| [560cbf] | 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)  2013 University of Bonn. All rights reserved. | 
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| [5aaa43] | 5 | * Copyright (C)  2013 Frederik Heber. All rights reserved. | 
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| [560cbf] | 6 | * | 
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|  | 7 | * | 
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|  | 8 | *   This file is part of MoleCuilder. | 
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|  | 9 | * | 
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|  | 10 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 11 | *    it under the terms of the GNU General Public License as published by | 
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|  | 12 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 13 | *    (at your option) any later version. | 
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|  | 14 | * | 
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|  | 15 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 16 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 17 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 18 | *    GNU General Public License for more details. | 
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|  | 19 | * | 
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|  | 20 | *    You should have received a copy of the GNU General Public License | 
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|  | 21 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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|  | 22 | */ | 
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|  | 23 |  | 
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|  | 24 | /* | 
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|  | 25 | * DestroyAdjacencyAction.cpp | 
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|  | 26 | * | 
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|  | 27 | *  Created on: May 1, 2013 | 
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|  | 28 | *      Author: heber | 
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|  | 29 | */ | 
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|  | 30 |  | 
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|  | 31 | // include config.h | 
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|  | 32 | #ifdef HAVE_CONFIG_H | 
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|  | 33 | #include <config.h> | 
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|  | 34 | #endif | 
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|  | 35 |  | 
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| [9eb71b3] | 36 | //#include "CodePatterns/MemDebug.hpp" | 
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| [560cbf] | 37 |  | 
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|  | 38 | #include "CodePatterns/Assert.hpp" | 
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|  | 39 | #include "CodePatterns/Log.hpp" | 
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|  | 40 |  | 
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|  | 41 | #include "Atom/atom.hpp" | 
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|  | 42 | #include "Descriptors/AtomIdDescriptor.hpp" | 
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|  | 43 | #include "Descriptors/AtomSelectionDescriptor.hpp" | 
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|  | 44 | #include "Graph/BondGraph.hpp" | 
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|  | 45 | #include "World.hpp" | 
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|  | 46 | #include "WorldTime.hpp" | 
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|  | 47 |  | 
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|  | 48 | #include <iostream> | 
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|  | 49 | #include <list> | 
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|  | 50 | #include <string> | 
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|  | 51 |  | 
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|  | 52 | #include "Actions/GraphAction/DestroyAdjacencyAction.hpp" | 
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|  | 53 |  | 
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|  | 54 | using namespace MoleCuilder; | 
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|  | 55 |  | 
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|  | 56 | // Storing undo state | 
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|  | 57 | struct BondInfo_t { | 
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|  | 58 | atomId_t leftatom; | 
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|  | 59 | atomId_t rightatom; | 
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|  | 60 | size_t degree; | 
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|  | 61 | }; | 
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|  | 62 |  | 
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|  | 63 | // and construct the stuff | 
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|  | 64 | #include "DestroyAdjacencyAction.def" | 
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|  | 65 | #include "Action_impl_pre.hpp" | 
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|  | 66 | /** =========== define the function ====================== */ | 
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| [b5b01e] | 67 | ActionState::ptr GraphDestroyAdjacencyAction::performCall() { | 
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| [560cbf] | 68 | BondGraph *BG = World::getInstance().getBondGraph(); | 
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|  | 69 | ASSERT(BG != NULL, "GraphDestroyAdjacencyAction: BondGraph is NULL."); | 
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|  | 70 |  | 
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|  | 71 | // check precondition | 
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| [a58c16] | 72 | World::ConstAtomComposite Set = const_cast<const World &>(World::getInstance()). | 
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|  | 73 | getAllAtoms(AtomsBySelection()); | 
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| [560cbf] | 74 | if (Set.empty()) { | 
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| [26b4d62] | 75 | STATUS("No atoms selected."); | 
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| [560cbf] | 76 | return Action::failure; | 
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|  | 77 | } | 
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|  | 78 |  | 
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|  | 79 | // count all present bonds | 
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|  | 80 | std::vector<BondInfo_t> bonds; | 
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|  | 81 | { | 
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|  | 82 | size_t count_bonds = 0; | 
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| [a58c16] | 83 | for (World::ConstAtomComposite::const_iterator iter = Set.begin(); | 
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| [560cbf] | 84 | iter != Set.end(); | 
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|  | 85 | ++iter) { | 
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|  | 86 | const atom * const Walker = *iter; | 
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|  | 87 | count_bonds += Walker->getListOfBonds().size(); | 
