molstar
Version:
A comprehensive macromolecular library.
73 lines (72 loc) • 2.75 kB
JavaScript
/**
* Copyright (c) 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 { ColorThemeCategory } from './categories';
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 function getOperatorNameColorThemeParams(ctx) {
const params = PD.clone(OperatorNameColorThemeParams);
return params;
}
function getOperatorNameSerialMap(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, props) {
let color;
let legend;
if (ctx.structure) {
const operatorNameSerialMap = getOperatorNameSerialMap(ctx.structure.root);
const labelTable = Array.from(operatorNameSerialMap.keys());
const valueLabel = (i) => labelTable[i];
const palette = getPalette(operatorNameSerialMap.size, props, { valueLabel });
legend = palette.legend;
color = (location) => {
let serial = 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 = {
name: 'operator-name',
label: 'Operator Name',
category: ColorThemeCategory.Symmetry,
factory: OperatorNameColorTheme,
getParams: getOperatorNameColorThemeParams,
defaultValues: PD.getDefaultValues(OperatorNameColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};