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 "core/ActionWithVector.h"
      26             : #include "ContourFindingObject.h"
      27             : #include "gridtools/EvaluateGridFunction.h"
      28             : #include "core/ParallelTaskManager.h"
      29             : 
      30             : namespace PLMD {
      31             : namespace contour {
      32             : 
      33             : class FindContour : public ActionWithVector {
      34             :   friend class DumpContour;
      35             : public:
      36             :   using input_type = ContourFindingObject<gridtools::EvaluateGridFunction>;
      37             :   using PTM = ParallelTaskManager<FindContour>;
      38             : private:
      39             :   bool firststep;
      40             : /// The parallel task manager
      41             :   PTM taskmanager;
      42             :   unsigned gbuffer;
      43             :   std::vector<unsigned> active_cells;
      44             : public:
      45             :   static void registerKeywords( Keywords& keys );
      46             :   explicit FindContour(const ActionOptions&ao);
      47             :   std::string getOutputComponentDescription( const std::string& cname, const Keywords& keys ) const override ;
      48             :   const gridtools::GridCoordinatesObject& getInputGridObject() const ;
      49             :   unsigned getNumberOfDerivatives() override ;
      50             :   void getNumberOfTasks( unsigned& ntasks ) override ;
      51             :   int checkTaskIsActive( const unsigned& taskno ) const override;
      52             :   void calculate() override;
      53             :   void getInputData( std::vector<double>& inputdata ) const override;
      54             :   static void performTask( std::size_t task_index,
      55             :                            const ContourFindingObject<gridtools::EvaluateGridFunction>& actiondata,
      56             :                            ParallelActionsInput& input,
      57             :                            ParallelActionsOutput& output );
      58             : };
      59             : 
      60             : inline
      61      235991 : const gridtools::GridCoordinatesObject& FindContour::getInputGridObject() const {
      62      235991 :   return taskmanager.getActionInput().function.getGridObject();
      63             : }
      64             : 
      65             : }
      66             : }
      67             : #endif