utils : Miscellanea boiler plate

idpflex.utils.namedtuplefy(func)

Decorator to transform the return dictionary of a function into a namedtuple

Parameters:

• func (Function) – Function to be decorated
• name (str) – Class name for the namedtuple. If None, the name of the function will be used

Returns:

Return type:

Function

idpflex.utils.temporary_file(*args, **kwds)

Creates a temporary file

Parameters:kwargs (dict) – optional arguments to tempfile.mkstemp Yields:str – Absolute path name to file

idpflex.utils.write_frame(a_universe, iframe, file_name)

Write a single trajectory frame to file.

Format is guessed from the file’s extension.

Parameters:

• a_universe (Universe) – Universe describing the simulation
• iframe (int) – Trajectory frame index (indexes begin with zero)
• file_name (str) – Name of the file to create