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.

__init__(*args, **kwargs)

__len__()

__contains__(key)

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.

clear() → None.  Remove all items from D.

get(k[, d]) → D[k] if k in D, else d.  d defaults to None.

items() → a set-like object providing a view on D’s items

keys() → a set-like object providing a view on D’s keys

pop(k[, d]) → v, remove specified key and return the corresponding value.

If key is not found, d is returned if given, otherwise KeyError is raised.

popitem() → (k, v), remove and return some (key, value) pair

as a 2-tuple; but raise KeyError if D is empty.

setdefault(k[, d]) → D.get(k,d), also set D[k]=d if k not in D

update([E, ]**F) → None.  Update D from mapping/iterable E and F.

If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v

values() → an object providing a view on D’s values