void
AnalysisDataLifetimeModule::frameStarted(const AnalysisDataFrameHeader &header)
{
if (header.index() == 0)
{
impl_->firstx_ = header.x();
}
impl_->lastx_ = header.x();
++impl_->frameCount_;
// TODO: Check the input for even spacing.
}
void
AnalysisDataFrameAverageModule::frameFinished(const AnalysisDataFrameHeader &header)
{
AnalysisDataStorageFrame &frame =
impl_->storage_.currentFrame(header.index());
const int samples = impl_->sampleCount_;
if (samples > 0)
{
frame.value(0) /= samples;
}
impl_->storage_.finishFrame(header.index());
}
void
AnalysisDataDisplacementModule::frameStarted(const AnalysisDataFrameHeader &header)
{
// Initialize times.
if (_impl->bFirst)
{
_impl->t0 = header.x();
}
else if (_impl->dt <= 0)
{
_impl->dt = header.x() - _impl->t0;
if (_impl->dt < 0 || gmx_within_tol(_impl->dt, 0.0, GMX_REAL_EPS))
{
GMX_THROW(APIError("Identical or decreasing frame times"));
}
}
else
{
if (!gmx_within_tol(header.x() - _impl->t, _impl->dt, GMX_REAL_EPS))
{
GMX_THROW(APIError("Frames not evenly spaced"));
}
}
_impl->t = header.x();
// Allocate memory for all the positions once it is possible.
if (_impl->max_store == -1 && !_impl->bFirst)
{
_impl->max_store = _impl->nmax * (int)(_impl->tmax/_impl->dt + 1);
srenew(_impl->oldval, _impl->max_store);
}
// Increment the index where current positions are stored.
_impl->ci += _impl->nmax;
if (_impl->ci >= _impl->max_store)
{
_impl->ci = 0;
}
/*
for (int i = 0; i < _impl->nmax; ++i)
{
_impl->p[_impl->ci + i].bPres = false;
}
*/
_impl->nstored++;
_impl->bFirst = false;
}
void
AbstractAnalysisData::notifyFrameStart(const AnalysisDataFrameHeader &header) const
{
GMX_ASSERT(impl_->bInData_, "notifyDataStart() not called");
GMX_ASSERT(!impl_->bInFrame_,
"notifyFrameStart() called while inside a frame");
GMX_ASSERT(header.index() == impl_->nframes_,
"Out of order frames");
impl_->bInFrame_ = true;
impl_->currIndex_ = header.index();
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
(*i)->frameStarted(header);
}
}
void
MockAnalysisDataModule::Impl::finishReferenceFrame(
const AnalysisDataFrameHeader &header)
{
EXPECT_TRUE(frameChecker_.get() != NULL);
EXPECT_EQ(frameIndex_, header.index());
++frameIndex_;
frameChecker_.reset();
}
void
AbstractPlotModule::frameStarted(const AnalysisDataFrameHeader &frame)
{
if (!isFileOpen())
{
return;
}
if (!impl_->bOmitX_)
{
std::fprintf(impl_->fp_, impl_->xformat_, frame.x() * impl_->xscale_);
}
}
void
AnalysisDataModuleManager::notifyFrameStart(const AnalysisDataFrameHeader &header) const
{
GMX_ASSERT(impl_->state_ == Impl::eInData, "Invalid call sequence");
GMX_ASSERT(header.index() == impl_->currIndex_, "Out of order frames");
impl_->state_ = Impl::eInFrame;
if (impl_->bSerialModules_)
{
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
if (!i->bParallel)
{
i->module->frameStarted(header);
}
}
}
}
void
AbstractAnalysisData::notifyFrameFinish(const AnalysisDataFrameHeader &header)
{
GMX_ASSERT(impl_->bInData_, "notifyDataStart() not called");
GMX_ASSERT(impl_->bInFrame_, "notifyFrameStart() not called");
GMX_ASSERT(header.index() == impl_->currIndex_,
"Header does not correspond to current frame");
impl_->bInFrame_ = false;
impl_->currIndex_ = -1;
// Increment the counter before notifications to allow frame access from
// modules.
++impl_->nframes_;
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
(*i)->frameFinished(header);
}
}
void
AnalysisDataModuleManager::notifyFrameFinish(const AnalysisDataFrameHeader &header) const
{
GMX_ASSERT(impl_->state_ == Impl::eInFrame, "notifyFrameStart() not called");
GMX_ASSERT(header.index() == impl_->currIndex_,
"Header does not correspond to current frame");
// TODO: Add a check for the frame count in the source data including this
// frame.
impl_->state_ = Impl::eInData;
++impl_->currIndex_;
if (impl_->bSerialModules_)
{
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
if (!i->bParallel)
{
i->module->frameFinished(header);
}
}
}
}
void
AnalysisDataFrameAverageModule::frameFinished(const AnalysisDataFrameHeader &header)
{
impl_->storage_.finishFrame(header.index());
}
