map.h

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/*
 * Copyright 2009-2021 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_MAP_H
#define VOTCA_CSG_MAP_H
#pragma once
 
// Standard includes
#include <memory>
#include <vector>
 
// VOTCA includes
#include <votca/tools/eigen.h>
#include <votca/tools/property.h>
 
// Local VOTCA includes
#include "boundarycondition.h"
#include "molecule.h"
 
namespace votca {
namespace csg {
 
enum class BeadMapType { Spherical, Ellipsoidal };
 
/*******************************************************
    Interface for all maps
*******************************************************/
class BeadMap {
 public:
  BeadMap() = default;
  virtual ~BeadMap() = default;
  virtual void Apply(const BoundaryCondition &) = 0;
  virtual void Initialize(const Molecule *in, Bead *out,
                          tools::Property *opts_bead,
                          tools::Property *opts_map) = 0;
 
 protected:
  const Molecule *in_;
  Bead *out_;
  tools::Property *opts_map_;
  tools::Property *opts_bead_;
};
 
/*******************************************************
    Mapper class, collection of maps
*******************************************************/
class Map {
 public:
  Map(const Molecule &in, Molecule &out) : in_(in), out_(out) {}
  // Move constructor
  Map(Map &&map);
  // Move assignment
  Map &operator=(Map &&map);
  BeadMap *CreateBeadMap(const BeadMapType type);
 
  // void AddBeadMap(BeadMap *bmap) {  maps_.push_back(bmap); }
 
  void Apply(const BoundaryCondition &bc);
 
 protected:
  Molecule in_;
  Molecule out_;
  std::vector<std::unique_ptr<BeadMap>> maps_;
};
 
}  // namespace csg
}  // namespace votca
 
#endif  // VOTCA_CSG_MAP_H