molstar
Version:
A comprehensive macromolecular library.
93 lines • 3.94 kB
JavaScript
/**
* Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { StructureProperties, StructureElement, Bond } from '../../mol-model/structure';
import { Color } from '../../mol-util/color';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
var Description = 'Gives every chain a color from a list based on its `asym_id` value.';
export function createProteopediaCustomTheme(colors) {
var ProteopediaCustomColorThemeParams = {
colors: PD.ObjectList({ color: PD.Color(Color(0xffffff)) }, function (_a) {
var color = _a.color;
return Color.toHexString(color);
}, { defaultValue: colors.map(function (c) { return ({ color: Color(c) }); }) })
};
function getChainIdColorThemeParams(ctx) {
return ProteopediaCustomColorThemeParams; // TODO return copy
}
function getAsymId(unit) {
switch (unit.kind) {
case 0 /* Atomic */:
return StructureProperties.chain.label_asym_id;
case 1 /* Spheres */:
case 2 /* Gaussians */:
return StructureProperties.coarse.asym_id;
}
}
function addAsymIds(map, data) {
var j = map.size;
for (var o = 0, ol = data.rowCount; o < ol; ++o) {
var k = data.value(o);
if (!map.has(k)) {
map.set(k, j);
j += 1;
}
}
}
function ProteopediaCustomColorTheme(ctx, props) {
var color;
var colors = props.colors, colorCount = colors.length, defaultColor = colors[0].color;
if (ctx.structure) {
var l_1 = StructureElement.Location.create(ctx.structure);
var models = ctx.structure.models;
var asymIdSerialMap_1 = new Map();
for (var i = 0, il = models.length; i < il; ++i) {
var m = models[i];
addAsymIds(asymIdSerialMap_1, m.atomicHierarchy.chains.label_asym_id);
if (m.coarseHierarchy.isDefined) {
addAsymIds(asymIdSerialMap_1, m.coarseHierarchy.spheres.asym_id);
addAsymIds(asymIdSerialMap_1, m.coarseHierarchy.gaussians.asym_id);
}
}
color = function (location) {
if (StructureElement.Location.is(location)) {
var asym_id = getAsymId(location.unit);
var o = asymIdSerialMap_1.get(asym_id(location)) || 0;
return colors[o % colorCount].color;
}
else if (Bond.isLocation(location)) {
var asym_id = getAsymId(location.aUnit);
l_1.unit = location.aUnit;
l_1.element = location.aUnit.elements[location.aIndex];
var o = asymIdSerialMap_1.get(asym_id(l_1)) || 0;
return colors[o % colorCount].color;
}
return defaultColor;
};
}
else {
color = function () { return defaultColor; };
}
return {
factory: ProteopediaCustomColorTheme,
granularity: 'group',
color: color,
props: props,
description: Description,
legend: undefined
};
}
return {
name: 'proteopedia-custom',
label: 'Proteopedia Custom',
category: 'Custom',
factory: ProteopediaCustomColorTheme,
getParams: getChainIdColorThemeParams,
defaultValues: PD.getDefaultValues(ProteopediaCustomColorThemeParams),
isApplicable: function (ctx) { return !!ctx.structure; }
};
}
//# sourceMappingURL=coloring.js.map