77 | //  state->mol->setName(state->lastName);
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 | 78 | 
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 | 79 |   return Action::failure;
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 | 80 | }
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 | 81 | 
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 | 82 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
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 | 83 |   // Undo and redo have to do the same for this action
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 | 84 |   return performUndo(_state);
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 | 85 | }
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 | 86 | 
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 | 87 | bool TesselationNonConvexEnvelopeAction::canUndo() {
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 | 88 |   return false;
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 | 89 | }
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 | 90 | 
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 | 91 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
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 | 92 |   return false;
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 | 93 | }
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| [1fd675] | 94 | /** =========== end of function ====================== */
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