| 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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| 5 |  * Copyright (C)  2013 Frederik Heber. All rights reserved.
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| 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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| 36 | #include "CodePatterns/MemDebug.hpp"
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| 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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| 67 | Action::state_ptr GraphDestroyAdjacencyAction::performCall() {
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| 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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| 72 |   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
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| 73 |   if (Set.empty()) {
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| 74 |     ELOG(2, "No atoms selected.");
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| 75 |     return Action::failure;
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| 76 |   }
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| 77 | 
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| 78 |   // count all present bonds
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| 79 |   std::vector<BondInfo_t> bonds;
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| 80 |   {
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| 81 |     size_t count_bonds = 0;
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| 82 |     for (World::AtomComposite::const_iterator iter = Set.begin();
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| 83 |         iter != Set.end();
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| 84 |         ++iter) {
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| 85 |       const atom * const Walker = *iter;
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| 86 |       count_bonds += Walker->getListOfBonds().size();
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| 87 |     }
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| 88 |     bonds.reserve(count_bonds/2);
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| 89 |   }
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| 90 |   // Storing undo info
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| 91 |   for (World::AtomComposite::const_iterator iter = Set.begin();
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| 92 |       iter != Set.end();
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| 93 |       ++iter) {
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| 94 |     const atom * const Walker = *iter;
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| 95 |     const BondList& ListOfBonds = Walker->getListOfBonds();
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| 96 |     for (BondList::const_iterator bonditer = ListOfBonds.begin();
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| 97 |         bonditer != ListOfBonds.end();
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| 98 |         ++bonditer) {
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| 99 |       const bond::ptr &CurrentBond = *bonditer;
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| 100 |       // if both atoms are in selected set, we check ids otherwise not
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| 101 |       if (((!World::getInstance().isSelected(CurrentBond->leftatom))
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| 102 |           || (!World::getInstance().isSelected(CurrentBond->rightatom)))
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| 103 |           || (CurrentBond->leftatom->getId() < CurrentBond->rightatom->getId())) {
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| 104 |         BondInfo_t BondInfo;
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| 105 |         BondInfo.leftatom = CurrentBond->leftatom->getId();
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| 106 |         BondInfo.rightatom = CurrentBond->rightatom->getId();
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| 107 |         BondInfo.degree = CurrentBond->getDegree();
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| 108 |         bonds.push_back(BondInfo);
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| 109 |       }
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| 110 |     }
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| 111 |   }
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| 112 |   GraphDestroyAdjacencyState *UndoState = new GraphDestroyAdjacencyState(bonds, params);
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| 113 | 
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| 114 |   LOG(0, "STATUS: Clearing the Adjacency.");
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| 115 |   BG->cleanAdjacencyList(Set);
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| 116 | 
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| 117 |   return Action::state_ptr(UndoState);
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| 118 | }
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| 119 | 
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| 120 | Action::state_ptr GraphDestroyAdjacencyAction::performUndo(Action::state_ptr _state) {
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| 121 |   GraphDestroyAdjacencyState *state = assert_cast<GraphDestroyAdjacencyState*>(_state.get());
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| 122 | 
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| 123 |   const size_t CurrentTime = WorldTime::getTime();
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| 124 |   std::vector<BondInfo_t> &bonds = state->bonds;
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| 125 |   for(std::vector<BondInfo_t>::const_iterator iter = bonds.begin();
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| 126 |       iter != bonds.end(); ++iter) {
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| 127 |     atom * const Walker = World::getInstance().getAtom(AtomById(iter->leftatom));
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| 128 |     ASSERT( Walker != NULL,
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| 129 |         "GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->leftatom)+" missing.");
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| 130 |     atom * const OtherWalker = World::getInstance().getAtom(AtomById(iter->rightatom));
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| 131 |     ASSERT( OtherWalker != NULL,
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| 132 |         "GraphDestroyAdjacencyAction::performUndo() - "+toString(iter->rightatom)+" missing.");
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| 133 |     bond::ptr CurrentBond = Walker->addBond(CurrentTime, OtherWalker);
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| 134 |     CurrentBond->setDegree(iter->degree);
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| 135 |   }
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| 136 |   return Action::state_ptr(_state);
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| 137 | }
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| 138 | 
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| 139 | Action::state_ptr GraphDestroyAdjacencyAction::performRedo(Action::state_ptr _state){
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| 140 |   BondGraph *BG = World::getInstance().getBondGraph();
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| 141 |   ASSERT(BG != NULL, "GraphDestroyAdjacencyAction: BondGraph is NULL.");
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| 142 | 
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| 143 |   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
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| 144 |   BG->cleanAdjacencyList(Set);
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| 145 | 
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| 146 |   return Action::state_ptr(_state);
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| 147 | }
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| 148 | 
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| 149 | bool GraphDestroyAdjacencyAction::canUndo() {
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| 150 |   return true;
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| 151 | }
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| 152 | 
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| 153 | bool GraphDestroyAdjacencyAction::shouldUndo() {
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| 154 |   return true;
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| 155 | }
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| 156 | /** =========== end of function ====================== */
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