Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2016-2018 The VES code team
       3             :    (see the PEOPLE-VES file at the root of this folder for a list of names)
       4             : 
       5             :    See http://www.ves-code.org for more information.
       6             : 
       7             :    This file is part of VES code module.
       8             : 
       9             :    The VES code module is free software: you can redistribute it and/or modify
      10             :    it under the terms of the GNU Lesser General Public License as published by
      11             :    the Free Software Foundation, either version 3 of the License, or
      12             :    (at your option) any later version.
      13             : 
      14             :    The VES code module is distributed in the hope that it will be useful,
      15             :    but WITHOUT ANY WARRANTY; without even the implied warranty of
      16             :    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
      17             :    GNU Lesser General Public License for more details.
      18             : 
      19             :    You should have received a copy of the GNU Lesser General Public License
      20             :    along with the VES code module.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : #ifndef __PLUMED_ves_TargetDistModifer_h
      23             : #define __PLUMED_ves_TargetDistModifer_h
      24             : 
      25             : #include <vector>
      26             : #include <cmath>
      27             : 
      28             : namespace PLMD {
      29             : namespace ves {
      30             : 
      31             : class TargetDistModifer {
      32             : public:
      33             :   virtual double getModifedTargetDistValue(const double targetdist_value, const std::vector<double>& cv_values) const = 0;
      34             :   virtual ~TargetDistModifer() {}
      35             : };
      36             : 
      37           6 : class WellTemperedModifer:public TargetDistModifer {
      38             : private:
      39             :   double invbiasf_;
      40             : public:
      41           6 :   explicit WellTemperedModifer(double biasfactor):invbiasf_(1.0/biasfactor) {}
      42       21206 :   double getModifedTargetDistValue(const double targetdist_value, const std::vector<double>& cv_values) const {
      43       21206 :     return std::pow(targetdist_value,invbiasf_);
      44             :   }
      45             : };
      46             : 
      47             : 
      48             : 
      49             : 
      50             : }
      51             : }
      52             : 
      53             : #endif