autofragment.rules.common

Common chemical fragmentation rules.

This module provides universally applicable chemical fragmentation rules that preserve fundamental chemical structures like aromatic rings, multiple bonds, metal coordination, and functional groups.

Classes

AromaticRingRule([priority])

Never break bonds within aromatic ring systems.

DoubleBondRule([min_order, priority])

Never break double or triple bonds.

FunctionalGroupRule([groups, priority])

Keep common functional groups intact.

MetalCoordinationRule([metals, rule_action, ...])

Preserve metal-ligand coordination bonds.