AlloViz.Wrappers.Base.Combined_Dihs_Avg._save_pq

Combined_Dihs_Avg._save_pq(pqs, xtc)

Save the calculation results in a parquet file

It is used as callback function after the calculation with a specific class’ _computation private method to save the calculated data of a single trajectory file in tabular format in a parquet (.pq) file.

Parameters:

argslist

List of elements returned by the _computation function. It will always contain a corr matrix (numpy.ndarray) and the xtc trajectory number. It may also include a residue list resl with the residue indices out of all the residues in the Protein object for which values were calculated. This is used, e.g., for calculations involving dihedral angles, in which residues in the extremes will not have some dihedrals and thus values won’t be calculated for them.