Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2016-2023 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             : #include "AveragingVessel.h"
      23             : #include "ActionWithAveraging.h"
      24             : 
      25             : namespace PLMD {
      26             : namespace vesselbase {
      27             : 
      28          69 : void AveragingVessel::registerKeywords( Keywords& keys ) {
      29          69 :   Vessel::registerKeywords( keys );
      30          69 : }
      31             : 
      32          70 : AveragingVessel::AveragingVessel( const vesselbase::VesselOptions& vo ):
      33             :   Vessel(vo),
      34          70 :   wascleared(true) {
      35          70 :   if( getAction() ) {
      36          68 :     ActionWithAveraging* myav = dynamic_cast<ActionWithAveraging*>( getAction() );
      37          68 :     plumed_assert( myav );
      38          68 :     unormalised = myav->ignoreNormalization();
      39             :   }
      40          70 : }
      41             : 
      42          98 : void AveragingVessel::finish( const std::vector<double>& buffer ) {
      43          98 :   wascleared=false;
      44     1182011 :   for(unsigned i=1; i<data.size(); ++i) {
      45     1181913 :     data[i]+=buffer[bufstart + i - 1];
      46             :   }
      47          98 : }
      48             : 
      49        1278 : bool AveragingVessel::wasreset() const {
      50        1278 :   return wascleared;
      51             : }
      52             : 
      53         102 : void AveragingVessel::clear() {
      54         102 :   plumed_assert( wascleared );
      55         102 :   data.assign( data.size(), 0.0 );
      56         102 : }
      57             : 
      58          69 : void AveragingVessel::reset() {
      59          69 :   wascleared=true;
      60          69 : }
      61             : 
      62         216 : void AveragingVessel::setDataSize( const unsigned& size ) {
      63         216 :   if( data.size()!=(1+size) ) {
      64          84 :     data.resize( 1+size, 0 );
      65             :   }
      66         216 : }
      67             : 
      68             : }
      69             : }
      70             :