/** * 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, Bond, 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 DefaultList = 'many-distinct'; const DefaultColor = Color(0xCCCCCC); const Description = `Assigns a color based on the operator name of a transformed chain.`; export const OperatorNameColorThemeParams = { ...getPaletteParams({ type: 'colors', colorList: DefaultList }), }; export type OperatorNameColorThemeParams = typeof OperatorNameColorThemeParams export function getOperatorNameColorThemeParams(ctx: ThemeDataContext) { const params = PD.clone(OperatorNameColorThemeParams); 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 (Bond.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 = { name: 'operator-name', label: 'Operator Name', category: ColorTheme.Category.Symmetry, factory: OperatorNameColorTheme, getParams: getOperatorNameColorThemeParams, defaultValues: PD.getDefaultValues(OperatorNameColorThemeParams), isApplicable: (ctx: ThemeDataContext) => !!ctx.structure };