| [c449d9] | 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)  2010 University of Bonn. All rights reserved. | 
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|  | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | /* | 
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| [d4a44c] | 9 | * CreateAdjacencyAction.cpp | 
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| [c449d9] | 10 | * | 
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|  | 11 | *  Created on: May 9, 2010 | 
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|  | 12 | *      Author: heber | 
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|  | 13 | */ | 
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|  | 14 |  | 
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|  | 15 | // include config.h | 
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|  | 16 | #ifdef HAVE_CONFIG_H | 
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|  | 17 | #include <config.h> | 
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|  | 18 | #endif | 
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|  | 19 |  | 
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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [c449d9] | 21 |  | 
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| [ad011c] | 22 | #include "CodePatterns/Log.hpp" | 
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| [fa9d1d] | 23 |  | 
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|  | 24 | #include "Descriptors/AtomSelectionDescriptor.hpp" | 
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| [129204] | 25 | #include "Graph/BondGraph.hpp" | 
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| [c449d9] | 26 | #include "molecule.hpp" | 
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|  | 27 | #include "World.hpp" | 
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|  | 28 |  | 
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|  | 29 | #include <iostream> | 
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| [34c43a] | 30 | #include <list> | 
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| [c449d9] | 31 | #include <string> | 
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|  | 32 |  | 
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| [d09093] | 33 | #include "Actions/GraphAction/CreateAdjacencyAction.hpp" | 
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| [c449d9] | 34 |  | 
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| [ce7fdc] | 35 | using namespace MoleCuilder; | 
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|  | 36 |  | 
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| [c449d9] | 37 | // and construct the stuff | 
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| [d4a44c] | 38 | #include "CreateAdjacencyAction.def" | 
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| [c449d9] | 39 | #include "Action_impl_pre.hpp" | 
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|  | 40 | /** =========== define the function ====================== */ | 
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| [d09093] | 41 | Action::state_ptr GraphCreateAdjacencyAction::performCall() { | 
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| [c449d9] | 42 | // obtain information | 
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|  | 43 | getParametersfromValueStorage(); | 
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|  | 44 |  | 
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| [f71baf] | 45 | BondGraph *BG = World::getInstance().getBondGraph(); | 
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| [d09093] | 46 | ASSERT(BG != NULL, "GraphCreateAdjacencyAction: BondGraph is NULL."); | 
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| [fa9d1d] | 47 |  | 
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|  | 48 | World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection()); | 
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|  | 49 | BG->CreateAdjacency(Set); | 
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|  | 50 |  | 
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|  | 51 | size_t BondCount = 0; | 
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|  | 52 | std::vector<molecule *> molecules = World::getInstance().getAllMolecules(); | 
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|  | 53 | for (std::vector<molecule *>::const_iterator iter = molecules.begin(); | 
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|  | 54 | iter != molecules.end(); ++iter) | 
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|  | 55 | BondCount += (*iter)->getBondCount(); | 
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|  | 56 | LOG(0, "STATUS: Recognized " << BondCount << " bonds."); | 
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| [c449d9] | 57 |  | 
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|  | 58 | return Action::success; | 
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|  | 59 | } | 
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|  | 60 |  | 
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| [d09093] | 61 | Action::state_ptr GraphCreateAdjacencyAction::performUndo(Action::state_ptr _state) { | 
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|  | 62 | //  GraphCreateAdjacencyState *state = assert_cast<GraphCreateAdjacencyState*>(_state.get()); | 
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| [c449d9] | 63 |  | 
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|  | 64 | return Action::success; | 
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|  | 65 | } | 
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|  | 66 |  | 
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| [d09093] | 67 | Action::state_ptr GraphCreateAdjacencyAction::performRedo(Action::state_ptr _state){ | 
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| [c449d9] | 68 | return Action::success; | 
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|  | 69 | } | 
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|  | 70 |  | 
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| [d09093] | 71 | bool GraphCreateAdjacencyAction::canUndo() { | 
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| [c449d9] | 72 | return false; | 
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|  | 73 | } | 
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|  | 74 |  | 
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| [d09093] | 75 | bool GraphCreateAdjacencyAction::shouldUndo() { | 
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| [c449d9] | 76 | return false; | 
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|  | 77 | } | 
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|  | 78 | /** =========== end of function ====================== */ | 
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