/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { Color } from '../../mol-util/color'; import { StructureElement, Link, Structure } from '../../mol-model/structure'; import { Location } from '../../mol-model/location'; import { ColorTheme, LocationColor } from '../color'; import { ParamDefinition as PD } from '../../mol-util/param-definition' import { ThemeDataContext } from '../theme'; import { getPaletteParams, getPalette } from '../../mol-util/color/palette'; import { ScaleLegend, TableLegend } from '../../mol-util/legend'; const DefaultColor = Color(0xCCCCCC) const Description = `Assigns a color based on the operator name of a transformed chain.` export const OperatorNameColorThemeParams = { ...getPaletteParams({ type: 'set', setList: 'dark-2' }), } export type OperatorNameColorThemeParams = typeof OperatorNameColorThemeParams export function getOperatorNameColorThemeParams(ctx: ThemeDataContext) { const params = PD.clone(OperatorNameColorThemeParams) if (ctx.structure) { if (getOperatorNameSerialMap(ctx.structure.root).size > 12) { params.palette.defaultValue.name = 'scale' params.palette.defaultValue.params = { ...params.palette.defaultValue.params, list: 'red-yellow-blue' } } } return params } function getOperatorNameSerialMap(structure: Structure) { const map = new Map() for (let i = 0, il = structure.units.length; i < il; ++i) { const name = structure.units[i].conformation.operator.name if (!map.has(name)) map.set(name, map.size) } return map } export function OperatorNameColorTheme(ctx: ThemeDataContext, props: PD.Values): ColorTheme { let color: LocationColor let legend: ScaleLegend | TableLegend | undefined if (ctx.structure) { const operatorNameSerialMap = getOperatorNameSerialMap(ctx.structure.root) const labelTable = Array.from(operatorNameSerialMap.keys()) props.palette.params.valueLabel = (i: number) => labelTable[i] const palette = getPalette(operatorNameSerialMap.size, props) legend = palette.legend color = (location: Location): Color => { let serial: number | undefined = undefined if (StructureElement.Location.is(location)) { const name = location.unit.conformation.operator.name serial = operatorNameSerialMap.get(name) } else if (Link.isLocation(location)) { const name = location.aUnit.conformation.operator.name serial = operatorNameSerialMap.get(name) } return serial === undefined ? DefaultColor : palette.color(serial) } } else { color = () => DefaultColor } return { factory: OperatorNameColorTheme, granularity: 'instance', color, props, description: Description, legend } } export const OperatorNameColorThemeProvider: ColorTheme.Provider = { label: 'Operator Name', factory: OperatorNameColorTheme, getParams: getOperatorNameColorThemeParams, defaultValues: PD.getDefaultValues(OperatorNameColorThemeParams), isApplicable: (ctx: ThemeDataContext) => !!ctx.structure }