[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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[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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[6bd7e0] | 52 | const LinkedCell_deprecated *LCList = NULL;
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[47d041] | 53 | LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId());
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| 54 | LOG(1, "Using rolling ball of radius " << params.SphereRadius << " and storing tecplot data in " << params.filename << ".");
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| 55 | LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms.");
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[97ebf8] | 56 | start = clock();
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[caa06ef] | 57 | PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name);
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[6bd7e0] | 58 | LCList = new LinkedCell_deprecated(cloud, params.SphereRadius*2.);
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[e4afb4] | 59 | Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius, params.filename.string().c_str());
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[1fd675] | 60 | //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.c_str());
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[97ebf8] | 61 | end = clock();
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[47d041] | 62 | LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s.");
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[97ebf8] | 63 | delete(LCList);
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| 64 | delete(T);
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| 65 | }
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[ff4fd2a] | 66 | if (Success)
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| 67 | return Action::success;
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| 68 | else
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| 69 | return Action::failure;
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[97ebf8] | 70 | }
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| 71 |
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| 72 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
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| 73 | // TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
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| 74 |
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| 75 | // string newName = state->mol->getName();
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| 76 | // state->mol->setName(state->lastName);
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| 77 |
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| 78 | return Action::failure;
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| 79 | }
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| 80 |
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| 81 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
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| 82 | // Undo and redo have to do the same for this action
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| 83 | return performUndo(_state);
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| 84 | }
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| 85 |
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| 86 | bool TesselationNonConvexEnvelopeAction::canUndo() {
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| 87 | return false;
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| 88 | }
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| 89 |
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| 90 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
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| 91 | return false;
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| 92 | }
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[1fd675] | 93 | /** =========== end of function ====================== */
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