/** * 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 } from '../../mol-model/structure'; import { OrderedSet } from '../../mol-data/int'; import { ColorTheme, LocationColor } from '../color'; import { ParamDefinition as PD } from '../../mol-util/param-definition'; import { ThemeDataContext } from '../../mol-theme/theme'; import { getPaletteParams, getPalette } from '../../mol-util/color/palette'; import { TableLegend, ScaleLegend } from '../../mol-util/legend'; const DefaultColor = Color(0xCCCCCC); const Description = 'Gives every element (atom or coarse sphere/gaussian) a unique color based on the position (index) of the element in the list of elements in the structure.'; export const ElementIndexColorThemeParams = { ...getPaletteParams({ type: 'colors', colorList: 'red-yellow-blue' }), }; export type ElementIndexColorThemeParams = typeof ElementIndexColorThemeParams export function getElementIndexColorThemeParams(ctx: ThemeDataContext) { return ElementIndexColorThemeParams; // TODO return copy } export function ElementIndexColorTheme(ctx: ThemeDataContext, props: PD.Values): ColorTheme { let color: LocationColor; let legend: ScaleLegend | TableLegend | undefined; if (ctx.structure) { const { units } = ctx.structure.root; const unitCount = units.length; const cummulativeElementCount = new Map(); const unitIdIndex = new Map(); let elementCount = 0; for (let i = 0; i < unitCount; ++i) { cummulativeElementCount.set(i, elementCount); elementCount += units[i].elements.length; unitIdIndex.set(units[i].id, i); } const palette = getPalette(elementCount, props); legend = palette.legend; color = (location: Location): Color => { if (StructureElement.Location.is(location)) { const unitIndex = unitIdIndex.get(location.unit.id)!; const unitElementIndex = OrderedSet.findPredecessorIndex(units[unitIndex].elements, location.element); return palette.color(cummulativeElementCount.get(unitIndex)! + unitElementIndex); } else if (Bond.isLocation(location)) { const unitIndex = unitIdIndex.get(location.aUnit.id)!; const unitElementIndex = OrderedSet.findPredecessorIndex(units[unitIndex].elements, location.aUnit.elements[location.aIndex]); return palette.color(cummulativeElementCount.get(unitIndex)! + unitElementIndex); } return DefaultColor; }; } else { color = () => DefaultColor; } return { factory: ElementIndexColorTheme, granularity: 'groupInstance', preferSmoothing: true, color, props, description: Description, legend }; } export const ElementIndexColorThemeProvider: ColorTheme.Provider = { name: 'element-index', label: 'Element Index', category: ColorTheme.Category.Atom, factory: ElementIndexColorTheme, getParams: getElementIndexColorThemeParams, defaultValues: PD.getDefaultValues(ElementIndexColorThemeParams), isApplicable: (ctx: ThemeDataContext) => !!ctx.structure };