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|  | 88 | } | 
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|  | 89 | bonds.reserve(count_bonds/2); | 
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|  | 90 | } | 
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|  | 91 | // Storing undo info | 
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| [a58c16] | 92 | for (World::ConstAtomComposite::const_iterator iter = Set.begin(); | 
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| [560cbf] | 93 | iter != Set.end(); | 
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|  | 94 | ++iter) { | 
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|  | 95 | const atom * const Walker = *iter; | 
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|  | 96 | const BondList& ListOfBonds = Walker->getListOfBonds(); | 
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|  | 97 | for (BondList::const_iterator bonditer = ListOfBonds.begin(); | 
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|  | 98 | bonditer != ListOfBonds.end(); | 
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|  | 99 | ++bonditer) { | 
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|  | 100 | const bond::ptr &CurrentBond = *bonditer; | 
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|  | 101 | // if both atoms are in selected set, we check ids otherwise not | 
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|  | 102 | if (((!World::getInstance().isSelected(CurrentBond->leftatom)) | 
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|  | 103 | || (!World::getInstance().isSelected(CurrentBond->rightatom))) | 
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|  | 104 | || (CurrentBond->leftatom->getId() < CurrentBond->rightatom->getId())) { | 
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|  | 105 | BondInfo_t BondInfo; | 
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|  | 106 | BondInfo.leftatom = CurrentBond->leftatom->getId(); | 
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|  | 107 | BondInfo.rightatom = CurrentBond->rightatom->getId(); | 
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| [1f693d] | 108 | BondInfo.degree = CurrentBond->getDegree(); | 
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| [560cbf] | 109 | bonds.push_back(BondInfo); | 
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|  | 110 | } | 
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|  | 111 | } | 
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|  | 112 | } | 
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|  | 113 | GraphDestroyAdjacencyState *UndoState = new GraphDestroyAdjacencyState(bonds, params); | 
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|  | 114 |  | 
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|  | 115 | LOG(0, "STATUS: Clearing the Adjacency."); | 
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| [a58c16] | 116 | { | 
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|  | 117 | World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); | 
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|  | 118 | BG->cleanAdjacencyList(Set); | 
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|  | 119 | } | 
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| [560cbf] | 120 |  | 
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| [b5b01e] | 121 | return ActionState::ptr(UndoState); | 
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| [560cbf] | 122 | } | 
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|  | 123 |  | 
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| [b5b01e] | 124 | ActionState::ptr GraphDestroyAdjacencyAction::performUndo(ActionState::ptr _state) { | 
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| [560cbf] | 125 | GraphDestroyAdjacencyState *state = assert_cast<GraphDestroyAdjacencyState*>(_state.get()); | 
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|  | 126 |  | 
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|  | 127 | const size_t CurrentTime = WorldTime::getTime(); | 
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|  | 128 | std::vector<BondInfo_t> &bonds = state->bonds; | 
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|  | 129 | for(std::vector<BondInfo_t>::const_iterator iter = bonds.begin(); | 
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|  | 130 | iter != bonds.end(); ++iter) { | 
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|  | 131 | atom * const Walker = World::getInstance().getAtom(AtomById(iter->leftatom)); | 
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|  | 132 | ASSERT( Walker != NULL, | 
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|  | 133 | "GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->leftatom)+" missing."); | 
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|  | 134 | atom * const OtherWalker = World::getInstance().getAtom(AtomById(iter->rightatom)); | 
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|  | 135 | ASSERT( OtherWalker != NULL, | 
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|  | 136 | "GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->rightatom)+" missing."); | 
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|  | 137 | bond::ptr CurrentBond = Walker->addBond(CurrentTime, OtherWalker); | 
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| [1f693d] | 138 | CurrentBond->setDegree(iter->degree); | 
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| [560cbf] | 139 | } | 
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| [b5b01e] | 140 | return ActionState::ptr(_state); | 
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| [560cbf] | 141 | } | 
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|  | 142 |  | 
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| [b5b01e] | 143 | ActionState::ptr GraphDestroyAdjacencyAction::performRedo(ActionState::ptr _state){ | 
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| [560cbf] | 144 | BondGraph *BG = World::getInstance().getBondGraph(); | 
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|  | 145 | ASSERT(BG != NULL, "GraphDestroyAdjacencyAction: BondGraph is NULL."); | 
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|  | 146 |  | 
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|  | 147 | World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); | 
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|  | 148 | BG->cleanAdjacencyList(Set); | 
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|  | 149 |  | 
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| [b5b01e] | 150 | return ActionState::ptr(_state); | 
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| [560cbf] | 151 | } | 
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|  | 152 |  | 
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|  | 153 | bool GraphDestroyAdjacencyAction::canUndo() { | 
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|  | 154 | return true; | 
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|  | 155 | } | 
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|  | 156 |  | 
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|  | 157 | bool GraphDestroyAdjacencyAction::shouldUndo() { | 
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|  | 158 | return true; | 
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|  | 159 | } | 
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|  | 160 | /** =========== end of function ====================== */ | 
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