Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2017-2023 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_core_DataFetchingObject_h
      23             : #define __PLUMED_core_DataFetchingObject_h
      24             : 
      25             : #include <string>
      26             : #include <vector>
      27             : #include <set>
      28             : #include <map>
      29             : #include <memory>
      30             : 
      31             : #include "tools/TypesafePtr.h"
      32             : 
      33             : namespace PLMD {
      34             : 
      35             : class ActionSet;
      36             : class PlumedMain;
      37             : class ActionWithValue;
      38             : class Value;
      39             : 
      40             : class DataFetchingObject {
      41             : protected:
      42             : /// Pointers to the various actions required by the grabber
      43             :   std::vector<ActionWithValue*> myactions;
      44             : /// The values required by the user
      45             :   std::vector<Value*> myvalues;
      46             : /// A copy of the plumed main object
      47             :   PlumedMain & plumed;
      48             : public:
      49             :   static std::unique_ptr<DataFetchingObject> create(unsigned n, PlumedMain& p);
      50             : /// A constructor so that we can create the plumed main object
      51             :   explicit DataFetchingObject(PlumedMain&p);
      52      405175 :   virtual ~DataFetchingObject() {}
      53             : ///
      54             :   bool activate() const ;
      55             : /// Return the rank required for a particular key
      56             :   static void get_rank( const ActionSet& a, const std::string& key, const std::string& type, const TypesafePtr & rank );
      57             : /// Return the shape required for a particular key
      58             :   static void get_shape( const ActionSet& a, const std::string& key, const std::string& type, const TypesafePtr & dims );
      59             : /// Find the action that calculates a particular value
      60             :   static ActionWithValue* findAction( const ActionSet& a, const std::string& key );
      61             : /// Set the pointer to the data
      62             :   virtual void setData( const std::string& key, const std::string& type, const TypesafePtr & outval )=0;
      63             : /// After calc has been performed grab all the data and put it in the relevant arrays
      64             :   virtual void finishDataGrab()=0;
      65             : };
      66             : 
      67             : }
      68             : #endif