Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2016-2019 The plumed team
       3             :    (see the PEOPLE file at the root of the distribution for a list of names)
       4             : 
       5             :    See http://www.plumed.org for more information.
       6             : 
       7             :    This file is part of plumed, version 2.
       8             : 
       9             :    plumed 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             :    plumed 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 plumed.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : #ifndef __PLUMED_analysis_AverageVessel_h
      23             : #define __PLUMED_analysis_AverageVessel_h
      24             : 
      25             : #include "vesselbase/AveragingVessel.h"
      26             : 
      27             : namespace PLMD {
      28             : namespace analysis {
      29             : 
      30           6 : class AverageVessel : public vesselbase::AveragingVessel {
      31             : private:
      32             :   std::vector<double> domain;
      33             : public:
      34             :   /// keywords
      35             :   static void registerKeywords( Keywords& keys );
      36             : /// Constructor
      37             :   explicit AverageVessel( const vesselbase::VesselOptions& );
      38             : /// Set the size of the data vessel
      39             :   void resize();
      40             : /// This does nothing
      41             :   void calculate( const unsigned& current, MultiValue& myvals, std::vector<double>& buffer, std::vector<unsigned>& der_list ) const ;
      42           2 :   std::string description() { return ""; }
      43             : /// Accumulate the average
      44             :   void accumulate( const double& weight, const double& val );
      45             : /// Get the average value
      46             :   double getAverage() const ;
      47             : };
      48             : 
      49             : }
      50             : }
      51             : #endif