structureparameters.h

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/*
 * Copyright 2009-2020 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_TOOLS_STRUCTUREPARAMETERS_H
#define VOTCA_TOOLS_STRUCTUREPARAMETERS_H
 
// Standard includes
#include <cassert>
#include <unordered_map>
 
// Third party includes
#include <boost/any.hpp>
 
namespace votca {
namespace tools {
 
enum StructureParameter {
  Mass,
  Position,
  MoleculeId,
  ResidueId,
  Charge,
  Element,
  Symmetry,
  ResidueType,
  BeadId,
  BeadType,
  MoleculeType
};
 
class StructureParameters {
 
 public:
  void set(const StructureParameter parameter, boost::any value) noexcept;
 
  template <class T>
  T get(const StructureParameter parameter) const;
 
 private:
  std::unordered_map<StructureParameter, boost::any, std::hash<int>> parameters;
};
 
void StructureParameters::set(const StructureParameter parameter,
                              boost::any value) noexcept {
  parameters[parameter] = value;
}
 
template <class T>
T StructureParameters::get(const StructureParameter parameter) const {
  assert(parameters.count(parameter) &&
         "StructureParameter is not stored in StructureParameters class");
  assert(typeid(T) == parameters.at(parameter).type() &&
         "Cannot return boost any value from parameters class because it is "
         "not being cast to the correct type");
  return boost::any_cast<T>(parameters.at(parameter));
}
 
}  // namespace tools
}  // namespace votca
#endif  // VOTCA_TOOLS_STRUCTUREPARAMETERS_H