[bcf653] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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[94d5ac6] | 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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[bcf653] | 21 | */
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| 22 |
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[97ebf8] | 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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[bf3817] | 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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[ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
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[112b09] | 36 |
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[ea2830] | 37 | #include "Descriptors/AtomIdDescriptor.hpp"
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[6f0841] | 38 | #include "Atom/atom.hpp"
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[3bdb6d] | 39 | #include "Element/element.hpp"
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[ad011c] | 40 | #include "CodePatterns/Log.hpp"
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[f0a3ec] | 41 | #include "molecule.hpp"
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[57f243] | 42 | #include "LinearAlgebra/Vector.hpp"
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[ad011c] | 43 | #include "CodePatterns/Verbose.hpp"
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[97ebf8] | 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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[8bb05e] | 49 | #include "Actions/AtomAction/AddAction.hpp"
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[9d33ba] | 50 |
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[ce7fdc] | 51 | using namespace MoleCuilder;
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| 52 |
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[8bb05e] | 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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[ceaab1] | 57 |
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| 58 | atom * getNewAtom(const AtomAddAction::AtomAddParameters &_params)
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| 59 | {
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[85537a] | 60 | atom * first = World::getInstance().createAtom();
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[ceaab1] | 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 | std::vector<atomId_t> createAtoms(
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| 68 | const AtomAddAction::AtomAddParameters &_params,
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| 69 | std::vector<molecule *> &_molecules)
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| 70 | {
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| 71 | std::vector<atomId_t> ids;
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| 72 | if (!_molecules.empty()) {
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| 73 | if (_molecules.size() == 1) {
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| 74 | atom *first = getNewAtom(_params);
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| 75 | molecule *mol = *_molecules.begin();
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| 76 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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| 77 | << " at " << (first->getPosition()) << " to selected molecule "
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| 78 | << mol->getName()+".");
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| 79 | mol->AddAtom(first);
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| 80 | ids.push_back(first->getId());
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| 81 | }
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| 82 | } else {
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| 83 | atom *first = getNewAtom(_params);
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| 84 | molecule *mol = World::getInstance().createMolecule();
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| 85 | mol->setName("none");
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| 86 | mol->AddAtom(first);
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| 87 | LOG(1, "Adding new atom with element " << first->getType()->getName()
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| 88 | << " at " << (first->getPosition()) << " to new molecule.");
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| 89 | ids.push_back(first->getId());
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[97ebf8] | 90 | }
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[ceaab1] | 91 |
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| 92 | return ids;
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| 93 | }
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| 94 |
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| 95 | ActionState::ptr AtomAddAction::performCall() {
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| 96 | // execute action
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| 97 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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| 98 | std::vector<atomId_t> ids = createAtoms(params, molecules);
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| 99 |
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| 100 | if (molecules.size() > 1)
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| 101 | return Action::failure;
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| 102 | else
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| 103 | return ActionState::ptr(new AtomAddState(ids, params));
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[97ebf8] | 104 | }
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| 105 |
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[b5b01e] | 106 | ActionState::ptr AtomAddAction::performUndo(ActionState::ptr _state) {
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[ea2830] | 107 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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[97ebf8] | 108 |
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[ceaab1] | 109 | for (std::vector<atomId_t>::const_iterator iter = state->ids.begin();
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| 110 | iter != state->ids.end(); ++iter) {
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| 111 | LOG(1, "Removing atom with id " << *iter << ".");
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| 112 | World::getInstance().destroyAtom(*iter);
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| 113 | }
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[ea2830] | 114 |
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[b5b01e] | 115 | return ActionState::ptr(_state);
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[97ebf8] | 116 | }
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| 117 |
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[b5b01e] | 118 | ActionState::ptr AtomAddAction::performRedo(ActionState::ptr _state){
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[ea2830] | 119 | AtomAddState *state = assert_cast<AtomAddState*>(_state.get());
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| 120 |
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[ceaab1] | 121 | std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
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| 122 | std::vector<atomId_t> newids = createAtoms(params, molecules);
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| 123 |
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| 124 | if (newids.size() != state->ids.size()) {
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| 125 | STATUS("Could not recreate all atoms after undo.");
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| 126 | for (std::vector<atomId_t>::const_iterator iter = newids.begin(); iter != newids.end();++iter)
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| 127 | World::getInstance().destroyAtom(*iter);
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| 128 | return Action::failure;
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[ea2830] | 129 | }
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[26b4d62] | 130 |
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[ceaab1] | 131 | std::vector<atomId_t>::const_iterator newiter = newids.begin();
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| 132 | std::vector<atomId_t>::const_iterator olditer = state->ids.begin();
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| 133 | bool status=true;
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| 134 | for (; newiter != newids.end(); ++newiter, ++olditer) {
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| 135 | atom * first = World::getInstance().getAtom(AtomById(*newiter));
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| 136 | ASSERT( first != NULL,
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| 137 | "AtomAddAction::performRedo() - re-created atom not present?");
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| 138 | if (first->getId() != *olditer)
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| 139 | if (!first->changeId(*olditer)) {
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| 140 | STATUS("Could not change atom id "+toString(first->getId())+"->"+toString(*olditer)+".");
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| 141 | // remove all created atoms
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| 142 | for (std::vector<atomId_t>::const_iterator iter = state->ids.begin(); iter != olditer;++iter)
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| 143 | World::getInstance().destroyAtom(*iter);
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| 144 | olditer = state->ids.end();
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| 145 | for (std::vector<atomId_t>::const_iterator iter = newiter; iter != newids.end();++iter)
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| 146 | World::getInstance().destroyAtom(*iter);
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| 147 | status = false;
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| 148 | break;
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| 149 | }
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| 150 | }
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| 151 | ASSERT( olditer == state->ids.end(),
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| 152 | "AtomAddAction::performRedo() - after all unequal amount of ids in new and old?");
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| 153 |
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| 154 | if (!status) {
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| 155 | return Action::failure;
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| 156 | } else
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| 157 | return ActionState::ptr(_state);
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[97ebf8] | 158 | }
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| 159 |
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| 160 | bool AtomAddAction::canUndo() {
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[ea2830] | 161 | return true;
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[97ebf8] | 162 | }
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| 163 |
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| 164 | bool AtomAddAction::shouldUndo() {
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[ea2830] | 165 | return true;
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[97ebf8] | 166 | }
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[8bb05e] | 167 | /** =========== end of function ====================== */
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