Type Alias EdgeAlignOpts

Align this mol onto its parent template.

type EdgeAlignOpts = {
atom_map?: [number, number][];
min_atoms?: number;
}

Index

Properties

atom_map? min_atoms?

Properties

`Optional`atom_map

atom_map?: [number, number][]

Pairs (query_atom, template_atom). None → edge runs MCS.

`Optional`min_atoms

min_atoms?: number

Override [MIN_MCS_ATOMS] when set.