| 1 | /*
 | 
|---|
| 2 |  * Project: MoleCuilder
 | 
|---|
| 3 |  * Description: creates and alters molecular systems
 | 
|---|
| 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 | 
|---|
| 5 |  * 
 | 
|---|
| 6 |  *
 | 
|---|
| 7 |  *   This file is part of MoleCuilder.
 | 
|---|
| 8 |  *
 | 
|---|
| 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
 | 
|---|
| 10 |  *    it under the terms of the GNU General Public License as published by
 | 
|---|
| 11 |  *    the Free Software Foundation, either version 2 of the License, or
 | 
|---|
| 12 |  *    (at your option) any later version.
 | 
|---|
| 13 |  *
 | 
|---|
| 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
 | 
|---|
| 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
 | 
|---|
| 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 | 
|---|
| 17 |  *    GNU General Public License for more details.
 | 
|---|
| 18 |  *
 | 
|---|
| 19 |  *    You should have received a copy of the GNU General Public License
 | 
|---|
| 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
 | 
|---|
| 21 |  */
 | 
|---|
| 22 | 
 | 
|---|
| 23 | /*
 | 
|---|
| 24 |  * NonConvexEnvelopeAction.cpp
 | 
|---|
| 25 |  *
 | 
|---|
| 26 |  *  Created on: May 10, 2010
 | 
|---|
| 27 |  *      Author: heber
 | 
|---|
| 28 |  */
 | 
|---|
| 29 | 
 | 
|---|
| 30 | // include config.h
 | 
|---|
| 31 | #ifdef HAVE_CONFIG_H
 | 
|---|
| 32 | #include <config.h>
 | 
|---|
| 33 | #endif
 | 
|---|
| 34 | 
 | 
|---|
| 35 | #include "CodePatterns/MemDebug.hpp"
 | 
|---|
| 36 | 
 | 
|---|
| 37 | #include "CodePatterns/Log.hpp"
 | 
|---|
| 38 | #include "LinkedCell/linkedcell.hpp"
 | 
|---|
| 39 | #include "LinkedCell/PointCloudAdaptor.hpp"
 | 
|---|
| 40 | #include "molecule.hpp"
 | 
|---|
| 41 | #include "Tesselation/boundary.hpp"
 | 
|---|
| 42 | #include "Tesselation/tesselation.hpp"
 | 
|---|
| 43 | #include "World.hpp"
 | 
|---|
| 44 | 
 | 
|---|
| 45 | #include <iostream>
 | 
|---|
| 46 | #include <string>
 | 
|---|
| 47 | 
 | 
|---|
| 48 | #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
 | 
|---|
| 49 | 
 | 
|---|
| 50 | using namespace MoleCuilder;
 | 
|---|
| 51 | 
 | 
|---|
| 52 | // and construct the stuff
 | 
|---|
| 53 | #include "NonConvexEnvelopeAction.def"
 | 
|---|
| 54 | #include "Action_impl_pre.hpp"
 | 
|---|
| 55 | /** =========== define the function ====================== */
 | 
|---|
| 56 | Action::state_ptr TesselationNonConvexEnvelopeAction::performCall() {
 | 
|---|
| 57 |   molecule * Boundary = NULL;
 | 
|---|
| 58 |   bool Success = false;
 | 
|---|
| 59 |   clock_t start,end;
 | 
|---|
| 60 | 
 | 
|---|
| 61 |   for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
 | 
|---|
| 62 |     Boundary = iter->second;
 | 
|---|
| 63 |     class Tesselation *T = NULL;
 | 
|---|
| 64 |     const LinkedCell_deprecated *LCList = NULL;
 | 
|---|
| 65 |     LOG(0, "Evaluating non-convex envelope of molecule." << Boundary->getId());
 | 
|---|
| 66 |     LOG(1, "Using rolling ball of radius " << params.SphereRadius.get() << " and storing tecplot data in " << params.filename.get() << ".");
 | 
|---|
| 67 |     LOG(1, "Specified molecule has " << Boundary->getAtomCount() << " atoms.");
 | 
|---|
| 68 |     start = clock();
 | 
|---|
| 69 |     PointCloudAdaptor< molecule > cloud(Boundary, Boundary->name);
 | 
|---|
| 70 |     LCList = new LinkedCell_deprecated(cloud, params.SphereRadius.get()*2.);
 | 
|---|
| 71 |     Success = FindNonConvexBorder(Boundary, T, LCList, params.SphereRadius.get(), params.filename.get().string().c_str());
 | 
|---|
| 72 |     //FindDistributionOfEllipsoids(T, &LCList, N, number, params.filename.get().c_str());
 | 
|---|
| 73 |     end = clock();
 | 
|---|
| 74 |     LOG(0, "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s.");
 | 
|---|
| 75 |     delete(LCList);
 | 
|---|
| 76 |     delete(T);
 | 
|---|
| 77 |   }
 | 
|---|
| 78 |   if (Success)
 | 
|---|
| 79 |     return Action::success;
 | 
|---|
| 80 |   else
 | 
|---|
| 81 |     return Action::failure;
 | 
|---|
| 82 | }
 | 
|---|
| 83 | 
 | 
|---|
| 84 | Action::state_ptr TesselationNonConvexEnvelopeAction::performUndo(Action::state_ptr _state) {
 | 
|---|
| 85 | //  TesselationNonConvexEnvelopeState *state = assert_cast<TesselationNonConvexEnvelopeState*>(_state.get());
 | 
|---|
| 86 | 
 | 
|---|
| 87 | //  string newName = state->mol->getName();
 | 
|---|
| 88 | //  state->mol->setName(state->lastName);
 | 
|---|
| 89 | 
 | 
|---|
| 90 |   return Action::failure;
 | 
|---|
| 91 | }
 | 
|---|
| 92 | 
 | 
|---|
| 93 | Action::state_ptr TesselationNonConvexEnvelopeAction::performRedo(Action::state_ptr _state){
 | 
|---|
| 94 |   // Undo and redo have to do the same for this action
 | 
|---|
| 95 |   return performUndo(_state);
 | 
|---|
| 96 | }
 | 
|---|
| 97 | 
 | 
|---|
| 98 | bool TesselationNonConvexEnvelopeAction::canUndo() {
 | 
|---|
| 99 |   return false;
 | 
|---|
| 100 | }
 | 
|---|
| 101 | 
 | 
|---|
| 102 | bool TesselationNonConvexEnvelopeAction::shouldUndo() {
 | 
|---|
| 103 |   return false;
 | 
|---|
| 104 | }
 | 
|---|
| 105 | /** =========== end of function ====================== */
 | 
|---|