Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 : Copyright (c) 2015-2019 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_vesselbase_OrderingVessel_h
23 : #define __PLUMED_vesselbase_OrderingVessel_h
24 :
25 : #include <string>
26 : #include <cstring>
27 : #include <vector>
28 : #include "ValueVessel.h"
29 : #include "StoreDataVessel.h"
30 : #include "core/Value.h"
31 :
32 : namespace PLMD {
33 : namespace vesselbase {
34 :
35 7 : class OrderingVessel : public ValueVessel {
36 : private:
37 : StoreDataVessel* mydata;
38 : public:
39 : static void registerKeywords( Keywords& keys );
40 : explicit OrderingVessel( const VesselOptions& da );
41 : void resize();
42 2100 : void calculate( const unsigned& current, MultiValue& myvals, std::vector<double>& buffer, std::vector<unsigned>& der_list ) const {}
43 : void finish( const std::vector<double>& buffer );
44 : virtual bool compare( const double&, const double& )=0;
45 : };
46 :
47 : }
48 : }
49 : #endif
50 :
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