source: src/Actions/AtomAction/AddAction.cpp@ ceaab1

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Last change on this file since ceaab1 was ceaab1, checked in by Frederik Heber <heber@…>, 9 years ago

AddAtom now adds a molecule (atom always associated with a molecule).

  • also by default, constructs a new molecule if none has been selected.
  • we missed changing the atom id on redo (new ones have different ids) and especially now telling the associated molecule about it. This is changed with a new molecule::changeAtomId().
  • Property mode set to 100644
File size: 5.3 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 * AddAction.cpp
25 *
26 * Created on: May 9, 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 "Descriptors/AtomIdDescriptor.hpp"
38#include "Atom/atom.hpp"
39#include "Element/element.hpp"
40#include "CodePatterns/Log.hpp"
41#include "molecule.hpp"
42#include "LinearAlgebra/Vector.hpp"
43#include "CodePatterns/Verbose.hpp"
44#include "World.hpp"
45
46#include <iostream>
47#include <string>
48
49#include "Actions/AtomAction/AddAction.hpp"
50
51using namespace MoleCuilder;
52
53// and construct the stuff
54#include "AddAction.def"
55#include "Action_impl_pre.hpp"
56/** =========== define the function ====================== */
57
58atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params)
59{
60 atom * first = World::getInstance().createAtom();
61 first->setType(_params.elemental.get());
62 first->setPosition(_params.position.get());
63
64 return first;
65}
66
67std::vector<atomId_t> createAtoms(
68 const AtomAddAction::AtomAddParameters &_params,
69 std::vector<molecule *> &_molecules)
70{
71 std::vector<atomId_t> ids;
72 if (!_molecules.empty()) {
73 if (_molecules.size() == 1) {
74 atom *first = getNewAtom(_params);
75 molecule *mol = *_molecules.begin();
76 LOG(1, "Adding new atom with element " << first->getType()->getName()
77 << " at " << (first->getPosition()) << " to selected molecule "
78 << mol->getName()+".");
79 mol->AddAtom(first);
80 ids.push_back(first->getId());
81 }
82 } else {
83 atom *first = getNewAtom(_params);
84 molecule *mol = World::getInstance().createMolecule();
85 mol->setName("none");
86 mol->AddAtom(first);
87 LOG(1, "Adding new atom with element " << first->getType()->getName()
88 << " at " << (first->getPosition()) << " to new molecule.");
89 ids.push_back(first->getId());
90 }
91
92 return ids;
93}
94
95ActionState::ptr AtomAddAction::performCall() {
96 // execute action
97 std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
98 std::vector<atomId_t> ids = createAtoms(params, molecules);
99
100 if (molecules.size() > 1)
101 return Action::failure;
102 else
103 return ActionState::ptr(new AtomAddState(ids, params));
104}
105
106ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state) {
107 AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
108
109 for (std::vector<atomId_t>::const_iterator iter = state->ids.begin();
110 iter != state->ids.end(); ++iter) {
111 LOG(1, "Removing atom with id " << *iter << ".");
112 World::getInstance().destroyAtom(*iter);
113 }
114
115 return ActionState::ptr(_state);
116}
117
118ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state){
119 AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
120
121 std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
122 std::vector<atomId_t> newids = createAtoms(params, molecules);
123
124 if (newids.size() != state->ids.size()) {
125 STATUS("Could not recreate all atoms after undo.");
126 for (std::vector<atomId_t>::const_iterator iter = newids.begin(); iter != newids.end();++iter)
127 World::getInstance().destroyAtom(*iter);
128 return Action::failure;
129 }
130
131 std::vector<atomId_t>::const_iterator newiter = newids.begin();
132 std::vector<atomId_t>::const_iterator olditer = state->ids.begin();
133 bool status=true;
134 for (; newiter != newids.end(); ++newiter, ++olditer) {
135 atom * first = World::getInstance().getAtom(AtomById(*newiter));
136 ASSERT( first != NULL,
137 "AtomAddAction::performRedo() - re-created atom not present?");
138 if (first->getId() != *olditer)
139 if (!first->changeId(*olditer)) {
140 STATUS("Could not change atom id "+toString(first->getId())+"->"+toString(*olditer)+".");
141 // remove all created atoms
142 for (std::vector<atomId_t>::const_iterator iter = state->ids.begin(); iter != olditer;++iter)
143 World::getInstance().destroyAtom(*iter);
144 olditer = state->ids.end();
145 for (std::vector<atomId_t>::const_iterator iter = newiter; iter != newids.end();++iter)
146 World::getInstance().destroyAtom(*iter);
147 status = false;
148 break;
149 }
150 }
151 ASSERT( olditer == state->ids.end(),
152 "AtomAddAction::performRedo() - after all unequal amount of ids in new and old?");
153
154 if (!status) {
155 return Action::failure;
156 } else
157 return ActionState::ptr(_state);
158}
159
160bool AtomAddAction::canUndo() {
161 return true;
162}
163
164bool AtomAddAction::shouldUndo() {
165 return true;
166}
167/** =========== end of function ====================== */
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