molstar
Version:
A comprehensive macromolecular library.
72 lines (71 loc) • 3.02 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 { OrderedSet } from '../../mol-data/int';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { getPaletteParams, getPalette } from '../../mol-util/color/palette';
import { ColorThemeCategory } from './categories';
const DefaultColor = Color(0xCCCCCC);
const Description = 'Gives every element (atom or coarse sphere/gaussian) a unique color based on the position (index) of the element in the list of elements in the structure.';
export const ElementIndexColorThemeParams = {
...getPaletteParams({ type: 'colors', colorList: 'red-yellow-blue' }),
};
export function getElementIndexColorThemeParams(ctx) {
return ElementIndexColorThemeParams; // TODO return copy
}
export function ElementIndexColorTheme(ctx, props) {
let color;
let legend;
if (ctx.structure) {
const { units } = ctx.structure.root;
const unitCount = units.length;
const cummulativeElementCount = new Map();
const unitIdIndex = new Map();
let elementCount = 0;
for (let i = 0; i < unitCount; ++i) {
cummulativeElementCount.set(i, elementCount);
elementCount += units[i].elements.length;
unitIdIndex.set(units[i].id, i);
}
const palette = getPalette(elementCount, props);
legend = palette.legend;
color = (location) => {
if (StructureElement.Location.is(location)) {
const unitIndex = unitIdIndex.get(location.unit.id);
const unitElementIndex = OrderedSet.findPredecessorIndex(units[unitIndex].elements, location.element);
return palette.color(cummulativeElementCount.get(unitIndex) + unitElementIndex);
}
else if (Bond.isLocation(location)) {
const unitIndex = unitIdIndex.get(location.aUnit.id);
const unitElementIndex = OrderedSet.findPredecessorIndex(units[unitIndex].elements, location.aUnit.elements[location.aIndex]);
return palette.color(cummulativeElementCount.get(unitIndex) + unitElementIndex);
}
return DefaultColor;
};
}
else {
color = () => DefaultColor;
}
return {
factory: ElementIndexColorTheme,
granularity: 'groupInstance',
preferSmoothing: true,
color,
props,
description: Description,
legend
};
}
export const ElementIndexColorThemeProvider = {
name: 'element-index',
label: 'Element Index',
category: ColorThemeCategory.Atom,
factory: ElementIndexColorTheme,
getParams: getElementIndexColorThemeParams,
defaultValues: PD.getDefaultValues(ElementIndexColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};