@iktos-oss/rdkit-provider
Version:
exports an initialized RDKit instance, with helper functions
36 lines (35 loc) • 1.13 kB
TypeScript
import { type CIPBonds, type CIPAtoms } from './worker/types';
import { type DeprecatedMoleculeBasicDetails, type Descriptors } from './worker/utils/chem';
export type RDKitColor = [number, number, number] | [number, number, number, number];
/** output types */
export type GetSVGOutputType = {
svg: string | null;
};
export type IsChiralOutputType = boolean;
export type GetMorganFpOutputType = string;
export type IsValidOutputType = {
isValid: boolean;
};
export type GetCanonicalFormOutputType = {
canonicalForm: string | null;
};
export type HasMatchingOutputType = {
matching: boolean;
};
export type GetSubstructureMatchOutputType = {
matchingAtoms: number[];
matchingBonds: number[];
} | null;
export type GetMoleculeDetailsOutputType = Descriptors | null;
export type Deprecated_GetMoleculeDetailsOutputType = DeprecatedMoleculeBasicDetails | null;
export type ConvertMolNotationOutputType = {
structure: string | null;
};
export type GetMDLOutputType = {
mdl: string | null;
};
export type GetSteroTagsOutputType = {
CIP_atoms: CIPAtoms;
CIP_bonds: CIPBonds;
};
/** output types */