mmtfPyspark.interactions.structureToAtomInteractions module¶

structureToAtomInteraction.py

Finds interactions that match the criteria specified by the InteractionFilter

class StructureToAtomInteractions(bfilter, pairwise=False)[source]¶

Bases: object

Class that finds structure to atom intteractions.

Attributes

bfilter	(obj) Specifies the conditions for calculating interactions
pairwise	(bool) If True, results as one row per pair interactions. If False, the interactions of one atom with all other atoms are returned as a single row.

Methods

__call__(t)

Call self as a function.