Source code for prolint.computers.base

"""Base contact computation module.

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

from abc import ABC
from MDAnalysis.analysis.base import AnalysisBase


[docs] class ContactComputerBase(AnalysisBase, 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 """ def __add__(self, other): """Combine contacts from two computations.""" pass
[docs] def intersection(self, other): """Find contacts common to both computations.""" pass
[docs] def union(self, other): """Combine all contacts from both computations.""" pass