molstar
Version:
A comprehensive macromolecular library.
104 lines (103 loc) • 5.18 kB
TypeScript
/**
* Copyright (c) 2019-2020 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 { CustomProperty } from '../../mol-model-props/common/custom-property';
import { Structure, StructureQuery, StructureSelection } from '../../mol-model/structure';
import { PluginContext } from '../../mol-plugin/context';
import { Expression } from '../../mol-script/language/expression';
import { StateBuilder } from '../../mol-state';
import { RuntimeContext } from '../../mol-task';
import { PluginStateObject } from '../objects';
export declare enum StructureSelectionCategory {
Type = "Type",
Structure = "Structure Property",
Atom = "Atom Property",
Bond = "Bond Property",
Residue = "Residue Property",
AminoAcid = "Amino Acid",
NucleicBase = "Nucleic Base",
Manipulate = "Manipulate Selection",
Validation = "Validation",
Misc = "Miscellaneous",
Internal = "Internal"
}
export { StructureSelectionQuery };
interface StructureSelectionQuery {
readonly label: string;
readonly expression: Expression;
readonly description: string;
readonly category: string;
readonly isHidden: boolean;
readonly priority: number;
readonly referencesCurrent: boolean;
readonly query: StructureQuery;
readonly ensureCustomProperties?: (ctx: CustomProperty.Context, structure: Structure) => Promise<void>;
getSelection(plugin: PluginContext, runtime: RuntimeContext, structure: Structure): Promise<StructureSelection>;
}
interface StructureSelectionQueryProps {
description?: string;
category?: string;
isHidden?: boolean;
priority?: number;
referencesCurrent?: boolean;
ensureCustomProperties?: (ctx: CustomProperty.Context, structure: Structure) => Promise<void>;
}
declare function StructureSelectionQuery(label: string, expression: Expression, props?: StructureSelectionQueryProps): StructureSelectionQuery;
export declare function ResidueQuery([names, label]: [string[], string], category: string, priority?: number): StructureSelectionQuery;
export declare function ElementSymbolQuery([names, label]: [string[], string], category: string, priority: number): StructureSelectionQuery;
export declare function EntityDescriptionQuery([names, label]: [string[], string], category: string, priority: number): StructureSelectionQuery;
export declare function getElementQueries(structures: Structure[]): StructureSelectionQuery[];
export declare function getNonStandardResidueQueries(structures: Structure[]): StructureSelectionQuery[];
export declare function getPolymerAndBranchedEntityQueries(structures: Structure[]): StructureSelectionQuery[];
export declare function applyBuiltInSelection(to: StateBuilder.To<PluginStateObject.Molecule.Structure>, query: keyof typeof StructureSelectionQueries, customTag?: string): StateBuilder.To<PluginStateObject.Molecule.Structure, import("../../mol-state/transformer").StateTransformer<PluginStateObject.Molecule.Structure, PluginStateObject.Molecule.Structure, import("../../mol-util/param-definition").ParamDefinition.Normalize<{
expression: Expression;
label: string | undefined;
}>>>;
export declare const StructureSelectionQueries: {
all: StructureSelectionQuery;
current: StructureSelectionQuery;
polymer: StructureSelectionQuery;
trace: StructureSelectionQuery;
backbone: StructureSelectionQuery;
sidechain: StructureSelectionQuery;
sidechainWithTrace: StructureSelectionQuery;
protein: StructureSelectionQuery;
nucleic: StructureSelectionQuery;
helix: StructureSelectionQuery;
beta: StructureSelectionQuery;
water: StructureSelectionQuery;
ion: StructureSelectionQuery;
lipid: StructureSelectionQuery;
branched: StructureSelectionQuery;
branchedPlusConnected: StructureSelectionQuery;
branchedConnectedOnly: StructureSelectionQuery;
ligand: StructureSelectionQuery;
ligandPlusConnected: StructureSelectionQuery;
ligandConnectedOnly: StructureSelectionQuery;
connectedOnly: StructureSelectionQuery;
disulfideBridges: StructureSelectionQuery;
nosBridges: StructureSelectionQuery;
nonStandardPolymer: StructureSelectionQuery;
coarse: StructureSelectionQuery;
ring: StructureSelectionQuery;
aromaticRing: StructureSelectionQuery;
surroundings: StructureSelectionQuery;
surroundingLigands: StructureSelectionQuery;
surroundingAtoms: StructureSelectionQuery;
complement: StructureSelectionQuery;
covalentlyBonded: StructureSelectionQuery;
covalentlyOrMetallicBonded: StructureSelectionQuery;
covalentlyBondedComponent: StructureSelectionQuery;
wholeResidues: StructureSelectionQuery;
};
export declare class StructureSelectionQueryRegistry {
list: StructureSelectionQuery[];
options: [StructureSelectionQuery, string, string][];
version: number;
add(q: StructureSelectionQuery): void;
remove(q: StructureSelectionQuery): void;
constructor();
}