source: src/Descriptors/AtomTypeDescriptor.cpp@ ff4fff9

CombiningParticlePotentialParsing
Last change on this file since ff4fff9 was 795c0f, checked in by Frederik Heber <heber@…>, 9 years ago

World::getAtoms() now has const versions as well.

  • this in turn required to adapt all AtomDescriptors and some fixes, e.g. predicate is now const member and works on const atom ptr.
  • Property mode set to 100644
File size: 1.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * AtomTypeDescriptor_impl.cpp
25 *
26 * Created on: Feb 25, 2010
27 * Author: crueger
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include "Descriptors/AtomTypeDescriptor.hpp"
38#include "Descriptors/AtomTypeDescriptor_impl.hpp"
39
40#include "Atom/atom.hpp"
41#include "World.hpp"
42#include "Element/periodentafel.hpp"
43
44AtomTypeDescriptor_impl::AtomTypeDescriptor_impl(const element* _type) :
45 type(_type)
46{}
47
48AtomTypeDescriptor_impl::~AtomTypeDescriptor_impl()
49{}
50
51bool AtomTypeDescriptor_impl::predicate(std::pair<atomId_t,const atom*> atom) const {
52 return (atom.second->getType()==type);
53}
54
55AtomDescriptor AtomByType(const element *elem){
56 return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomTypeDescriptor_impl(elem)));
57}
58
59AtomDescriptor AtomByType(int Z){
60 const element * elem = World::getInstance().getPeriode()->FindElement(Z);
61 return AtomByType(elem);
62}
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