casm.project.query

casm.project.query(proj, columns, selection_path, selection_type, verbatim=True, all=False)[source]

Return a pandas.DataFrame with casm query output

Parameters:

  • proj (casm.project.Project) – The project to query

  • columns (iterable of str) – Corresponds to casm query -k arguments listing the values to be queried. Use casm query –help properties and casm query –help operators to list options.

  • selection_path (str) – The -c,–selection option, a path to a selection file, or a standard selection name (“MASTER”, “ALL”, “CALCULATED”, “NONE”)

  • selection_type (str) –

    The -t,–type option, indicates the type of object being selected. Expected to be one of:

    ”config”: to select configurations “scel”: to select supercells

  • verbatim (bool) – If True, use -v,–verbatim option to exclude ‘name’ and ‘selected’ columns from the query output.

  • all (bool) – If True, use -a,–all to include unselected objects in the output

Returns:

data (pandas.DataFrame) – A DataFrame containing the query results. Note that no columns are loaded as bool dtype.