FlexibleBin.h

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/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
   Copyright (c) 2013 The plumed team
   (see the PEOPLE file at the root of the distribution for a list of names)

   See http://www.plumed-code.org for more information.

   This file is part of plumed, version 2.0.

   plumed is free software: you can redistribute it and/or modify
   it under the terms of the GNU Lesser General Public License as published by
   the Free Software Foundation, either version 3 of the License, or
   (at your option) any later version.

   plumed is distributed in the hope that it will be useful,
   but WITHOUT ANY WARRANTY; without even the implied warranty of
   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
   GNU Lesser General Public License for more details.

   You should have received a copy of the GNU Lesser General Public License
   along with plumed.  If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
#ifndef __PLUMED_core_FlexibleBin_h
#define __PLUMED_core_FlexibleBin_h

#include<vector>

namespace PLMD{

class ActionWithArguments;

class FlexibleBin{
        private:
                const int type;
                // this contains all the infos about the CVs including periodicity
                ActionWithArguments *paction;
                double sigma;   
                // variance is the matrix that really matters
                std::vector<double> variance;   
                // this is only there
                std::vector<double> average;
                // minimum and maximum values   
                std::vector<double> sigmamin;   
                std::vector<double> sigmamax;   
                std::vector<bool>  limitmax;    
                std::vector<bool>  limitmin;    
        public:
                /// a constructor that takes the pointer of the action that contains it
                FlexibleBin(int type,ActionWithArguments *paction, double const &d, std::vector<double> &sigmamin, std::vector<double> &sigmamax );
                /// update the average (always for diffusion) or calculate the geom covariance (  only when do_when_zero is zero)
                void update(bool nowAddAHill );
                std::vector<double> getMatrix() const;
                std::vector<double> getInverseMatrix() const;
                enum AdaptiveHillsType { none, diffusion, geometry }; 
};



}
#endif