prolint.computers.base

Base contact computation module.

This module provides the abstract base class for contact detection algorithms.

Classes

ContactComputerBase

Abstract base class for contact computation algorithms.

Module Contents

class prolint.computers.base.ContactComputerBase(trajectory, verbose=False, **kwargs)

Bases: MDAnalysis.analysis.base.AnalysisBase, abc.ABC

Abstract base class for contact computation algorithms.

Extends MDAnalysis AnalysisBase with contact-specific operations. Subclasses implement specific algorithms for detecting contacts between atom groups.

See also

SerialContacts

Concrete implementation using grid-based search

intersection(other)

Find contacts common to both computations.

union(other)

Combine all contacts from both computations.