void
AbstractAnalysisArrayData::valuesReady()
{
GMX_RELEASE_ASSERT(isAllocated(), "There must be some data");
if (bReady_)
{
return;
}
bReady_ = true;
std::vector<AnalysisDataValue>::const_iterator valueIter = value_.begin();
AnalysisDataModuleManager &modules = moduleManager();
modules.notifyDataStart(this);
for (int i = 0; i < rowCount(); ++i, valueIter += columnCount())
{
AnalysisDataFrameHeader header(i, xvalue(i), 0);
modules.notifyFrameStart(header);
modules.notifyPointsAdd(
AnalysisDataPointSetRef(
header, pointSetInfo_,
constArrayRefFromVector<AnalysisDataValue>(valueIter,
valueIter + columnCount())));
modules.notifyFrameFinish(header);
}
modules.notifyDataFinish();
}
void
AnalysisDataDisplacementModule::frameFinished(const AnalysisDataFrameHeader & /*header*/)
{
if (_impl->nstored <= 1)
{
return;
}
int step, i;
if (_impl->nstored == 2)
{
if (_impl->histm)
{
_impl->histm->init(histogramFromBins(0, _impl->max_store / _impl->nmax,
_impl->dt).integerBins());
}
notifyDataStart();
}
AnalysisDataFrameHeader header(_impl->nstored - 2, _impl->t, 0);
notifyFrameStart(header);
for (i = _impl->ci - _impl->nmax, step = 1;
step < _impl->nstored && i != _impl->ci;
i -= _impl->nmax, ++step)
{
if (i < 0)
{
i += _impl->max_store;
}
_impl->currValues_.clear();
_impl->currValues_.push_back(AnalysisDataValue(step * _impl->dt));
int k = 1;
for (int j = 0; j < _impl->nmax; j += _impl->ndim, ++k)
{
real dist2 = 0.0;
for (int d = 0; d < _impl->ndim; ++d)
{
real displ = _impl->oldval[_impl->ci + j + d]
- _impl->oldval[i + j + d];
dist2 += displ * displ;
}
_impl->currValues_.push_back(AnalysisDataValue(dist2));
}
notifyPointsAdd(AnalysisDataPointSetRef(header, _impl->currValues_));
}
notifyFrameFinish(header);
}
