molstar
Version:
A comprehensive macromolecular library.
42 lines (41 loc) • 2.48 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 { GaussianSurfaceMeshParams, StructureGaussianSurfaceVisual, GaussianSurfaceVisual } from '../visual/gaussian-surface-mesh';
import { UnitsRepresentation } from '../units-representation';
import { GaussianWireframeVisual, GaussianWireframeParams } from '../visual/gaussian-surface-wireframe';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { StructureRepresentationProvider, StructureRepresentationStateBuilder, ComplexRepresentation } from '../representation';
import { Representation } from '../../../mol-repr/representation';
import { BaseGeometry } from '../../../mol-geo/geometry/base';
const GaussianSurfaceVisuals = {
'gaussian-surface-mesh': (ctx, getParams) => UnitsRepresentation('Gaussian surface mesh', ctx, getParams, GaussianSurfaceVisual),
'structure-gaussian-surface-mesh': (ctx, getParams) => ComplexRepresentation('Structure-Gaussian surface mesh', ctx, getParams, StructureGaussianSurfaceVisual),
'gaussian-surface-wireframe': (ctx, getParams) => UnitsRepresentation('Gaussian surface wireframe', ctx, getParams, GaussianWireframeVisual),
};
export const GaussianSurfaceParams = {
...GaussianSurfaceMeshParams,
...GaussianWireframeParams,
visuals: PD.MultiSelect(['gaussian-surface-mesh'], PD.objectToOptions(GaussianSurfaceVisuals)),
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 getGaussianSurfaceParams(ctx, structure) {
return GaussianSurfaceParams;
}
export function GaussianSurfaceRepresentation(ctx, getParams) {
return Representation.createMulti('Gaussian Surface', ctx, getParams, StructureRepresentationStateBuilder, GaussianSurfaceVisuals);
}
export const GaussianSurfaceRepresentationProvider = StructureRepresentationProvider({
name: 'gaussian-surface',
label: 'Gaussian Surface',
description: 'Displays a gaussian molecular surface.',
factory: GaussianSurfaceRepresentation,
getParams: getGaussianSurfaceParams,
defaultValues: PD.getDefaultValues(GaussianSurfaceParams),
defaultColorTheme: { name: 'chain-id' },
defaultSizeTheme: { name: 'physical' },
isApplicable: (structure) => structure.elementCount > 0
});