molstar
Version:
A comprehensive macromolecular library.
77 lines (76 loc) • 3.4 kB
JavaScript
;
/**
* Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.ElementIndexColorThemeProvider = exports.ElementIndexColorThemeParams = void 0;
exports.getElementIndexColorThemeParams = getElementIndexColorThemeParams;
exports.ElementIndexColorTheme = ElementIndexColorTheme;
const color_1 = require("../../mol-util/color");
const structure_1 = require("../../mol-model/structure");
const int_1 = require("../../mol-data/int");
const param_definition_1 = require("../../mol-util/param-definition");
const palette_1 = require("../../mol-util/color/palette");
const categories_1 = require("./categories");
const DefaultColor = (0, color_1.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.';
exports.ElementIndexColorThemeParams = {
...(0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'red-yellow-blue' }),
};
function getElementIndexColorThemeParams(ctx) {
return exports.ElementIndexColorThemeParams; // TODO return copy
}
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 = (0, palette_1.getPalette)(elementCount, props);
legend = palette.legend;
color = (location) => {
if (structure_1.StructureElement.Location.is(location)) {
const unitIndex = unitIdIndex.get(location.unit.id);
const unitElementIndex = int_1.OrderedSet.findPredecessorIndex(units[unitIndex].elements, location.element);
return palette.color(cummulativeElementCount.get(unitIndex) + unitElementIndex);
}
else if (structure_1.Bond.isLocation(location)) {
const unitIndex = unitIdIndex.get(location.aUnit.id);
const unitElementIndex = int_1.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
};
}
exports.ElementIndexColorThemeProvider = {
name: 'element-index',
label: 'Element Index',
category: categories_1.ColorThemeCategory.Atom,
factory: ElementIndexColorTheme,
getParams: getElementIndexColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementIndexColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};