votca 2024.2-dev
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triclinicbox.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#pragma once
18#ifndef VOTCA_CSG_TRICLINICBOX_H
19#define VOTCA_CSG_TRICLINICBOX_H
20
21// Local VOTCA includes
22#include "boundarycondition.h"
23
24namespace votca {
25namespace csg {
26
28
29 public:
30 Eigen::Vector3d BCShortestConnection(const Eigen::Vector3d &r_i,
31 const Eigen::Vector3d &r_j) const final;
32
33 virtual std::unique_ptr<BoundaryCondition> Clone() const final {
34 return std::unique_ptr<BoundaryCondition>(new TriclinicBox(*this));
35 }
36
37 eBoxtype getBoxType() const noexcept final { return typeTriclinic; }
38
39 protected:
40};
41
42} // namespace csg
43} // namespace votca
44
45#endif // VOTCA_CSG_TRICLINICBOX_H
Class keeps track of how the boundaries of the system are handled.
eBoxtype getBoxType() const noexcept final
Eigen::Vector3d BCShortestConnection(const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const final
virtual std::unique_ptr< BoundaryCondition > Clone() const final
Safe way to allow child classes to be copied.
base class for all analysis tools
Definition basebead.h:33