votca 2024.2-dev
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residue.h
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1/*
2 * Copyright 2009-2020 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#pragma once
18#ifndef VOTCA_CSG_RESIDUE_H
19#define VOTCA_CSG_RESIDUE_H
20
21// Standard includes
22#include <string>
23
24namespace votca {
25namespace csg {
26
35class Residue {
36 public:
38 const std::string &getName() const;
39
41 Index getId() const { return id_; }
42
43 private:
45 std::string name_;
46
48 Residue(Index id, const std::string &name) : id_(id), name_(name) {}
49 friend class Topology;
50};
51
52inline const std::string &Residue::getName() const { return name_; }
53
54} // namespace csg
55} // namespace votca
56
57#endif // VOTCA_CSG_RESIDUE_H
class for a residue
Definition residue.h:35
Residue(Index id, const std::string &name)
constructor
Definition residue.h:48
Index getId() const
get the name of the residue
Definition residue.h:41
const std::string & getName() const
get the name of the residue
Definition residue.h:52
std::string name_
Definition residue.h:45
topology of the whole system
Definition topology.h:81
base class for all analysis tools
Definition basebead.h:33
Eigen::Index Index
Definition types.h:26