triplelist.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_TRIPLELIST_H
#define VOTCA_CSG_TRIPLELIST_H
 
// Standard includes
#include <map>
#include <vector>
 
namespace votca {
namespace csg {
 
template <typename element_type, typename triple_type>
class TripleList {
 public:
  TripleList() = default;
  virtual ~TripleList() { Cleanup(); }
 
  void AddTriple(triple_type *t);
 
  using iterator = typename std::vector<triple_type *>::iterator;
 
  iterator begin() { return triples_.begin(); }
  iterator end() { return triples_.end(); }
  typename std::vector<triple_type *>::size_type size() {
    return triples_.size();
  }
  triple_type *front() { return triples_.front(); }
  triple_type *back() { return triples_.back(); }
  bool empty() { return triples_.empty(); }
 
  void Cleanup();
 
  triple_type *FindTriple(element_type e1, element_type e2, element_type e3);
 
  using element_t = element_type;
  using triple_t = triple_type;
 
 private:
  std::vector<triple_type *> triples_;
 
  std::map<element_type,
           std::map<element_type, std::map<element_type, triple_type *>>>
      triple_map_;
};
 
template <typename element_type, typename triple_type>
inline void TripleList<element_type, triple_type>::AddTriple(triple_type *t) {
  //(*t)[i] gives access to ith element of tuple object (i=0,1,2).
  // only consider the permutations of elements (1,2) of the tuple object ->
  // tuple objects of the form (*,1,2) and (*,2,1) are considered to be the same
  triple_map_[std::get<0>(*t)][std::get<1>(*t)][std::get<2>(*t)] = t;
  triple_map_[std::get<0>(*t)][std::get<2>(*t)][std::get<1>(*t)] = t;
  triples_.push_back(t);
}
 
template <typename element_type, typename triple_type>
inline void TripleList<element_type, triple_type>::Cleanup() {
  for (iterator iter = triples_.begin(); iter != triples_.end(); ++iter) {
    delete *iter;
  }
  triples_.clear();
  triple_map_.clear();
}
 
template <typename element_type, typename triple_type>
inline triple_type *TripleList<element_type, triple_type>::FindTriple(
    element_type e1, element_type e2, element_type e3) {
  typename std::map<
      element_type,
      std::map<element_type, std::map<element_type, triple_type *>>>::iterator
      iter1;
  iter1 = triple_map_.find(e1);
  if (iter1 == triple_map_.end()) {
    return nullptr;
  }
 
  typename std::map<element_type,
                    std::map<element_type, triple_type *>>::iterator iter2;
  iter2 = iter1->second.find(e2);
  if (iter2 == iter1->second.end()) {
    return nullptr;
  }
 
  typename std::map<element_type, triple_type *>::iterator iter3;
  iter3 = iter2->second.find(e3);
  if (iter3 == iter2->second.end()) {
    return nullptr;
  }
 
  return iter3->second;
}
 
}  // namespace csg
}  // namespace votca
 
#endif /*  VOTCA_CSG_TRIPLELIST_H */