/** * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author David Sehnal */ import { StructureQualityReport, StructureQualityReportProvider } from '../../../mol-model-props/pdbe/structure-quality-report'; import { Location } from '../../../mol-model/location'; import { StructureElement } from '../../../mol-model/structure'; import { ColorTheme, LocationColor } from '../../../mol-theme/color'; import { ThemeDataContext } from '../../../mol-theme/theme'; import { Color } from '../../../mol-util/color'; import { TableLegend } from '../../../mol-util/legend'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { CustomProperty } from '../../common/custom-property'; const ValidationColors = [ Color.fromRgb(170, 170, 170), // not applicable Color.fromRgb(0, 255, 0), // 0 issues Color.fromRgb(255, 255, 0), // 1 Color.fromRgb(255, 128, 0), // 2 Color.fromRgb(255, 0, 0), // 3 or more ] const ValidationColorTable: [string, Color][] = [ ['No Issues', ValidationColors[1]], ['One Issue', ValidationColors[2]], ['Two Issues', ValidationColors[3]], ['Three Or More Issues', ValidationColors[4]], ['Not Applicable', ValidationColors[9]] ] export const StructureQualityReportColorThemeParams = { type: PD.MappedStatic('issue-count', { 'issue-count': PD.Group({}), 'specific-issue': PD.Group({ kind: PD.Text() }) }) }; type Params = typeof StructureQualityReportColorThemeParams export function StructureQualityReportColorTheme(ctx: ThemeDataContext, props: PD.Values): ColorTheme { let color: LocationColor if (ctx.structure && !ctx.structure.isEmpty && ctx.structure.models[0].customProperties.has(StructureQualityReportProvider.descriptor)) { const getIssues = StructureQualityReport.getIssues; if (props.type.name === 'issue-count') { color = (location: Location) => { if (StructureElement.Location.is(location)) { return ValidationColors[Math.min(3, getIssues(location).length) + 1]; } return ValidationColors[0]; } } else { const issue = props.type.params.kind; color = (location: Location) => { if (StructureElement.Location.is(location) && getIssues(location).indexOf(issue) >= 0) { return ValidationColors[4]; } return ValidationColors[0]; } } } else { color = () => ValidationColors[0]; } return { factory: StructureQualityReportColorTheme, granularity: 'group', color: color, props: props, description: 'Assigns residue colors according to the number of quality issues or a specific quality issue. Data from wwPDB Validation Report, obtained via PDBe.', legend: TableLegend(ValidationColorTable) } } export const StructureQualityReportColorThemeProvider: ColorTheme.Provider = { name: 'pdbe-structure-quality-report', label: 'Structure Quality Report', category: ColorTheme.Category.Validation, factory: StructureQualityReportColorTheme, getParams: ctx => { const issueTypes = StructureQualityReport.getIssueTypes(ctx.structure); if (issueTypes.length === 0) { return { type: PD.MappedStatic('issue-count', { 'issue-count': PD.Group({}) }) }; } return { type: PD.MappedStatic('issue-count', { 'issue-count': PD.Group({}), 'specific-issue': PD.Group({ kind: PD.Select(issueTypes[0], PD.arrayToOptions(issueTypes)) }, { isFlat: true }) }) }; }, defaultValues: PD.getDefaultValues(StructureQualityReportColorThemeParams), isApplicable: (ctx: ThemeDataContext) => StructureQualityReport.isApplicable(ctx.structure?.models[0]), ensureCustomProperties: { attach: (ctx: CustomProperty.Context, data: ThemeDataContext) => data.structure ? StructureQualityReportProvider.attach(ctx, data.structure.models[0], void 0, true) : Promise.resolve(), detach: (data) => data.structure && data.structure.models[0].customProperties.reference(StructureQualityReportProvider.descriptor, false) } }