source: src/Actions/TesselationAction/NonConvexEnvelopeAction.cpp

Candidate_v1.6.1
Last change on this file was 9eb71b3, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Commented out MemDebug include and Memory::ignore.

  • MemDebug clashes with various allocation operators that use a specific placement in memory. It is so far not possible to wrap new/delete fully. Hence, we stop this effort which so far has forced us to put ever more includes (with clashes) into MemDebug and thereby bloat compilation time.
  • MemDebug does not add that much usefulness which is not also provided by valgrind.
  • Property mode set to 100644
File size: 3.6 KB
Line 
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
50using namespace MoleCuilder;
51
52// and construct the stuff
53#include "NonConvexEnvelopeAction.def"
54#include "Action_impl_pre.hpp"
55/** =========== define the function ====================== */
56ActionState::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
84ActionState::ptr TesselationNonConvexEnvelopeAction::performUndo(ActionState::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 STATUS("Undo of TesselationNonConvexEnvelopeAction not implemented.");
91 return Action::failure;
92}
93
94ActionState::ptr TesselationNonConvexEnvelopeAction::performRedo(ActionState::ptr _state){
95 // Undo and redo have to do the same for this action
96 return performUndo(_state);
97}
98
99bool TesselationNonConvexEnvelopeAction::canUndo() {
100 return false;
101}
102
103bool TesselationNonConvexEnvelopeAction::shouldUndo() {
104 return false;
105}
106/** =========== end of function ====================== */
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