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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { Color, ColorScale } from '../../../mol-util/color'; import { ParamDefinition as PD } from '../../../mol-util/param-definition'; import { CrossLinkRestraintProvider, CrossLinkRestraint } from './property'; var DefaultColor = Color(0xCCCCCC); var Description = 'Colors cross-links by the deviation of the observed distance versus the modeled distance (e.g. modeled / `ihm_cross_link_restraint.distance_threshold`).'; export var CrossLinkColorThemeParams = { domain: PD.Interval([0.5, 1.5], { step: 0.01 }), list: PD.ColorList('red-grey', { presetKind: 'scale' }), }; export function getCrossLinkColorThemeParams(ctx) { return CrossLinkColorThemeParams; // TODO return copy } export function CrossLinkColorTheme(ctx, props) { var color; var scale = undefined; var crossLinkRestraints = ctx.structure && CrossLinkRestraintProvider.get(ctx.structure).value; if (crossLinkRestraints) { scale = ColorScale.create({ domain: props.domain, listOrName: props.list.colors }); var scaleColor_1 = scale.color; color = function (location) { if (CrossLinkRestraint.isLocation(location)) { var pair = crossLinkRestraints.pairs[location.element]; if (pair) { return scaleColor_1(CrossLinkRestraint.distance(pair) / pair.distanceThreshold); } } return DefaultColor; }; } else { color = function () { return DefaultColor; }; } return { factory: CrossLinkColorTheme, granularity: 'group', color: color, props: props, description: Description, legend: scale ? scale.legend : undefined }; } export var CrossLinkColorThemeProvider = { name: 'cross-link', label: 'Cross Link', category: "Miscellaneous" /* ColorTheme.Category.Misc */, factory: CrossLinkColorTheme, getParams: getCrossLinkColorThemeParams, defaultValues: PD.getDefaultValues(CrossLinkColorThemeParams), isApplicable: function (ctx) { return !!ctx.structure && CrossLinkRestraint.isApplicable(ctx.structure); }, ensureCustomProperties: { attach: function (ctx, data) { return data.structure ? CrossLinkRestraintProvider.attach(ctx, data.structure, void 0, true) : Promise.resolve(); }, detach: function (data) { return data.structure && CrossLinkRestraintProvider.ref(data.structure, false); } } };