Type Alias AlignToSpec

Object form of document align_to (template ref + EdgePlan-style opts).

type AlignToSpec = {
    atom_map?: [number, number][];
    min_atoms?: number;
    ref: string;
}

Index

Properties

atom_map? min_atoms? ref

Properties

`Optional`atom_map

atom_map?: [number, number][]

Pairs (query, template) vs the template; skips MCS when set.

`Optional`min_atoms

min_atoms?: number

Override [crate::edge::MIN_MCS_ATOMS] when set.

ref

ref: string

Id of the template mol in this group.