/** * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Color, ColorScale } from '../../../mol-util/color'; import { Location } from '../../../mol-model/location'; import { ParamDefinition as PD } from '../../../mol-util/param-definition' import { ThemeDataContext } from '../../../mol-theme/theme'; import { ColorTheme, LocationColor } from '../../../mol-theme/color'; import { CustomProperty } from '../../common/custom-property'; import { CrossLinkRestraintProvider, CrossLinkRestraint } from './property'; const DefaultColor = Color(0xCCCCCC) const Description = 'Colors cross-links by the deviation of the observed distance versus the modeled distance (e.g. modeled / `ihm_cross_link_restraint.distance_threshold`).' export const CrossLinkColorThemeParams = { domain: PD.Interval([0.5, 1.5], { step: 0.01 }), list: PD.ColorList('red-grey', { presetKind: 'scale' }), } export type CrossLinkColorThemeParams = typeof CrossLinkColorThemeParams export function getCrossLinkColorThemeParams(ctx: ThemeDataContext) { return CrossLinkColorThemeParams // TODO return copy } export function CrossLinkColorTheme(ctx: ThemeDataContext, props: PD.Values): ColorTheme { let color: LocationColor let scale: ColorScale | undefined = undefined const crossLinkRestraints = ctx.structure && CrossLinkRestraintProvider.get(ctx.structure).value if (crossLinkRestraints) { scale = ColorScale.create({ domain: props.domain, listOrName: props.list.colors }) const scaleColor = scale.color color = (location: Location): Color => { if (CrossLinkRestraint.isLocation(location)) { const pair = crossLinkRestraints.pairs[location.element] if (pair) { return scaleColor(CrossLinkRestraint.distance(pair) / pair.distanceThreshold) } } return DefaultColor } } else { color = () => DefaultColor } return { factory: CrossLinkColorTheme, granularity: 'group', color, props, description: Description, legend: scale ? scale.legend : undefined } } export const CrossLinkColorThemeProvider: ColorTheme.Provider = { name: 'cross-link', label: 'Cross Link', category: ColorTheme.Category.Misc, factory: CrossLinkColorTheme, getParams: getCrossLinkColorThemeParams, defaultValues: PD.getDefaultValues(CrossLinkColorThemeParams), isApplicable: (ctx: ThemeDataContext) => !!ctx.structure && CrossLinkRestraint.isApplicable(ctx.structure), ensureCustomProperties: { attach: (ctx: CustomProperty.Context, data: ThemeDataContext) => data.structure ? CrossLinkRestraintProvider.attach(ctx, data.structure, void 0, true) : Promise.resolve(), detach: (_, data) => data.structure && data.structure.customPropertyDescriptors.reference(CrossLinkRestraintProvider.descriptor, false) } }