source: src/Actions/AtomAction/MirrorAction.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: 3.9 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2014 Frederik Heber. 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 * MirrorAction.cpp
25 *
26 * Created on: Sep 10, 2014
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 "Atom/atom.hpp"
39#include "LinearAlgebra/Plane.hpp"
40#include "LinearAlgebra/Vector.hpp"
41#include "CodePatterns/Verbose.hpp"
42#include "World.hpp"
43
44#include <iostream>
45#include <fstream>
46#include <string>
47
48#include "Actions/AtomAction/MirrorAction.hpp"
49
50using namespace MoleCuilder;
51
52// and construct the stuff
53#include "MirrorAction.def"
54#include "Action_impl_pre.hpp"
55/** =========== define the function ====================== */
56ActionState::ptr AtomMirrorAction::performCall() {
57 Box &domain = World::getInstance().getDomain();
58 std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
59
60 Plane *MirrorPlane = NULL;
61 std::vector<atom *>::iterator iter = selectedAtoms.begin();
62 try {
63 MirrorPlane = new Plane(params.normal.get(), params.offset.get());
64 for (; iter != selectedAtoms.end(); ++iter) {
65 (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition()));
66 if (params.periodic.get())
67 (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
68 }
69 } catch( LinearAlgebraException &e) {
70 // flip back
71 for (std::vector<atom *>::iterator undoiter = selectedAtoms.begin();
72 undoiter != iter; ++undoiter)
73 (*iter)->setPosition(MirrorPlane->mirrorVector((*iter)->getPosition()));
74 delete MirrorPlane;
75 return Action::failure;
76 }
77 delete MirrorPlane;
78
79 return ActionState::ptr(new AtomMirrorState(selectedAtoms, params));
80}
81
82ActionState::ptr AtomMirrorAction::performUndo(ActionState::ptr _state) {
83 AtomMirrorState *state = assert_cast<AtomMirrorState*>(_state.get());
84 Box &domain = World::getInstance().getDomain();
85
86 Plane MirrorPlane(state->params.normal.get(), state->params.offset.get());
87 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
88 (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition()));
89 if (state->params.periodic.get())
90 (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
91 }
92
93 return ActionState::ptr(_state);
94}
95
96ActionState::ptr AtomMirrorAction::performRedo(ActionState::ptr _state){
97 AtomMirrorState *state = assert_cast<AtomMirrorState*>(_state.get());
98 Box &domain = World::getInstance().getDomain();
99
100 Plane MirrorPlane(state->params.normal.get(), state->params.offset.get());
101 for (std::vector<atom *>::iterator iter = state->selectedAtoms.begin(); iter != state->selectedAtoms.end(); ++iter) {
102 (*iter)->setPosition(MirrorPlane.mirrorVector((*iter)->getPosition()));
103 if (state->params.periodic.get())
104 (*iter)->setPosition(domain.enforceBoundaryConditions((*iter)->getPosition()));
105 }
106
107 return ActionState::ptr(_state);
108}
109
110bool AtomMirrorAction::canUndo() {
111 return true;
112}
113
114bool AtomMirrorAction::shouldUndo() {
115 return true;
116}
117/** =========== end of function ====================== */
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