| 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)  2010-2012 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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| 9 |  * MoleculeByFormulaAction.cpp
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| 10 |  *
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| 11 |  *  Created on: May 12, 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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| 20 | #include "CodePatterns/MemDebug.hpp"
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| 21 | 
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| 22 | #include "Descriptors/MoleculeFormulaDescriptor.hpp"
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| 23 | #include "Descriptors/MoleculeSelectionDescriptor.hpp"
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| 24 | #include "molecule.hpp"
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| 25 | #include "CodePatterns/Log.hpp"
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| 26 | #include "CodePatterns/Verbose.hpp"
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| 27 | #include "World.hpp"
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| 28 | 
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| 29 | #include <boost/foreach.hpp>
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| 30 | #include <iostream>
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| 31 | #include <string>
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| 32 | 
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| 33 | #include "MoleculeByFormulaAction.hpp"
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| 34 | 
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| 35 | using namespace MoleCuilder;
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| 36 | 
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| 37 | // and construct the stuff
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| 38 | #include "MoleculeByFormulaAction.def"
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| 39 | #include "Action_impl_pre.hpp"
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| 40 | /** =========== define the function ====================== */
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| 41 | Action::state_ptr SelectionMoleculeByFormulaAction::performCall() {
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| 42 |   LOG(1, "Selecting molecules with chemical formula " << params.formula << ":");
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| 43 | //  std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(params.formula));
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| 44 |   std::vector<molecule *> selectedMolecules =
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| 45 |       World::getInstance().getAllMolecules(MoleculesBySelection() && MoleculeByFormula(params.formula));
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| 46 | //  BOOST_FOREACH(molecule *mol, matchingMolecules)
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| 47 | //    LOG(1, "\t" << mol->getId() << ", " << mol->getName() << ".");
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| 48 |   World::getInstance().selectAllMolecules(MoleculeByFormula(params.formula));
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| 49 |   LOG(0, World::getInstance().countSelectedMolecules() << " molecules selected.");
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| 50 |   return Action::state_ptr(new SelectionMoleculeByFormulaState(selectedMolecules,params));
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| 51 | }
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| 52 | 
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| 53 | Action::state_ptr SelectionMoleculeByFormulaAction::performUndo(Action::state_ptr _state) {
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| 54 |   SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
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| 55 | 
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| 56 |   World::getInstance().unselectAllMolecules(MoleculeByFormula(state->params.formula));
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| 57 |   BOOST_FOREACH( molecule *mol, state->selectedMolecules)
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| 58 |     World::getInstance().selectMolecule(mol);
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| 59 | 
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| 60 |   return Action::state_ptr(_state);
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| 61 | }
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| 62 | 
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| 63 | Action::state_ptr SelectionMoleculeByFormulaAction::performRedo(Action::state_ptr _state){
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| 64 |   SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get());
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| 65 | 
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| 66 |   World::getInstance().selectAllMolecules(MoleculeByFormula(state->params.formula));
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| 67 | 
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| 68 |   return Action::state_ptr(_state);
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| 69 | }
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| 70 | 
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| 71 | bool SelectionMoleculeByFormulaAction::canUndo() {
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| 72 |   return true;
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| 73 | }
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| 74 | 
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| 75 | bool SelectionMoleculeByFormulaAction::shouldUndo() {
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| 76 |   return true;
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| 77 | }
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| 78 | /** =========== end of function ====================== */
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