// Given a frame number, read the coord data into the internal array
// and retrieve the corresponding periodic box (if present)
void AmberNetcdf::readRawFrame(const uint frameno) {
size_t start[3] = {0, 0, 0};
size_t count[3] = {1, 1, 3};
// Read coordinates first...
start[0] = frameno;
count[1] = _natoms;
int retval = VarTypeDecider<GCoord::element_type>::read(_ncid, _coord_id, start, count, _coord_data);
if (retval)
throw(FileReadError(_filename, "Cannot read Amber netcdf frame", retval));
// Now get box if present...
if (_periodic) {
start[1] = 0;
count[1] = 3;
retval = VarTypeDecider<GCoord::element_type>::read(_ncid, _cell_lengths_id, start, count, _box_data);
if (retval)
throw(FileReadError(_filename, "Cannot read Amber netcdf periodic box", retval));
}
}
void MultiTrajectory::seekFrameImpl(const uint i) {
if (i >= _nframes)
throw(FileReadError("Cannot seek past end of MultiTraj"));
Location loc = frameIndexToLocation(i);
_curtraj = loc.first;
_curframe = loc.second;
}
void ROFile::ReadBuffer(void* pBuffer, unsigned int uiBufferSize)
{
if(!m_File)
{
throw FileError("NULL File pointer", EL_BAD, "ROFile::ReadBuffer", "File hasn't been opened!");
}
unsigned int rc = fread(pBuffer, uiBufferSize, 1, m_File);
if(feof(m_File))
{
throw FileEOF(m_sFilename.c_str(), rc);
}
else if(ferror(m_File))
{
throw FileReadError(m_sFilename.c_str(), EL_BAD, "ROFile::ReadBuffer", "Error while reading file:\r\n" + m_sFilename);
}
}
