pestifer.tasks.ringcheck module

Definition of the RingCheckTask class for checking for pierced rings in a molecular structure. This class is a descendant of the BaseTask class and is used to check for pierced rings in a molecular structure. It identifies configurations where a ring is pierced by another segment and can optionally delete the pierced segments. Usage is described in the ring_check documentation.

class pestifer.tasks.ringcheck.RingCheckTask(specs: dict = None, **kwargs)

Bases: BaseTask

A class for checking for pierced rings

do()

This a stub method that should be overridden by subclasses. It is intended to be the main method that performs the task’s operations. Subclasses should implement this method to define the specific behavior of the task. This method is called when the task is executed.