molstar
Version:
A comprehensive macromolecular library.
86 lines (85 loc) • 3.24 kB
JavaScript
/**
* Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Color } from '../../mol-util/color';
import { StructureElement, Bond } from '../../mol-model/structure';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { ColorLists, getColorListFromName } from '../../mol-util/color/lists';
import { ColorThemeCategory } from './categories';
const DefaultList = 'dark-2';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every polymer chain instance a unique color based on the position (index) of the polymer in the list of polymers in the structure.';
export const PolymerIndexColorThemeParams = {
...getPaletteParams({ type: 'colors', colorList: DefaultList }),
};
export function getPolymerIndexColorThemeParams(ctx) {
const params = PD.clone(PolymerIndexColorThemeParams);
if (ctx.structure) {
if (getPolymerChainCount(ctx.structure.root) > ColorLists[DefaultList].list.length) {
params.palette.defaultValue.name = 'colors';
params.palette.defaultValue.params = {
...params.palette.defaultValue.params,
list: { kind: 'interpolate', colors: getColorListFromName(DefaultList).list }
};
}
}
return params;
}
function getPolymerChainCount(structure) {
let polymerChainCount = 0;
const { units } = structure;
for (let i = 0, il = units.length; i < il; ++i) {
if (units[i].polymerElements.length > 0)
++polymerChainCount;
}
return polymerChainCount;
}
export function PolymerIndexColorTheme(ctx, props) {
let color;
let legend;
if (ctx.structure) {
const palette = getPalette(getPolymerChainCount(ctx.structure.root), props);
legend = palette.legend;
const { units } = ctx.structure.root;
const unitIdColor = new Map();
for (let i = 0, j = 0, il = units.length; i < il; ++i) {
if (units[i].polymerElements.length > 0) {
unitIdColor.set(units[i].id, palette.color(j));
++j;
}
}
color = (location) => {
let color;
if (StructureElement.Location.is(location)) {
color = unitIdColor.get(location.unit.id);
}
else if (Bond.isLocation(location)) {
color = unitIdColor.get(location.aUnit.id);
}
return color !== undefined ? color : DefaultColor;
};
}
else {
color = () => DefaultColor;
}
return {
factory: PolymerIndexColorTheme,
granularity: 'instance',
color,
props,
description: Description,
legend
};
}
export const PolymerIndexColorThemeProvider = {
name: 'polymer-index',
label: 'Polymer Chain Instance',
category: ColorThemeCategory.Chain,
factory: PolymerIndexColorTheme,
getParams: getPolymerIndexColorThemeParams,
defaultValues: PD.getDefaultValues(PolymerIndexColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};