molstar
Version:
A comprehensive macromolecular library.
66 lines • 2.79 kB
JavaScript
;
/**
* Copyright (c) 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.OccupancyColorThemeProvider = exports.OccupancyColorTheme = exports.getOccupancy = exports.getOccupancyColorThemeParams = exports.OccupancyColorThemeParams = void 0;
var color_1 = require("../../mol-util/color");
var structure_1 = require("../../mol-model/structure");
var param_definition_1 = require("../../mol-util/param-definition");
var DefaultOccupancyColor = (0, color_1.Color)(0xCCCCCC);
var Description = "Assigns a color based on the occupancy of an atom.";
exports.OccupancyColorThemeParams = {
domain: param_definition_1.ParamDefinition.Interval([0, 1]),
list: param_definition_1.ParamDefinition.ColorList('purples', { presetKind: 'scale' }),
};
function getOccupancyColorThemeParams(ctx) {
return exports.OccupancyColorThemeParams; // TODO return copy
}
exports.getOccupancyColorThemeParams = getOccupancyColorThemeParams;
function getOccupancy(unit, element) {
if (structure_1.Unit.isAtomic(unit)) {
return unit.model.atomicConformation.occupancy.value(element);
}
else {
return 0;
}
}
exports.getOccupancy = getOccupancy;
function OccupancyColorTheme(ctx, props) {
var scale = color_1.ColorScale.create({
reverse: false,
domain: props.domain,
listOrName: props.list.colors,
});
function color(location) {
if (structure_1.StructureElement.Location.is(location)) {
return scale.color(getOccupancy(location.unit, location.element));
}
else if (structure_1.Bond.isLocation(location)) {
return scale.color(getOccupancy(location.aUnit, location.aUnit.elements[location.aIndex]));
}
return DefaultOccupancyColor;
}
return {
factory: OccupancyColorTheme,
granularity: 'group',
preferSmoothing: true,
color: color,
props: props,
description: Description,
legend: scale ? scale.legend : undefined
};
}
exports.OccupancyColorTheme = OccupancyColorTheme;
exports.OccupancyColorThemeProvider = {
name: 'occupancy',
label: 'Occupancy',
category: "Atom Property" /* Atom */,
factory: OccupancyColorTheme,
getParams: getOccupancyColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.OccupancyColorThemeParams),
isApplicable: function (ctx) { return !!ctx.structure && ctx.structure.models.some(function (m) { return m.atomicConformation.occupancy.isDefined; }); }
};
//# sourceMappingURL=occupancy.js.map