1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * BondRemoveAction.cpp
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25 | *
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26 | * Created on: Nov 14, 2012
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27 | * Author: heber
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28 | */
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29 |
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30 | // include config.h
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31 | #ifdef HAVE_CONFIG_H
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32 | #include <config.h>
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33 | #endif
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34 |
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35 | #include "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "Atom/atom.hpp"
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38 | #include "Bond/bond.hpp"
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39 | #include "CodePatterns/Assert.hpp"
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40 | #include "CodePatterns/Log.hpp"
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41 | #include "CodePatterns/Verbose.hpp"
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42 | #include "Descriptors/AtomIdDescriptor.hpp"
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43 | #include "World.hpp"
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44 | #include "WorldTime.hpp"
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45 |
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46 | #include <iostream>
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47 | #include <string>
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48 |
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49 | #include "Actions/BondAction/BondRemoveAction.hpp"
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50 |
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51 | using namespace MoleCuilder;
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52 |
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53 | // and construct the stuff
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54 | #include "BondRemoveAction.def"
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55 | #include "Action_impl_pre.hpp"
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56 | /** =========== define the function ====================== */
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57 | Action::state_ptr BondRemoveAction::performCall() {
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58 | // check preconditions
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59 | if (World::getInstance().countSelectedAtoms() != 2) {
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60 | ELOG(1, "Exactly two atoms must be selected for BondAction Remove.");
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61 | return Action::failure;
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62 | }
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63 | const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
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64 | if (!selected_atoms[0]->IsBondedTo(WorldTime::getTime(), selected_atoms[1])) {
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65 | ELOG(2, "There is no bond in between the two selected atoms.");
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66 | return Action::failure;
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67 | }
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68 |
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69 | // create undo
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70 | BondRemoveState *UndoState = new BondRemoveState(selected_atoms[0]->getId(), selected_atoms[1]->getId(), params);
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71 |
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72 | // execute action
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73 | selected_atoms[0]->removeBond(WorldTime::getTime(), selected_atoms[1]);
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74 | ASSERT( !selected_atoms[0]->IsBondedTo(WorldTime::getTime(), selected_atoms[1]),
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75 | "BondRemoveAction::performCall() - removing bond in between "
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76 | +toString(*selected_atoms[0])+" and "+toString(*selected_atoms[1])+" failed.");
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77 |
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78 | return Action::state_ptr(UndoState);
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79 | }
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80 |
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81 | Action::state_ptr BondRemoveAction::performUndo(Action::state_ptr _state) {
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82 | BondRemoveState *state = assert_cast<BondRemoveState*>(_state.get());
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83 |
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84 | // check whether bond already existed
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85 | atom * const first = World::getInstance().getAtom(AtomById(state->firstId));
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86 | atom * const second = World::getInstance().getAtom(AtomById(state->secondId));
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87 | ASSERT((first != NULL) && (second != NULL),
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88 | "BondRemoveAction::performUndo() - at least one of the ids "
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89 | +toString(state->firstId)+" or "+toString(state->secondId)+" is not present.");
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90 | if (!first->IsBondedTo(WorldTime::getTime(), second)) {
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91 | first->addBond(WorldTime::getTime(), second);
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92 | } else {
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93 | ELOG(2, "There is already a bond in between "+toString(state->firstId)
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94 | +" and "+toString(state->secondId)+".");
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95 | }
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96 |
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97 | return Action::state_ptr(_state);
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98 | }
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99 |
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100 | Action::state_ptr BondRemoveAction::performRedo(Action::state_ptr _state){
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101 | BondRemoveState *state = assert_cast<BondRemoveState*>(_state.get());
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102 |
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103 | // check whether bond already existed
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104 | atom * const first = World::getInstance().getAtom(AtomById(state->firstId));
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105 | atom * const second = World::getInstance().getAtom(AtomById(state->secondId));
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106 | ASSERT((first != NULL) && (second != NULL),
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107 | "BondRemoveAction::performRedo() - at least one of the ids "
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108 | +toString(state->firstId)+" or "+toString(state->secondId)+" is not present.");
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109 | if (first->IsBondedTo(WorldTime::getTime(), second)) {
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110 | first->removeBond(WorldTime::getTime(), second);
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111 | } else {
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112 | ELOG(2, "There is no bond in between "+toString(state->firstId)
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113 | +" and "+toString(state->secondId)+".");
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114 | }
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115 |
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116 | return Action::state_ptr(_state);
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117 | }
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118 |
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119 | bool BondRemoveAction::canUndo() {
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120 | return true;
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121 | }
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122 |
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123 | bool BondRemoveAction::shouldUndo() {
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124 | return true;
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125 | }
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126 | /** =========== end of function ====================== */
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