/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Sebastian Bittrich * @author Alexander Rose */ import { Task } from '../../../mol-task/index.js'; import { ParamDefinition as PD } from '../../../mol-util/param-definition.js'; import { Structure, StructureElement } from '../../../mol-model/structure.js'; export declare const ShrakeRupleyComputationParams: { numberOfSpherePoints: PD.Numeric; probeSize: PD.Numeric; nonPolymer: PD.BooleanParam; traceOnly: PD.BooleanParam; }; export type ShrakeRupleyComputationParams = typeof ShrakeRupleyComputationParams; export type ShrakeRupleyComputationProps = PD.Values; export { AccessibleSurfaceArea }; interface AccessibleSurfaceArea { readonly serialResidueIndex: ArrayLike; readonly area: ArrayLike; } declare namespace AccessibleSurfaceArea { /** * Adapts the BioJava implementation by Jose Duarte. That implementation is based on the publication by Shrake, A., and * J. A. Rupley. "Environment and Exposure to Solvent of Protein Atoms. Lysozyme and Insulin." JMB (1973). */ function compute(structure: Structure, props?: Partial): Task; const enum Flags { NA = 0, Buried = 1, Accessible = 2 } const Flag: { readonly NA: Flags.NA; readonly Buried: Flags.Buried; readonly Accessible: Flags.Accessible; }; type Flag = (typeof Flag)[keyof typeof Flag]; /** Get relative area for a given component id */ function normalize(compId: string, asa: number): number; function getValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): number; function getNormalizedValue(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): number; function getFlag(location: StructureElement.Location, accessibleSurfaceArea: AccessibleSurfaceArea): Flags; }