source: src/Actions/BondAction/BondRemoveAction.cpp@ 0cd8cf

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Last change on this file since 0cd8cf was f63e41, checked in by Frederik Heber <heber@…>, 12 years ago

Added Actions to add and remove a bond in between two atoms.

  • added new menu "bond".
  • added new CommandLineParser options "bond".
  • added new regression test folder "bond".
  • also added regression tests with undo/redo for the new actions.
  • Property mode set to 100644
File size: 4.3 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 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 * BondRemoveAction.cpp
25 *
26 * Created on: Nov 14, 2012
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 "Atom/atom.hpp"
38#include "Bond/bond.hpp"
39#include "CodePatterns/Assert.hpp"
40#include "CodePatterns/Log.hpp"
41#include "CodePatterns/Verbose.hpp"
42#include "Descriptors/AtomIdDescriptor.hpp"
43#include "World.hpp"
44#include "WorldTime.hpp"
45
46#include <iostream>
47#include <string>
48
49#include "Actions/BondAction/BondRemoveAction.hpp"
50
51using namespace MoleCuilder;
52
53// and construct the stuff
54#include "BondRemoveAction.def"
55#include "Action_impl_pre.hpp"
56/** =========== define the function ====================== */
57Action::state_ptr BondRemoveAction::performCall() {
58 // check preconditions
59 if (World::getInstance().countSelectedAtoms() != 2) {
60 ELOG(1, "Exactly two atoms must be selected for BondAction Remove.");
61 return Action::failure;
62 }
63 const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
64 if (!selected_atoms[0]->IsBondedTo(WorldTime::getTime(), selected_atoms[1])) {
65 ELOG(2, "There is no bond in between the two selected atoms.");
66 return Action::failure;
67 }
68
69 // create undo
70 BondRemoveState *UndoState = new BondRemoveState(selected_atoms[0]->getId(), selected_atoms[1]->getId(), params);
71
72 // execute action
73 selected_atoms[0]->removeBond(WorldTime::getTime(), selected_atoms[1]);
74 ASSERT( !selected_atoms[0]->IsBondedTo(WorldTime::getTime(), selected_atoms[1]),
75 "BondRemoveAction::performCall() - removing bond in between "
76 +toString(*selected_atoms[0])+" and "+toString(*selected_atoms[1])+" failed.");
77
78 return Action::state_ptr(UndoState);
79}
80
81Action::state_ptr BondRemoveAction::performUndo(Action::state_ptr _state) {
82 BondRemoveState *state = assert_cast<BondRemoveState*>(_state.get());
83
84 // check whether bond already existed
85 atom * const first = World::getInstance().getAtom(AtomById(state->firstId));
86 atom * const second = World::getInstance().getAtom(AtomById(state->secondId));
87 ASSERT((first != NULL) && (second != NULL),
88 "BondRemoveAction::performUndo() - at least one of the ids "
89 +toString(state->firstId)+" or "+toString(state->secondId)+" is not present.");
90 if (!first->IsBondedTo(WorldTime::getTime(), second)) {
91 first->addBond(WorldTime::getTime(), second);
92 } else {
93 ELOG(2, "There is already a bond in between "+toString(state->firstId)
94 +" and "+toString(state->secondId)+".");
95 }
96
97 return Action::state_ptr(_state);
98}
99
100Action::state_ptr BondRemoveAction::performRedo(Action::state_ptr _state){
101 BondRemoveState *state = assert_cast<BondRemoveState*>(_state.get());
102
103 // check whether bond already existed
104 atom * const first = World::getInstance().getAtom(AtomById(state->firstId));
105 atom * const second = World::getInstance().getAtom(AtomById(state->secondId));
106 ASSERT((first != NULL) && (second != NULL),
107 "BondRemoveAction::performRedo() - at least one of the ids "
108 +toString(state->firstId)+" or "+toString(state->secondId)+" is not present.");
109 if (first->IsBondedTo(WorldTime::getTime(), second)) {
110 first->removeBond(WorldTime::getTime(), second);
111 } else {
112 ELOG(2, "There is no bond in between "+toString(state->firstId)
113 +" and "+toString(state->secondId)+".");
114 }
115
116 return Action::state_ptr(_state);
117}
118
119bool BondRemoveAction::canUndo() {
120 return true;
121}
122
123bool BondRemoveAction::shouldUndo() {
124 return true;
125}
126/** =========== end of function ====================== */
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