6.1.2.3. Base guesser classes — MDAnalysis.guesser.base

Derive context-specific guesser classes from the base class in this module.

6.1.2.3.1. Classes

class MDAnalysis.guesser.base.GuesserBase(universe=None, **kwargs)

Base class for context-specific guessers to inherit from

Parameters:

• universe (Universe, optional) – Supply a Universe to the Guesser. This then becomes the source of atom attributes to be used in guessing processes. (this is relevant to how the universe’s guess_TopologyAttrs API works. See guess_TopologyAttrs()).

• **kwargs (dict, optional) –

  To pass additional data to the guesser that can be used with

  different methods.

Added in version 2.8.0.

copy()

Return a copy of this Guesser

guess_attr(attr_to_guess, force_guess=False)

map the attribute to be guessed with the apporpiate guessing method

Parameters:

• attr_to_guess (str) – an atrribute to be guessed then to be added to the universe

• force_guess (bool) – To indicate wether to only partialy guess the empty values of the attribute or to overwrite all existing values by guessed one

Return type:

NDArray of guessed values

is_guessable(attr_to_guess)

check if the passed atrribute can be guessed by the guesser class

Parameters:

guess (str) – Attribute to be guessed then added to the Universe

Return type:

bool

MDAnalysis.guesser.base.get_guesser(context, u=None, **kwargs)

get an appropiate guesser to the Universe and pass

the Universe to the guesser

Parameters:

• u (Universe) – to be passed to the guesser

• context (str or Guesser)

• **kwargs (dict, optional) – Extra arguments are passed to the guesser.

Return type:

Guesser class

:raises * KeyError upon failing to return a guesser class: :raises .. versionadded:: 2.8.0: