| [bcf653] | 1 | /* | 
|---|
|  | 2 | * Project: MoleCuilder | 
|---|
|  | 3 | * Description: creates and alters molecular systems | 
|---|
| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
|---|
| [bcf653] | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
|---|
|  | 6 | */ | 
|---|
|  | 7 |  | 
|---|
| [51769f] | 8 | /* | 
|---|
|  | 9 | * MoleculeByFormulaAction.cpp | 
|---|
|  | 10 | * | 
|---|
|  | 11 | *  Created on: May 12, 2010 | 
|---|
|  | 12 | *      Author: heber | 
|---|
|  | 13 | */ | 
|---|
|  | 14 |  | 
|---|
|  | 15 | // include config.h | 
|---|
|  | 16 | #ifdef HAVE_CONFIG_H | 
|---|
|  | 17 | #include <config.h> | 
|---|
|  | 18 | #endif | 
|---|
|  | 19 |  | 
|---|
| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
|---|
| [51769f] | 21 |  | 
|---|
|  | 22 | #include "Descriptors/MoleculeFormulaDescriptor.hpp" | 
|---|
| [92d756] | 23 | #include "Descriptors/MoleculeSelectionDescriptor.hpp" | 
|---|
| [51769f] | 24 | #include "molecule.hpp" | 
|---|
| [ad011c] | 25 | #include "CodePatterns/Log.hpp" | 
|---|
|  | 26 | #include "CodePatterns/Verbose.hpp" | 
|---|
| [51769f] | 27 | #include "World.hpp" | 
|---|
|  | 28 |  | 
|---|
| [92d756] | 29 | #include <boost/foreach.hpp> | 
|---|
| [51769f] | 30 | #include <iostream> | 
|---|
|  | 31 | #include <string> | 
|---|
|  | 32 |  | 
|---|
| [125002] | 33 | #include "MoleculeByFormulaAction.hpp" | 
|---|
| [51769f] | 34 |  | 
|---|
| [ce7fdc] | 35 | using namespace MoleCuilder; | 
|---|
|  | 36 |  | 
|---|
| [1fd675] | 37 | // and construct the stuff | 
|---|
|  | 38 | #include "MoleculeByFormulaAction.def" | 
|---|
|  | 39 | #include "Action_impl_pre.hpp" | 
|---|
|  | 40 | /** =========== define the function ====================== */ | 
|---|
| [51769f] | 41 | Action::state_ptr SelectionMoleculeByFormulaAction::performCall() { | 
|---|
| [47d041] | 42 | LOG(1, "Selecting molecules with chemical formula " << params.formula << ":"); | 
|---|
| [92d756] | 43 | //  std::vector<molecule *> matchingMolecules = World::getInstance().getAllMolecules(MoleculeByFormula(params.formula)); | 
|---|
|  | 44 | std::vector<molecule *> selectedMolecules = | 
|---|
|  | 45 | World::getInstance().getAllMolecules(MoleculesBySelection() && MoleculeByFormula(params.formula)); | 
|---|
|  | 46 | //  BOOST_FOREACH(molecule *mol, matchingMolecules) | 
|---|
| [47d041] | 47 | //    LOG(1, "\t" << mol->getId() << ", " << mol->getName() << "."); | 
|---|
| [1fd675] | 48 | World::getInstance().selectAllMolecules(MoleculeByFormula(params.formula)); | 
|---|
| [47d041] | 49 | LOG(0, World::getInstance().countSelectedMolecules() << " molecules selected."); | 
|---|
| [1fd675] | 50 | return Action::state_ptr(new SelectionMoleculeByFormulaState(selectedMolecules,params)); | 
|---|
| [51769f] | 51 | } | 
|---|
|  | 52 |  | 
|---|
|  | 53 | Action::state_ptr SelectionMoleculeByFormulaAction::performUndo(Action::state_ptr _state) { | 
|---|
|  | 54 | SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get()); | 
|---|
|  | 55 |  | 
|---|
| [92d756] | 56 | World::getInstance().unselectAllMolecules(MoleculeByFormula(state->params.formula)); | 
|---|
|  | 57 | BOOST_FOREACH( molecule *mol, state->selectedMolecules) | 
|---|
|  | 58 | World::getInstance().selectMolecule(mol); | 
|---|
| [51769f] | 59 |  | 
|---|
|  | 60 | return Action::state_ptr(_state); | 
|---|
|  | 61 | } | 
|---|
|  | 62 |  | 
|---|
|  | 63 | Action::state_ptr SelectionMoleculeByFormulaAction::performRedo(Action::state_ptr _state){ | 
|---|
|  | 64 | SelectionMoleculeByFormulaState *state = assert_cast<SelectionMoleculeByFormulaState*>(_state.get()); | 
|---|
|  | 65 |  | 
|---|
| [1fd675] | 66 | World::getInstance().selectAllMolecules(MoleculeByFormula(state->params.formula)); | 
|---|
| [51769f] | 67 |  | 
|---|
|  | 68 | return Action::state_ptr(_state); | 
|---|
|  | 69 | } | 
|---|
|  | 70 |  | 
|---|
|  | 71 | bool SelectionMoleculeByFormulaAction::canUndo() { | 
|---|
|  | 72 | return true; | 
|---|
|  | 73 | } | 
|---|
|  | 74 |  | 
|---|
|  | 75 | bool SelectionMoleculeByFormulaAction::shouldUndo() { | 
|---|
|  | 76 | return true; | 
|---|
|  | 77 | } | 
|---|
| [1fd675] | 78 | /** =========== end of function ====================== */ | 
|---|