| 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 | ActionState::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 | STATUS("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 | STATUS("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 ActionState::ptr(UndoState);
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| 79 | }
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| 80 |
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| 81 | ActionState::ptr BondRemoveAction::performUndo(ActionState::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 ActionState::ptr(_state);
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| 98 | }
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| 99 |
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| 100 | ActionState::ptr BondRemoveAction::performRedo(ActionState::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 ActionState::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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