src/gromacs/coordinateio/outputadapters/settimestep.cpp

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  35 /*!\internal
  36  * \file
  37  * \brief
  38  * Implements settimestep class.
  39  *
  40  * \author Paul Bauer <paul.bauer.q@gmail.com>
  41  * \ingroup module_coordinateio
  42  */
  43
  44 #include "gmxpre.h"
  45
  46 #include "settimestep.h"
  47
  48 #include "gromacs/trajectory/trajectoryframe.h"
  49 #include "gromacs/utility/exceptions.h"
  50
  51 namespace gmx
  52 {
  53
  54 real SetTimeStep::calculateNewFrameTime(real currentInputFrameTime)
  55 {
  56     real currentTime = 0.0;
  57     if (!haveProcessedFirstFrame_)
  58     {
  59         currentTime              = currentInputFrameTime;
  60         haveProcessedFirstFrame_ = true;
  61     }
  62     else
  63     {
  64         currentTime = previousFrameTime_ + timeStep_;
  65     }
  66     previousFrameTime_ = currentTime;
  67
  68     return currentTime;
  69 }
  70
  71 void SetTimeStep::processFrame(const int /* framenumber */, t_trxframe* input)
  72 {
  73     input->time  = calculateNewFrameTime(input->time);
  74     input->bTime = true;
  75 }
  76
  77 } // namespace gmx