Line data Source code
1 : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 : Copyright (c) 2013-2018 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 : #include "VesselRegister.h"
23 : #include "FunctionVessel.h"
24 : #include "ActionWithVessel.h"
25 :
26 : namespace PLMD {
27 : namespace vesselbase {
28 :
29 114 : class Mean : public FunctionVessel {
30 : public:
31 : static void registerKeywords( Keywords& keys );
32 : static void reserveKeyword( Keywords& keys );
33 : explicit Mean( const vesselbase::VesselOptions& da );
34 : std::string value_descriptor();
35 : double calcTransform( const double& val, double& dv ) const ;
36 : };
37 :
38 2580 : PLUMED_REGISTER_VESSEL(Mean,"MEAN")
39 :
40 57 : void Mean::registerKeywords( Keywords& keys ) {
41 57 : FunctionVessel::registerKeywords(keys);
42 57 : }
43 :
44 841 : void Mean::reserveKeyword( Keywords& keys ) {
45 841 : keys.reserve("vessel","MEAN","take the mean of these variables.");
46 : keys.addOutputComponent("mean","MEAN","the mean value. The output component can be refererred to elsewhere in the input "
47 841 : "file by using the label.mean");
48 841 : }
49 :
50 57 : Mean::Mean( const vesselbase::VesselOptions& da ) :
51 57 : FunctionVessel(da)
52 : {
53 57 : if( getAction()->isPeriodic() ) error("MEAN cannot be used with periodic variables");
54 57 : norm=true; // Makes sure we calculate the average
55 57 : }
56 :
57 57 : std::string Mean::value_descriptor() {
58 57 : return "the mean value";
59 : }
60 :
61 46522 : double Mean::calcTransform( const double& val, double& dv ) const {
62 46522 : dv=1.0; return val;
63 : }
64 :
65 : }
66 2523 : }
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