| 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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