/* * Project: MoleCuilder * Description: creates and alters _atomecular 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 . */ /* * AtomOrderDescriptor.cpp * * Created on: Mar 22, 2012 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "AtomOrderDescriptor.hpp" #include "AtomOrderDescriptor_impl.hpp" #include "Atom/atom.hpp" #include "CodePatterns/Observer/ObservedContainer_impl.hpp" using namespace std; AtomOrderDescriptor_impl::AtomOrderDescriptor_impl(int _id) : id(_id) {} AtomOrderDescriptor_impl::~AtomOrderDescriptor_impl() {} bool AtomOrderDescriptor_impl::predicate(std::pair _atom) { atom *Walker = find(); return (Walker == _atom.second); } AtomDescriptor AtomByOrder(int id){ return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomOrderDescriptor_impl(id))); } World::AtomSet& AtomOrderDescriptor_impl::getAtoms() { return World::getInstance().atoms; } atom *AtomOrderDescriptor_impl::find(){ World::AtomSet &atoms = getAtoms(); int i=0; atom *_atom = NULL; if (id == 0) { return NULL; } else if (id > 0) { World::AtomSet::internal_iterator res = atoms.begin_internal(); for (; res != atoms.end_internal(); ++res) { // when iterator is normal, ++ goes forward! ++i; if (id == i) { _atom = res->second; break; } } } else { World::AtomSet::reverse_internal_iterator res = atoms.rbegin_internal(); for (; res != atoms.rend_internal(); ++res) { // when iterator is reverse, ++ goes backward! --i; if (id == i) { _atom = res->second; break; } } } return _atom; } vector AtomOrderDescriptor_impl::findAll(){ atom *res = find(); return (res)?(vector(1,res)):(vector()); }