| [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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| [112b09] | 20 | #include "Helpers/MemDebug.hpp"
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 | 21 | 
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| [628b52] | 22 | #include "boundary.hpp"
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 | 23 | #include "linkedcell.hpp"
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| [952f38] | 24 | #include "Helpers/Log.hpp"
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| [628b52] | 25 | #include "molecule.hpp"
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| [88b400] | 26 | #include "tesselation.hpp"
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| [952f38] | 27 | #include "Helpers/Verbose.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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 | 33 | using namespace std;
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 | 34 | 
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| [1fd675] | 35 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
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| [ff4fd2a] | 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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| [1fd675] | 46 |   // obtain information
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 | 47 |   getParametersfromValueStorage();
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| [97ebf8] | 48 | 
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| [ff4fd2a] | 49 |   for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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 | 50 |     Boundary = iter->second;
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| [97ebf8] | 51 |     class Tesselation *T = NULL;
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 | 52 |     const LinkedCell *LCList = NULL;
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 | 53 |     DoLog(0) && (Log() << Verbose(0) << "Evaluating non-convex envelope of molecule." << Boundary->getId() << endl);
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| [1fd675] | 54 |     DoLog(1) && (Log() << Verbose(1) << "Using rolling ball of radius " << params.SphereRadius << " and storing tecplot data in " << params.filename << "." << endl);
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| [1024cb] | 55 |     DoLog(1) && (Log() << Verbose(1) << "Specified molecule has " << Boundary->getAtomCount() << " atoms." << endl);
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| [97ebf8] | 56 |     start = clock();
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| [af2c424] | 57 |     LCList = new LinkedCell(*Boundary, params.SphereRadius*2.);
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| [e4afb4] | 58 |     Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius, params.filename.string().c_str());
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| [1fd675] | 59 |     //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.c_str());
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| [97ebf8] | 60 |     end = clock();
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 | 61 |     DoLog(0) && (Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl);
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 | 62 |     delete(LCList);
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 | 63 |     delete(T);
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 | 64 |   }
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| [ff4fd2a] | 65 |   if (Success)
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 | 66 |     return Action::success;
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 | 67 |   else
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 | 68 |     return Action::failure;
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| [97ebf8] | 69 | }
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 | 70 | 
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 | 71 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
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 | 72 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
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 | 73 | 
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 | 74 | //  string newName = state->mol->getName();
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 | 75 | //  state->mol->setName(state->lastName);
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 | 76 | 
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 | 77 |   return Action::failure;
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 | 78 | }
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 | 79 | 
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 | 80 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
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 | 81 |   // Undo and redo have to do the same for this action
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 | 82 |   return performUndo(_state);
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 | 83 | }
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 | 84 | 
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 | 85 | bool TesselationNonConvexEnvelopeAction::canUndo() {
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 | 86 |   return false;
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 | 87 | }
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 | 88 | 
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 | 89 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
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 | 90 |   return false;
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 | 91 | }
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| [1fd675] | 92 | /** =========== end of function ====================== */
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