molstar
Version:
A comprehensive macromolecular library.
116 lines (115 loc) • 4.8 kB
JavaScript
;
/**
* Copyright (c) 2018-2020 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.ChainIdColorThemeProvider = exports.ChainIdColorThemeParams = void 0;
exports.getChainIdColorThemeParams = getChainIdColorThemeParams;
exports.ChainIdColorTheme = ChainIdColorTheme;
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 chain a color based on its `asym_id` value.';
exports.ChainIdColorThemeParams = {
asymId: param_definition_1.ParamDefinition.Select('auth', param_definition_1.ParamDefinition.arrayToOptions(['auth', 'label'])),
...(0, palette_1.getPaletteParams)({ type: 'colors', colorList: DefaultList }),
};
function getChainIdColorThemeParams(ctx) {
var _a;
const params = param_definition_1.ParamDefinition.clone(exports.ChainIdColorThemeParams);
if ((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(m => m.coarseHierarchy.isDefined)) {
params.asymId.defaultValue = 'label';
}
return params;
}
function getAsymId(unit, type) {
switch (unit.kind) {
case 0 /* Unit.Kind.Atomic */:
return type === 'auth'
? structure_1.StructureProperties.chain.auth_asym_id
: structure_1.StructureProperties.chain.label_asym_id;
case 1 /* Unit.Kind.Spheres */:
case 2 /* Unit.Kind.Gaussians */:
return structure_1.StructureProperties.coarse.asym_id;
}
}
function getAsymIdKey(location, type) {
const asymId = getAsymId(location.unit, type)(location);
return location.structure.root.models.length > 1
? getKey(location.unit.model, asymId)
: asymId;
}
function getKey(model, asymId) {
return `${asymId}|${(structure_1.Model.Index.get(model).value || 0) + 1}`;
}
function getAsymIdSerialMap(structure, type) {
const map = new Map();
for (const m of structure.models) {
const asymIdOffset = structure_1.Model.AsymIdOffset.get(m).value;
const offset = (type === 'auth' ? asymIdOffset === null || asymIdOffset === void 0 ? void 0 : asymIdOffset.auth : asymIdOffset === null || asymIdOffset === void 0 ? void 0 : asymIdOffset.label) || 0;
let count = 0;
m.properties.structAsymMap.forEach(({ auth_id }, label_id) => {
const asymId = type === 'auth' ? auth_id : label_id;
const k = structure.models.length > 1
? getKey(m, asymId)
: asymId;
if (!map.has(k)) {
map.set(k, count + offset);
++count;
}
});
}
return map;
}
function ChainIdColorTheme(ctx, props) {
let color;
let legend;
if (ctx.structure) {
const l = structure_1.StructureElement.Location.create(ctx.structure.root);
const asymIdSerialMap = getAsymIdSerialMap(ctx.structure.root, props.asymId);
const labelTable = Array.from(asymIdSerialMap.keys());
const valueLabel = (i) => labelTable[i];
const palette = (0, palette_1.getPalette)(asymIdSerialMap.size, props, { valueLabel });
legend = palette.legend;
color = (location) => {
let serial = undefined;
if (structure_1.StructureElement.Location.is(location)) {
const k = getAsymIdKey(location, props.asymId);
serial = asymIdSerialMap.get(k);
}
else if (structure_1.Bond.isLocation(location)) {
l.unit = location.aUnit;
l.element = location.aUnit.elements[location.aIndex];
const k = getAsymIdKey(l, props.asymId);
serial = asymIdSerialMap.get(k);
}
return serial === undefined ? DefaultColor : palette.color(serial);
};
}
else {
color = () => DefaultColor;
}
return {
factory: ChainIdColorTheme,
granularity: 'group',
color,
props,
description: Description,
legend
};
}
exports.ChainIdColorThemeProvider = {
name: 'chain-id',
label: 'Chain Id',
category: categories_1.ColorThemeCategory.Chain,
factory: ChainIdColorTheme,
getParams: getChainIdColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.ChainIdColorThemeParams),
isApplicable: (ctx) => !!ctx.structure
};