Interface HoseCodesOptions

interface HoseCodesOptions {
maxSphereSize: number;
type: 0 | 1;
}

Index

Properties

maxSphereSize type

Properties

maxSphereSize

maxSphereSize: number

Maximum number of atoms from the center. Default: 5.

type

type: 0 | 1

Type of HOSE code. 0: normal HOSE code. 1: stop if Csp3-Csp3. Default: 0.