| [f63e41] | 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 | * BondAddAction.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Nov 12, 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/BondAddAction.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 "BondAddAction.def" | 
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|  | 55 | #include "Action_impl_pre.hpp" | 
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|  | 56 | /** =========== define the function ====================== */ | 
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| [b5b01e] | 57 | ActionState::ptr BondAddAction::performCall() { | 
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| [f63e41] | 58 | // check preconditions | 
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|  | 59 | if (World::getInstance().countSelectedAtoms() != 2) { | 
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| [26b4d62] | 60 | STATUS("Exactly two atoms must be selected for BondAction Add."); | 
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| [f63e41] | 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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| [26b4d62] | 65 | STATUS("There already is a bond in between the two selected atoms."); | 
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| [f63e41] | 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 | BondAddState *UndoState = new BondAddState(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]->addBond(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 | "BondAddAction::performCall() - adding 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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| [b5b01e] | 78 | return ActionState::ptr(UndoState); | 
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| [f63e41] | 79 | } | 
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|  | 80 |  | 
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| [b5b01e] | 81 | ActionState::ptr BondAddAction::performUndo(ActionState::ptr _state) { | 
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| [f63e41] | 82 | BondAddState *state = assert_cast<BondAddState*>(_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 | "BondAddAction::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->removeBond(WorldTime::getTime(), second); | 
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|  | 92 | } else { | 
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|  | 93 | ELOG(2, "There is no 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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| [b5b01e] | 97 | return ActionState::ptr(_state); | 
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| [f63e41] | 98 | } | 
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|  | 99 |  | 
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| [b5b01e] | 100 | ActionState::ptr BondAddAction::performRedo(ActionState::ptr _state){ | 
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| [f63e41] | 101 | BondAddState *state = assert_cast<BondAddState*>(_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 | "BondAddAction::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->addBond(WorldTime::getTime(), second); | 
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|  | 111 | } else { | 
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|  | 112 | ELOG(2, "There is already a 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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| [b5b01e] | 116 | return ActionState::ptr(_state); | 
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| [f63e41] | 117 | } | 
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|  | 118 |  | 
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|  | 119 | bool BondAddAction::canUndo() { | 
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|  | 120 | return true; | 
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|  | 121 | } | 
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|  | 122 |  | 
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|  | 123 | bool BondAddAction::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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