schrodinger.application.matsci.qexsd.qespresso.utils.mapping module

Useful classes for building mapping structures.

class schrodinger.application.matsci.qexsd.qespresso.utils.mapping.BiunivocalMap(*args, **kwargs)

Bases: collections.abc.MutableMapping

A dictionary that implements a bijective correspondence, namely with constraints of uniqueness both on keys that on values.

copy()
classmethod fromkeys(iterable, value=None)
getkey(value, default=None)

If value is in dictionary’s values, return the key correspondent to the value, else return None.

Parameters:
  • value – Value to map
  • default – Default to return if the value is not in the map values
inverse()

Return a copy of the inverse dictionary.