molstar
Version:
A comprehensive macromolecular library.
60 lines • 2.27 kB
JavaScript
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Color, ColorScale } from '../../mol-util/color';
import { StructureElement, Unit, Bond } from '../../mol-model/structure';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
var DefaultOccupancyColor = Color(0xCCCCCC);
var Description = "Assigns a color based on the occupancy of an atom.";
export var OccupancyColorThemeParams = {
domain: PD.Interval([0, 1]),
list: PD.ColorList('purples', { presetKind: 'scale' }),
};
export function getOccupancyColorThemeParams(ctx) {
return OccupancyColorThemeParams; // TODO return copy
}
export function getOccupancy(unit, element) {
if (Unit.isAtomic(unit)) {
return unit.model.atomicConformation.occupancy.value(element);
}
else {
return 0;
}
}
export function OccupancyColorTheme(ctx, props) {
var scale = ColorScale.create({
reverse: false,
domain: props.domain,
listOrName: props.list.colors,
});
function color(location) {
if (StructureElement.Location.is(location)) {
return scale.color(getOccupancy(location.unit, location.element));
}
else if (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
};
}
export var OccupancyColorThemeProvider = {
name: 'occupancy',
label: 'Occupancy',
category: "Atom Property" /* Atom */,
factory: OccupancyColorTheme,
getParams: getOccupancyColorThemeParams,
defaultValues: PD.getDefaultValues(OccupancyColorThemeParams),
isApplicable: function (ctx) { return !!ctx.structure && ctx.structure.models.some(function (m) { return m.atomicConformation.occupancy.isDefined; }); }
};
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