boundarycondition.h

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/*
 * Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
 *
 * Licensed under the Apache License, Version 2.0 (the "License");
 * you may not use this file except in compliance with the License.
 * You may obtain a copy of the License at
 *
 *     http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */
#ifndef VOTCA_CSG_BOUNDARYCONDITION_H
#define VOTCA_CSG_BOUNDARYCONDITION_H
#pragma once
 
// Standard includes
#include <memory>
 
// VOTCA includes
#include <votca/tools/eigen.h>
 
namespace votca {
namespace csg {
 
class BoundaryCondition {
 
 public:
  virtual ~BoundaryCondition() = default;
 
  virtual std::unique_ptr<BoundaryCondition> Clone() const = 0;
 
  void setBox(const Eigen::Matrix3d &box) noexcept { box_ = box; };
 
  const Eigen::Matrix3d &getBox() const noexcept { return box_; };
 
  double getShortestBoxDimension() const;
 
  virtual double BoxVolume() const noexcept;
 
  virtual Eigen::Vector3d BCShortestConnection(
      const Eigen::Vector3d &r_i, const Eigen::Vector3d &r_j) const = 0;
 
  enum eBoxtype { typeAuto = 0, typeTriclinic, typeOrthorhombic, typeOpen };
  virtual eBoxtype getBoxType() const noexcept = 0;
 
 protected:
  Eigen::Matrix3d box_;
};
 
}  // namespace csg
}  // namespace votca
 
#endif  // VOTCA_CSG_BOUNDARYCONDITION_H