votca 2024.2-dev
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moleculeitem.h
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1/*
2 * Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
3 *
4 * Licensed under the Apache License, Version 2.0 (the "License");
5 * you may not use this file except in compliance with the License.
6 * You may obtain a copy of the License at
7 *
8 * http://www.apache.org/licenses/LICENSE-2.0
9 *
10 * Unless required by applicable law or agreed to in writing, software
11 * distributed under the License is distributed on an "AS IS" BASIS,
12 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
13 * See the License for the specific language governing permissions and
14 * limitations under the License.
15 *
16 */
17
18#ifndef VOTCA_CSG_MOLECULEITEM_H
19#define VOTCA_CSG_MOLECULEITEM_H
20
21// Standard includes
22#include <cassert>
23
24namespace votca {
25namespace csg {
26
27class Molecule;
28
30 public:
31 virtual ~MoleculeItem() = default;
32
37 assert(mol_ != nullptr);
38 return mol_;
39 }
40
44 void setMolecule(Molecule *mol) { mol_ = mol; }
45
46 protected:
47 MoleculeItem(Molecule *mol) : mol_(mol) {}
48
49 Molecule *mol_ = nullptr;
50
51 friend class BaseBead;
52};
53} // namespace csg
54} // namespace votca
55
56#endif // VOTCA_CSG_MOLECULEITEM_H
information about a base bead
Definition basebead.h:44
void setMolecule(Molecule *mol)
MoleculeItem(Molecule *mol)
virtual ~MoleculeItem()=default
Molecule * getMolecule() const
information about molecules
Definition molecule.h:45
base class for all analysis tools
Definition basebead.h:33