| [c449d9] | 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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| [c449d9] | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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| [d4a44c] | 24 | * CreateAdjacencyAction.cpp | 
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| [c449d9] | 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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|  | 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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| [c449d9] | 36 |  | 
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| [ad011c] | 37 | #include "CodePatterns/Log.hpp" | 
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| [fa9d1d] | 38 |  | 
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|  | 39 | #include "Descriptors/AtomSelectionDescriptor.hpp" | 
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| [129204] | 40 | #include "Graph/BondGraph.hpp" | 
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| [c449d9] | 41 | #include "molecule.hpp" | 
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|  | 42 | #include "World.hpp" | 
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|  | 43 |  | 
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|  | 44 | #include <iostream> | 
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| [34c43a] | 45 | #include <list> | 
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| [c449d9] | 46 | #include <string> | 
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|  | 47 |  | 
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| [d09093] | 48 | #include "Actions/GraphAction/CreateAdjacencyAction.hpp" | 
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| [c449d9] | 49 |  | 
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| [ce7fdc] | 50 | using namespace MoleCuilder; | 
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|  | 51 |  | 
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| [c449d9] | 52 | // and construct the stuff | 
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| [d4a44c] | 53 | #include "CreateAdjacencyAction.def" | 
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| [c449d9] | 54 | #include "Action_impl_pre.hpp" | 
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|  | 55 | /** =========== define the function ====================== */ | 
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| [d09093] | 56 | Action::state_ptr GraphCreateAdjacencyAction::performCall() { | 
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| [f71baf] | 57 | BondGraph *BG = World::getInstance().getBondGraph(); | 
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| [d09093] | 58 | ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL."); | 
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| [fa9d1d] | 59 |  | 
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|  | 60 | World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); | 
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|  | 61 | BG->CreateAdjacency(Set); | 
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|  | 62 |  | 
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|  | 63 | size_t BondCount = 0; | 
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|  | 64 | std::vector<molecule *> molecules = World::getInstance().getAllMolecules(); | 
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|  | 65 | for (std::vector<molecule *>::const_iterator iter = molecules.begin(); | 
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|  | 66 | iter != molecules.end(); ++iter) | 
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|  | 67 | BondCount += (*iter)->getBondCount(); | 
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|  | 68 | LOG(0, "STATUS: Recognized " << BondCount << " bonds."); | 
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| [c449d9] | 69 |  | 
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|  | 70 | return Action::success; | 
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|  | 71 | } | 
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|  | 72 |  | 
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| [d09093] | 73 | Action::state_ptr GraphCreateAdjacencyAction::performUndo(Action::state_ptr _state) { | 
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|  | 74 | //  GraphCreateAdjacencyState *state = assert_cast<GraphCreateAdjacencyState*>(_state.get()); | 
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| [c449d9] | 75 |  | 
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|  | 76 | return Action::success; | 
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|  | 77 | } | 
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|  | 78 |  | 
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| [d09093] | 79 | Action::state_ptr GraphCreateAdjacencyAction::performRedo(Action::state_ptr _state){ | 
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| [c449d9] | 80 | return Action::success; | 
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|  | 81 | } | 
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|  | 82 |  | 
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| [d09093] | 83 | bool GraphCreateAdjacencyAction::canUndo() { | 
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| [c449d9] | 84 | return false; | 
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|  | 85 | } | 
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|  | 86 |  | 
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| [d09093] | 87 | bool GraphCreateAdjacencyAction::shouldUndo() { | 
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| [c449d9] | 88 | return false; | 
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|  | 89 | } | 
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|  | 90 | /** =========== end of function ====================== */ | 
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