molstar
Version:
A comprehensive macromolecular library.
85 lines (84 loc) • 3.34 kB
JavaScript
;
/**
* Copyright (c) 2021 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.AtomIdColorThemeProvider = exports.AtomIdColorThemeParams = void 0;
exports.getAtomIdColorThemeParams = getAtomIdColorThemeParams;
exports.AtomIdColorTheme = AtomIdColorTheme;
const structure_1 = require("../../mol-model/structure");
const color_1 = require("../../mol-util/color");
const param_definition_1 = require("../../mol-util/param-definition");
const palette_1 = require("../../mol-util/color/palette");
const categories_1 = require("./categories");
const DefaultList = 'many-distinct';
const DefaultColor = (0, color_1.Color)(0xFAFAFA);
const Description = 'Gives every atom a color based on its `label_atom_id` value.';
exports.AtomIdColorThemeParams = {
...(0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }),
};
function getAtomIdColorThemeParams(ctx) {
const params = param_definition_1.ParamDefinition.clone(exports.AtomIdColorThemeParams);
return params;
}
function getAtomIdSerialMap(structure) {
const map = new Map();
for (const m of structure.models) {
const { label_atom_id } = m.atomicHierarchy.atoms;
for (let i = 0, il = label_atom_id.rowCount; i < il; ++i) {
const id = label_atom_id.value(i);
if (!map.has(id))
map.set(id, map.size);
}
}
return map;
}
function AtomIdColorTheme(ctx, props) {
let color;
let legend;
if (ctx.structure) {
const l = structure_1.StructureElement.Location.create(ctx.structure.root);
const atomIdSerialMap = getAtomIdSerialMap(ctx.structure.root);
const labelTable = Array.from(atomIdSerialMap.keys());
const valueLabel = (i) => labelTable[i];
const palette = (0, palette_1.getPalette)(atomIdSerialMap.size, props, { valueLabel });
legend = palette.legend;
color = (location) => {
let serial = undefined;
if (structure_1.StructureElement.Location.is(location)) {
const id = structure_1.StructureProperties.atom.label_atom_id(location);
serial = atomIdSerialMap.get(id);
}
else if (structure_1.Bond.isLocation(location)) {
l.unit = location.aUnit;
l.element = location.aUnit.elements[location.aIndex];
const id = structure_1.StructureProperties.atom.label_atom_id(l);
serial = atomIdSerialMap.get(id);
}
return serial === undefined ? DefaultColor : palette.color(serial);
};
}
else {
color = () => DefaultColor;
}
return {
factory: AtomIdColorTheme,
granularity: 'group',
preferSmoothing: true,
color,
props,
description: Description,
legend
};
}
exports.AtomIdColorThemeProvider = {
name: 'atom-id',
label: 'Atom Id',
category: categories_1.ColorThemeCategory.Atom,
factory: AtomIdColorTheme,
getParams: getAtomIdColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.AtomIdColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};