/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010-2012 University of Bonn. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * MoleculeSelectionDescriptor.cpp * * Created on: Jul 16, 2010 * Author: crueger */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "Descriptors/MoleculeSelectionDescriptor.hpp" #include "Descriptors/MoleculeSelectionDescriptor_impl.hpp" #include "Helpers/helpers.hpp" MoleculeSelectionDescriptor_impl::MoleculeSelectionDescriptor_impl(){} MoleculeSelectionDescriptor_impl::~MoleculeSelectionDescriptor_impl(){} bool MoleculeSelectionDescriptor_impl::predicate(const std::pair molecule) const{ return getSelectedMolecules().count(molecule.first); } molecule* MoleculeSelectionDescriptor_impl::find(){ World::MoleculeSet &set = getSelectedMolecules(); World::MoleculeSet::internal_iterator begin = set.begin_internal(); return (begin!=set.end_internal())?(begin->second):0; } const molecule* MoleculeSelectionDescriptor_impl::find() const { const World::MoleculeSet &set = getSelectedMolecules(); World::MoleculeSet::const_iterator begin = set.begin(); return (begin!=set.end())?(begin->second):0; } std::vector MoleculeSelectionDescriptor_impl::findAll(){ std::vector res; World::MoleculeSet &set = getSelectedMolecules(); transform(set.begin_internal(), set.end_internal(), back_inserter(res), _take::get); return res; } std::vector MoleculeSelectionDescriptor_impl::findAll() const { std::vector res; const World::MoleculeSet &set = getSelectedMolecules(); transform(set.begin(), set.end(), back_inserter(res), _take::get); return res; } World::MoleculeSet& MoleculeSelectionDescriptor_impl::getSelectedMolecules(){ return World::getInstance().selectedMolecules; } const World::MoleculeSet& MoleculeSelectionDescriptor_impl::getSelectedMolecules() const{ return World::getInstance().selectedMolecules; } MoleculeDescriptor MoleculesBySelection(){ return MoleculeDescriptor(MoleculeDescriptor::impl_ptr(new MoleculeSelectionDescriptor_impl())); }