Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2012-2018 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_multicolvar_MultiColvar_h
      23             : #define __PLUMED_multicolvar_MultiColvar_h
      24             : 
      25             : #include "MultiColvarBase.h"
      26             : #include "AtomValuePack.h"
      27             : #include "tools/SwitchingFunction.h"
      28             : #include <vector>
      29             : 
      30             : #define PLUMED_MULTICOLVAR_INIT(ao) Action(ao),MultiColvar(ao)
      31             : 
      32             : namespace PLMD {
      33             : namespace multicolvar {
      34             : 
      35             : /**
      36             : \ingroup INHERIT
      37             : This is the abstract base class to use for creating distributions of colvars and functions
      38             : thereof, whtin it there is \ref AddingAMultiColvar "information" as to how to go implementing these types of actions.
      39             : */
      40             : 
      41             : class MultiColvar : public MultiColvarBase {
      42             : protected:
      43             : /// Read in all the keywords that can be used to define atoms
      44             :   void readAtoms( int& natoms, std::vector<AtomNumber> all_atoms );
      45             : /// Read in ATOMS keyword
      46             :   void readAtomsLikeKeyword( const std::string & key, int& natoms, std::vector<AtomNumber>& all_atoms );
      47             : public:
      48             :   explicit MultiColvar(const ActionOptions&);
      49          98 :   ~MultiColvar() {}
      50             :   static void registerKeywords( Keywords& keys );
      51             : };
      52             : 
      53             : }
      54             : }
      55             : 
      56             : #endif