Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2015-2020 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_contour_FindContour_h
      23             : #define __PLUMED_contour_FindContour_h
      24             : 
      25             : #include "ContourFindingBase.h"
      26             : 
      27             : namespace PLMD {
      28             : namespace contour {
      29             : 
      30             : class FindContour : public ContourFindingBase {
      31             :   friend class DumpContour;
      32             : private:
      33             :   unsigned gbuffer;
      34             :   std::vector<unsigned> active_cells;
      35             : public:
      36             :   static void registerKeywords( Keywords& keys );
      37             :   explicit FindContour(const ActionOptions&ao);
      38             :   std::string getOutputComponentDescription( const std::string& cname, const Keywords& keys ) const override ;
      39             :   void setupValuesOnFirstStep() override;
      40             :   unsigned getNumberOfDerivatives() override ;
      41             :   void areAllTasksRequired( std::vector<ActionWithVector*>& task_reducing_actions ) override ;
      42             :   void getNumberOfTasks( unsigned& ntasks ) override ;
      43             :   int checkTaskStatus( const unsigned& taskno, int& flag ) const override ;
      44           0 :   std::vector<std::string> getGridCoordinateNames() const override { plumed_error(); }
      45           0 :   const gridtools::GridCoordinatesObject& getGridCoordinatesObject() const override { plumed_error(); }
      46             :   void performTask( const unsigned& current, MultiValue& myvals ) const override;
      47             : };
      48             : 
      49             : }
      50             : }
      51             : #endif