[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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[97ebf8] | 22 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
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[0430e3] | 23 | #include "Actions/ActionRegistry.hpp"
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[628b52] | 24 | #include "boundary.hpp"
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| 25 | #include "linkedcell.hpp"
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[952f38] | 26 | #include "Helpers/Log.hpp"
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[628b52] | 27 | #include "molecule.hpp"
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[88b400] | 28 | #include "tesselation.hpp"
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[952f38] | 29 | #include "Helpers/Verbose.hpp"
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[628b52] | 30 | #include "World.hpp"
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[97ebf8] | 31 |
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| 32 | #include <iostream>
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| 33 | #include <string>
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| 34 |
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| 35 | using namespace std;
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| 36 |
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| 37 | #include "UIElements/UIFactory.hpp"
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| 38 | #include "UIElements/Dialog.hpp"
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[861874] | 39 | #include "Actions/ValueStorage.hpp"
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[97ebf8] | 40 |
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| 41 | /****** TesselationNonConvexEnvelopeAction *****/
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| 42 |
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| 43 | // memento to remember the state when undoing
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| 44 |
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| 45 | //class TesselationNonConvexEnvelopeState : public ActionState {
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| 46 | //public:
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| 47 | // TesselationNonConvexEnvelopeState(molecule* _mol,std::string _lastName) :
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| 48 | // mol(_mol),
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| 49 | // lastName(_lastName)
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| 50 | // {}
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| 51 | // molecule* mol;
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| 52 | // std::string lastName;
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| 53 | //};
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| 54 |
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| 55 | const char TesselationNonConvexEnvelopeAction::NAME[] = "nonconvex-envelope";
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| 56 |
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| 57 | TesselationNonConvexEnvelopeAction::TesselationNonConvexEnvelopeAction() :
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| 58 | Action(NAME)
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| 59 | {}
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| 60 |
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| 61 | TesselationNonConvexEnvelopeAction::~TesselationNonConvexEnvelopeAction()
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| 62 | {}
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| 63 |
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[628b52] | 64 | void TesselationNonConvexEnvelope(double radius, std::string &filename) {
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| 65 | ValueStorage::getInstance().setCurrentValue(TesselationNonConvexEnvelopeAction::NAME, radius);
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| 66 | ValueStorage::getInstance().setCurrentValue("nonconvex-file", filename);
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| 67 | ActionRegistry::getInstance().getActionByName(TesselationNonConvexEnvelopeAction::NAME)->call(Action::NonInteractive);
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| 68 | };
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| 69 |
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[047878] | 70 | Dialog* TesselationNonConvexEnvelopeAction::fillDialog(Dialog *dialog) {
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| 71 | ASSERT(dialog,"No Dialog given when filling action dialog");
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[ff4fd2a] | 72 |
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[c89fb4] | 73 | dialog->queryDouble(NAME, ValueStorage::getInstance().getDescription(NAME));
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| 74 | dialog->queryString("nonconvex-file", ValueStorage::getInstance().getDescription("nonconvex-file"));
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[ff4fd2a] | 75 |
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| 76 | return dialog;
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| 77 | }
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| 78 |
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[97ebf8] | 79 | Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() {
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| 80 | string filename;
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| 81 | molecule * Boundary = NULL;
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| 82 | double SphereRadius = 0;
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| 83 | bool Success = false;
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| 84 | clock_t start,end;
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| 85 |
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[1d9b7d2] | 86 | ValueStorage::getInstance().queryCurrentValue(NAME, SphereRadius);
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[ff4fd2a] | 87 | ValueStorage::getInstance().queryCurrentValue("nonconvex-file", filename);
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[97ebf8] | 88 |
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[ff4fd2a] | 89 | for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
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| 90 | Boundary = iter->second;
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[97ebf8] | 91 | class Tesselation *T = NULL;
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| 92 | const LinkedCell *LCList = NULL;
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| 93 | DoLog(0) && (Log() << Verbose(0) << "Evaluating non-convex envelope of molecule." << Boundary->getId() << endl);
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| 94 | DoLog(1) && (Log() << Verbose(1) << "Using rolling ball of radius " << SphereRadius << " and storing tecplot data in " << filename << "." << endl);
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[1024cb] | 95 | DoLog(1) && (Log() << Verbose(1) << "Specified molecule has " << Boundary->getAtomCount() << " atoms." << endl);
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[97ebf8] | 96 | start = clock();
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| 97 | LCList = new LinkedCell(Boundary, SphereRadius*2.);
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| 98 | Success = FindNonConvexBorder(Boundary, T, LCList, SphereRadius, filename.c_str());
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| 99 | //FindDistributionOfEllipsoids(T, &LCList, N, number, filename.c_str());
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| 100 | end = clock();
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| 101 | DoLog(0) && (Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl);
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| 102 | delete(LCList);
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| 103 | delete(T);
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| 104 | }
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[ff4fd2a] | 105 | if (Success)
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| 106 | return Action::success;
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| 107 | else
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| 108 | return Action::failure;
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[97ebf8] | 109 | }
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| 110 |
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| 111 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
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| 112 | // TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
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| 113 |
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| 114 | // string newName = state->mol->getName();
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| 115 | // state->mol->setName(state->lastName);
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| 116 |
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| 117 | return Action::failure;
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| 118 | }
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| 119 |
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| 120 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
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| 121 | // Undo and redo have to do the same for this action
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| 122 | return performUndo(_state);
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| 123 | }
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| 124 |
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| 125 | bool TesselationNonConvexEnvelopeAction::canUndo() {
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| 126 | return false;
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| 127 | }
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| 128 |
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| 129 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
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| 130 | return false;
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| 131 | }
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| 132 |
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| 133 | const string TesselationNonConvexEnvelopeAction::getName() {
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| 134 | return NAME;
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| 135 | }
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