bondedstatistics.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_BONDEDSTATISTICS_H
#define VOTCA_CSG_BONDEDSTATISTICS_H
 
#include "../../include/votca/csg/cgobserver.h"
#include <votca/tools/datacollection.h>
 
namespace votca {
namespace csg {
class BondedStatistics : public votca::csg::CGObserver {
 public:
  void BeginCG(Topology *top, Topology *top_atom = nullptr) override;
  void EndCG() override;
 
  void EvalConfiguration(Topology *conf,
                         Topology *conf_atom = nullptr) override;
 
  tools::DataCollection<double> &BondedValues() { return bonded_values_; }
 
 protected:
  tools::DataCollection<double> bonded_values_;
};
}  // namespace csg
}  // namespace votca
#endif  // VOTCA_CSG_BOLZMANNINVERSION_H