kmcrates.h

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/*
 *            Copyright 2009-2026 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_XTP_KMCRATES_H
#define VOTCA_XTP_KMCRATES_H
 
// Standard includes
#include <vector>
 
// Local VOTCA includes
#include "eigen.h"
#include "tofgraph.h"
 
namespace votca {
namespace xtp {

class TimeDependentRates {
 public:
  virtual ~TimeDependentRates() = default;

  virtual double Rate(Index edge, double t) const = 0;

  virtual double EscapeRate(Index site, double t) const;

  virtual double UpperBound(Index edge) const = 0;

  virtual double Period() const { return 0.0; }

  virtual bool isStatic() const { return false; }
 
  const ToFGraph& Graph() const { return graph_; }
 
 protected:
  explicit TimeDependentRates(const ToFGraph& graph) : graph_(graph) {}
  const ToFGraph& graph_;
};

class StaticRates final : public TimeDependentRates {
 public:
  explicit StaticRates(const ToFGraph& graph) : TimeDependentRates(graph) {}
  double Rate(Index edge, double) const override {
    return graph_.getEdge(edge).rate;
  }
  double EscapeRate(Index site, double) const override {
    return graph_.EscapeRate(site);
  }
  double UpperBound(Index edge) const override {
    return graph_.getEdge(edge).rate;
  }
  bool isStatic() const override { return true; }
};
 
}  // namespace xtp
}  // namespace votca
 
#endif  // VOTCA_XTP_KMCRATES_H