source: src/Actions/AtomAction/ChangeElementAction.cpp@ a844d8

Candidate_v1.6.1
Last change on this file since a844d8 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: 3.4 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[94d5ac6]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/>.
[bcf653]21 */
22
[97ebf8]23/*
24 * ChangeElementAction.cpp
25 *
26 * Created on: May 9, 2010
27 * Author: heber
28 */
29
[bf3817]30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
[9eb71b3]35//#include "CodePatterns/MemDebug.hpp"
[112b09]36
[f8456c]37#include "Descriptors/AtomIdDescriptor.hpp"
[6f0841]38#include "Atom/atom.hpp"
[3bdb6d]39#include "Element/element.hpp"
[ad011c]40#include "CodePatterns/Log.hpp"
[57f243]41#include "LinearAlgebra/Vector.hpp"
[ad011c]42#include "CodePatterns/Verbose.hpp"
[dddbfe]43#include "molecule.hpp"
[97ebf8]44#include "World.hpp"
45
46#include <iostream>
[f8456c]47#include <map>
[97ebf8]48#include <string>
49
[1fd675]50#include "Actions/AtomAction/ChangeElementAction.hpp"
[454065]51
[ce7fdc]52using namespace MoleCuilder;
53
[1fd675]54// and construct the stuff
55#include "ChangeElementAction.def"
56#include "Action_impl_pre.hpp"
57/** =========== define the function ====================== */
[b5b01e]58ActionState::ptr AtomChangeElementAction::performCall() {
[f8456c]59 // create undo state
60 ElementMap Elements;
61 for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
62 Elements.insert(std::pair<int, const element *> (iter->second->getId(), iter->second->getType()));
63 }
[1fd675]64 AtomChangeElementState *UndoState = new AtomChangeElementState(Elements, params);
[f8456c]65
[454065]66 for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
[f01769]67 atom *first = iter->second;
[f10b0c]68 LOG(1, "Changing atom " << *first << " to element " << *params.elemental.get() << ".");
69 first->setType(params.elemental.get());
[454065]70 }
[b5b01e]71 return ActionState::ptr(UndoState);
[97ebf8]72}
73
[b5b01e]74ActionState::ptr AtomChangeElementAction::performUndo(ActionState::ptr _state) {
[f8456c]75 AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
76 for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
[f01769]77 atom *first = World::getInstance().getAtom(AtomById(iter->first));
[f8456c]78 first->setType(iter->second);
79 }
80
[b5b01e]81 return ActionState::ptr(_state);
[97ebf8]82}
83
[b5b01e]84ActionState::ptr AtomChangeElementAction::performRedo(ActionState::ptr _state){
[f8456c]85 AtomChangeElementState *state = assert_cast<AtomChangeElementState*>(_state.get());
86
87 for(ElementMap::const_iterator iter = state->Elements.begin(); iter != state->Elements.end(); ++iter) {
[f01769]88 atom *first = World::getInstance().getAtom(AtomById(iter->first));
[f10b0c]89 first->setType(state->params.elemental.get());
[f8456c]90 }
91
[b5b01e]92 return ActionState::ptr(_state);
[97ebf8]93}
94
95bool AtomChangeElementAction::canUndo() {
[f8456c]96 return true;
[97ebf8]97}
98
99bool AtomChangeElementAction::shouldUndo() {
[f8456c]100 return true;
[97ebf8]101}
[1fd675]102/** =========== end of function ====================== */
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