// DataIO_Std::WriteData3D()
int DataIO_Std::WriteData3D( CpptrajFile& file, DataSetList const& setList)
{
int err = 0;
for (DataSetList::const_iterator set = setList.begin(); set != setList.end(); ++set)
{
if (set != setList.begin()) file.Printf("\n");
err += WriteSet3D( *(*set), file );
}
return err;
}
// DataIO_CCP4::WriteData()
int DataIO_CCP4::WriteData(FileName const& fname, DataSetList const& setList)
{
// Open output file
CpptrajFile outfile;
if (outfile.OpenWrite(fname)) {
mprinterr("Error: Could not open CCP4 output file '%s'.\n", fname.full());
return 1;
}
// Warn about writing multiple sets
if (setList.size() > 1)
mprintf("Warning: %s: Writing multiple 3D sets in CCP4 format not supported.\n"
"Warning: Only writing first set.\n", fname.full());
return WriteSet3D( setList.begin(), outfile );
}
// DataIO_OpenDx::WriteData()
int DataIO_OpenDx::WriteData(FileName const& fname, DataSetList const& setList)
{
// Open output file
CpptrajFile outfile;
if (outfile.OpenWrite(fname)) {
mprinterr("Error: Could not open OpenDX output file.\n");
return 1;
}
// Warn about writing multiple sets
if (setList.size() > 1)
mprintf("Warning: %s: Writing multiple 3D sets in OpenDX format may result in unexpected behavior\n", fname.full());
int err = 0;
for (DataSetList::const_iterator set = setList.begin(); set != setList.end(); ++set)
err += WriteSet3D( *(*set), outfile );
return err;
}
