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) 2010-2012 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 | * AddAction.cpp
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25 | *
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26 | * Created on: May 9, 2010
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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 "Descriptors/AtomIdDescriptor.hpp"
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38 | #include "Atom/atom.hpp"
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39 | #include "Element/element.hpp"
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40 | #include "CodePatterns/Log.hpp"
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41 | #include "molecule.hpp"
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42 | #include "LinearAlgebra/Vector.hpp"
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43 | #include "CodePatterns/Verbose.hpp"
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44 | #include "World.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/AtomAction/AddAction.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 "AddAction.def"
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55 | #include "Action_impl_pre.hpp"
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56 | /** =========== define the function ====================== */
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57 |
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58 | atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params)
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59 | {
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60 | atom * first = World::getInstance().createAtom();
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61 | first->setType(_params.elemental.get());
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62 | first->setPosition(_params.position.get());
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63 |
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64 | return first;
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65 | }
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66 |
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67 | atom * regetNewAtom(const AtomAddAction::AtomAddParameters &_params, const atomId_t _id)
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68 | {
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69 | atom * first = World::getInstance().recreateAtom(_id);
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70 | first->setType(_params.elemental.get());
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71 | first->setPosition(_params.position.get());
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72 |
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73 | return first;
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74 | }
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75 |
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76 | std::vector<atomId_t> createAtoms(
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77 | const AtomAddAction::AtomAddParameters &_params,
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78 | std::vector<molecule *> &_molecules)
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79 | {
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80 | std::vector<atomId_t> ids;
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81 | if (!_molecules.empty()) {
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82 | if (_molecules.size() == 1) {
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83 | atom *first = getNewAtom(_params);
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84 | molecule *mol = *_molecules.begin();
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85 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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86 | << " at " << (first->getPosition()) << " to selected molecule "
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87 | << mol->getName()+".");
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88 | mol->AddAtom(first);
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89 | ids.push_back(first->getId());
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90 | }
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91 | } else {
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92 | atom *first = getNewAtom(_params);
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93 | molecule *mol = World::getInstance().createMolecule();
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94 | mol->setName("none");
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95 | mol->AddAtom(first);
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96 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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97 | << " at " << (first->getPosition()) << " to new molecule.");
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98 | ids.push_back(first->getId());
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99 | }
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100 |
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101 | return ids;
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102 | }
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103 |
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104 | std::vector<atomId_t> recreateAtoms(
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105 | const AtomAddAction::AtomAddParameters &_params,
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106 | const std::vector<atomId_t> &_ids,
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107 | std::vector<molecule *> &_molecules)
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108 | {
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109 | molecule *mol = NULL;
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110 | if (!_molecules.empty()) {
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111 | ASSERT (_molecules.size() == 1,
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112 | "recreateAtoms() - more than one molecules given.");
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113 | mol = *_molecules.begin();
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114 | } else {
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115 | mol = World::getInstance().createMolecule();
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116 | mol->setName("none");
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117 | }
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118 | std::vector<atomId_t> newids;
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119 | for (std::vector<atomId_t>::const_iterator iter = _ids.begin();
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120 | iter != _ids.end(); ++iter) {
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121 | atom *first = regetNewAtom(_params, *iter);
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122 | if (first != NULL) {
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123 | newids.push_back(first->getId());
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124 | mol->AddAtom(first);
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125 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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126 | << " at " << (first->getPosition()) << " to new molecule.");
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127 | } else {
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128 | ELOG(1, "Could not recreate atom with id " << *iter);
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129 | break;
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130 | }
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131 | }
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132 |
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133 | return newids;
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134 | }
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135 |
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136 | ActionState::ptr AtomAddAction::performCall() {
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137 | // execute action
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138 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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139 | std::vector<atomId_t> ids = createAtoms(params, molecules);
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140 |
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141 | if (molecules.size() > 1)
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142 | return Action::failure;
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143 | else
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144 | return ActionState::ptr(new AtomAddState(ids, params));
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145 | }
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146 |
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147 | ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state) {
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148 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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149 |
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150 | for (std::vector<atomId_t>::const_iterator iter = state->ids.begin();
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151 | iter != state->ids.end(); ++iter) {
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152 | LOG(1, "Removing atom with id " << *iter << ".");
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153 | World::getInstance().destroyAtom(*iter);
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154 | }
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155 |
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156 | return ActionState::ptr(_state);
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157 | }
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158 |
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159 | ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state){
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160 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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161 |
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162 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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163 | std::vector<atomId_t> newids = recreateAtoms(state->params, state->ids, molecules);
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164 | if (newids.size() != state->ids.size()) {
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165 | STATUS("Could not recreate all atoms after undo.");
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166 | for (std::vector<atomId_t>::const_iterator iter = newids.begin(); iter != newids.end();++iter)
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167 | World::getInstance().destroyAtom(*iter);
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168 | return Action::failure;
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169 | }
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170 | return ActionState::ptr(_state);
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171 | }
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172 |
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173 | bool AtomAddAction::canUndo() {
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174 | return true;
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175 | }
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176 |
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177 | bool AtomAddAction::shouldUndo() {
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178 | return true;
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179 | }
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180 | /** =========== end of function ====================== */
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