molstar
Version:
A comprehensive macromolecular library.
84 lines • 3.66 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.AtomIdColorTheme = exports.getAtomIdColorThemeParams = exports.AtomIdColorThemeParams = void 0;
var tslib_1 = require("tslib");
var structure_1 = require("../../mol-model/structure");
var color_1 = require("../../mol-util/color");
var param_definition_1 = require("../../mol-util/param-definition");
var palette_1 = require("../../mol-util/color/palette");
var DefaultList = 'many-distinct';
var DefaultColor = (0, color_1.Color)(0xFAFAFA);
var Description = 'Gives every atom a color based on its `label_atom_id` value.';
exports.AtomIdColorThemeParams = (0, tslib_1.__assign)({}, (0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }));
function getAtomIdColorThemeParams(ctx) {
var params = param_definition_1.ParamDefinition.clone(exports.AtomIdColorThemeParams);
return params;
}
exports.getAtomIdColorThemeParams = getAtomIdColorThemeParams;
function getAtomIdSerialMap(structure) {
var map = new Map();
for (var _i = 0, _a = structure.models; _i < _a.length; _i++) {
var m = _a[_i];
var label_atom_id = m.atomicHierarchy.atoms.label_atom_id;
for (var i = 0, il = label_atom_id.rowCount; i < il; ++i) {
var id = label_atom_id.value(i);
if (!map.has(id))
map.set(id, map.size);
}
}
return map;
}
function AtomIdColorTheme(ctx, props) {
var color;
var legend;
if (ctx.structure) {
var l_1 = structure_1.StructureElement.Location.create(ctx.structure.root);
var atomIdSerialMap_1 = getAtomIdSerialMap(ctx.structure.root);
var labelTable_1 = Array.from(atomIdSerialMap_1.keys());
var valueLabel = function (i) { return labelTable_1[i]; };
var palette_2 = (0, palette_1.getPalette)(atomIdSerialMap_1.size, props, { valueLabel: valueLabel });
legend = palette_2.legend;
color = function (location) {
var serial = undefined;
if (structure_1.StructureElement.Location.is(location)) {
var id = structure_1.StructureProperties.atom.label_atom_id(location);
serial = atomIdSerialMap_1.get(id);
}
else if (structure_1.Bond.isLocation(location)) {
l_1.unit = location.aUnit;
l_1.element = location.aUnit.elements[location.aIndex];
var id = structure_1.StructureProperties.atom.label_atom_id(l_1);
serial = atomIdSerialMap_1.get(id);
}
return serial === undefined ? DefaultColor : palette_2.color(serial);
};
}
else {
color = function () { return DefaultColor; };
}
return {
factory: AtomIdColorTheme,
granularity: 'group',
preferSmoothing: true,
color: color,
props: props,
description: Description,
legend: legend
};
}
exports.AtomIdColorTheme = AtomIdColorTheme;
exports.AtomIdColorThemeProvider = {
name: 'atom-id',
label: 'Atom Id',
category: "Atom Property" /* Atom */,
factory: AtomIdColorTheme,
getParams: getAtomIdColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.AtomIdColorThemeParams),
isApplicable: function (ctx) { return !!ctx.structure; }
};
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