molstar
Version:
A comprehensive macromolecular library.
42 lines (41 loc) • 2.55 kB
JavaScript
/**
* Copyright (c) 2018-2024 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { MolecularSurfaceMeshVisual, MolecularSurfaceMeshParams, StructureMolecularSurfaceMeshVisual } from '../visual/molecular-surface-mesh';
import { UnitsRepresentation } from '../units-representation';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { ComplexRepresentation, StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation';
import { Representation } from '../../../mol-repr/representation';
import { MolecularSurfaceWireframeParams, MolecularSurfaceWireframeVisual } from '../visual/molecular-surface-wireframe';
import { BaseGeometry } from '../../../mol-geo/geometry/base';
const MolecularSurfaceVisuals = {
'molecular-surface-mesh': (ctx, getParams) => UnitsRepresentation('Molecular surface mesh', ctx, getParams, MolecularSurfaceMeshVisual),
'structure-molecular-surface-mesh': (ctx, getParams) => ComplexRepresentation('Structure Molecular surface mesh', ctx, getParams, StructureMolecularSurfaceMeshVisual),
'molecular-surface-wireframe': (ctx, getParams) => UnitsRepresentation('Molecular surface wireframe', ctx, getParams, MolecularSurfaceWireframeVisual),
};
export const MolecularSurfaceParams = {
...MolecularSurfaceMeshParams,
...MolecularSurfaceWireframeParams,
visuals: PD.MultiSelect(['molecular-surface-mesh'], PD.objectToOptions(MolecularSurfaceVisuals)),
bumpFrequency: PD.Numeric(1, { min: 0, max: 10, step: 0.1 }, BaseGeometry.ShadingCategory),
density: PD.Numeric(0.5, { min: 0, max: 1, step: 0.01 }, BaseGeometry.ShadingCategory),
};
export function getMolecularSurfaceParams(ctx, structure) {
return MolecularSurfaceParams;
}
export function MolecularSurfaceRepresentation(ctx, getParams) {
return Representation.createMulti('Molecular Surface', ctx, getParams, StructureRepresentationStateBuilder, MolecularSurfaceVisuals);
}
export const MolecularSurfaceRepresentationProvider = StructureRepresentationProvider({
name: 'molecular-surface',
label: 'Molecular Surface',
description: 'Displays a molecular surface.',
factory: MolecularSurfaceRepresentation,
getParams: getMolecularSurfaceParams,
defaultValues: PD.getDefaultValues(MolecularSurfaceParams),
defaultColorTheme: { name: 'chain-id' },
defaultSizeTheme: { name: 'physical' },
isApplicable: (structure) => structure.elementCount > 0
});