/** * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Color } from '../../mol-util/color'; import { Location } from '../../mol-model/location'; import { StructureElement, Bond, Structure } from '../../mol-model/structure'; import { ColorTheme, LocationColor } from '../color'; import { ParamDefinition as PD } from '../../mol-util/param-definition' import { ThemeDataContext } from '../../mol-theme/theme'; import { TableLegend, ScaleLegend } from '../../mol-util/legend'; import { getPaletteParams, getPalette } from '../../mol-util/color/palette'; import { ColorLists } from '../../mol-util/color/lists'; const DefaultList = 'dark-2' const DefaultColor = Color(0xCCCCCC) const Description = 'Gives every polymer chain instance a unique color based on the position (index) of the polymer in the list of polymers in the structure.' export const PolymerIndexColorThemeParams = { ...getPaletteParams({ type: 'set', setList: DefaultList }), } export type PolymerIndexColorThemeParams = typeof PolymerIndexColorThemeParams export function getPolymerIndexColorThemeParams(ctx: ThemeDataContext) { const params = PD.clone(PolymerIndexColorThemeParams) if (ctx.structure) { if (getPolymerChainCount(ctx.structure.root) > ColorLists[DefaultList].list.length) { params.palette.defaultValue.name = 'scale' params.palette.defaultValue.params = { ...params.palette.defaultValue.params, list: 'red-yellow-blue' } } } return params } export type PolymerIndexColorThemeProps = PD.Values function getPolymerChainCount(structure: Structure) { let polymerChainCount = 0 const { units } = structure for (let i = 0, il = units.length; i 0) ++polymerChainCount } return polymerChainCount } export function PolymerIndexColorTheme(ctx: ThemeDataContext, props: PD.Values): ColorTheme { let color: LocationColor let legend: ScaleLegend | TableLegend | undefined if (ctx.structure) { const palette = getPalette(getPolymerChainCount(ctx.structure.root), props) legend = palette.legend const { units } = ctx.structure.root const unitIdColor = new Map() for (let i = 0, j = 0, il = units.length; i 0) { unitIdColor.set(units[i].id, palette.color(j)) ++j } } color = (location: Location): Color => { let color: Color | undefined if (StructureElement.Location.is(location)) { color = unitIdColor.get(location.unit.id) } else if (Bond.isLocation(location)) { color = unitIdColor.get(location.aUnit.id) } return color !== undefined ? color : DefaultColor } } else { color = () => DefaultColor } return { factory: PolymerIndexColorTheme, granularity: 'instance', color, props, description: Description, legend } } export const PolymerIndexColorThemeProvider: ColorTheme.Provider = { label: 'Polymer Chain Instance', category: ColorTheme.Category.Chain, factory: PolymerIndexColorTheme, getParams: getPolymerIndexColorThemeParams, defaultValues: PD.getDefaultValues(PolymerIndexColorThemeParams), isApplicable: (ctx: ThemeDataContext) => !!ctx.structure }