beadlist.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.
 *
 */
 
#pragma once
#ifndef VOTCA_CSG_BEADLIST_H
#define VOTCA_CSG_BEADLIST_H
 
// Standard includes
#include <string>
#include <vector>
 
// VOTCA includes
#include <votca/tools/eigen.h>
#include <votca/tools/types.h>
 
namespace votca {
namespace csg {
class Topology;
class Bead;
 
class BeadList {
 public:
  Index Generate(Topology &top, const std::string &select);
  Index GenerateInSphericalSubvolume(Topology &top, const std::string &select,
                                     Eigen::Vector3d ref, double radius);
 
  Index size() const { return beads_.size(); }
 
  bool empty() const { return beads_.empty(); }
 
  void push_back(Bead *bead) { beads_.push_back(bead); }
 
  using iterator = typename std::vector<Bead *>::iterator;
 
  iterator begin() { return beads_.begin(); }
  iterator end() { return beads_.end(); }
 
  const Topology &getTopology() const { return *topology_; }
 
 private:
  std::vector<Bead *> beads_;
  Topology *topology_ = nullptr;
};
 
}  // namespace csg
}  // namespace votca
 
#endif  // VOTCA_CSG_BEADLIST_H