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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2021-24 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author David Sehnal <david.sehnal@gmail.com> */ import { CifFrame } from '../../../mol-io/reader/cif'; import { mmCIF_Schema } from '../../../mol-io/reader/cif/schema/mmcif'; import { CustomModelProperty } from '../../../mol-model-props/common/custom-model-property'; import { CustomProperty } from '../../../mol-model-props/common/custom-property'; import { Model, ResidueIndex } from '../../../mol-model/structure/model'; import { QuerySymbolRuntime } from '../../../mol-script/runtime/query/compiler'; import { ParamDefinition, ParamDefinition as PD } from '../../../mol-util/param-definition'; export { QualityAssessment }; interface QualityAssessment { local: QualityAssessment.Local[]; /** id -> metric info */ localMap: Map<number, QualityAssessment.Local>; /** default pLDDT metric */ pLDDT?: Map<ResidueIndex, number>; /** default qmean metric */ qmean?: Map<ResidueIndex, number>; /** * @deprecated * NOTE: Keeping this around in case someone is using it * TODO: Remove in Mol* 5.0 */ localMetrics: Map<string, Map<ResidueIndex, number>>; } declare namespace QualityAssessment { interface Local { id: number; kind?: 'pLDDT' | 'qmean'; type: mmCIF_Schema['ma_qa_metric']['type']['T']; name: string; domain?: [number, number]; valueRange: [number, number]; values: Map<ResidueIndex, number>; } interface Pairwise { id: number; name: string; residueRange: [ResidueIndex, ResidueIndex]; valueRange: [number, number]; values: Record<ResidueIndex, Record<ResidueIndex, number | undefined> | undefined>; } function isApplicable(model?: Model, localMetricName?: 'pLDDT' | 'qmean'): boolean; function getLocalOptions(model: Model | undefined, kind: 'pLDDT' | 'qmean'): ParamDefinition.Select<number> | ParamDefinition.Select<undefined>; function obtain(ctx: CustomProperty.Context, model: Model, props: QualityAssessmentProps): Promise<CustomProperty.Data<QualityAssessment>>; function findModelArchiveCIFPAEMetrics(frame: CifFrame): { id: number; name: string; }[]; function pairwiseMetricFromModelArchiveCIF(model: Model, frame: CifFrame, metricId: number): Pairwise | undefined; const symbols: { pLDDT: QuerySymbolRuntime; qmean: QuerySymbolRuntime; }; } export declare const QualityAssessmentParams: {}; export type QualityAssessmentParams = typeof QualityAssessmentParams; export type QualityAssessmentProps = PD.Values<QualityAssessmentParams>; export declare const QualityAssessmentProvider: CustomModelProperty.Provider<QualityAssessmentParams, QualityAssessment>;