ag_info_str

mdtools.run_time_info.ag_info_str(ag, indent=0, max_names=10)

Create a string containing information about an MDAnalysis AtomGroup.

The string can be printed directly to standard output using print().

The information contained in the string is:

• The total number of

  • Segments

  • Residues

  • Fragments

  • Atoms

• The number of different

  • Segments

  • Residues

  • Atoms

  • And their respective names or types.

• Whether the input AtomGroup is an UpdatingAtomGroup or not.

Refer to the MDAnalysis’ user guide for an explanation of these terms.

Parameters:

• ag (MDAnalysis.core.groups.AtomGroup) – The MDAnalysis AtomGroup for which to create the information string.

• indent (int, optional) – Number of spaces to indent the information string. Negative indentation is treated as zero indentation.

• max_names (int, optional) – The maximum number of Segment, Residue or Atom names/types to print to screen. If the number of different names/types exceeds max_names, the names/types are not separately printed to stdout to avoid overloading the screen.

Returns:

ag_info (str) – Human readable string containing the above listed content.

See also

mdtools.file_handler.indent()

Indent a text