| [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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