molstar
Version:
A comprehensive macromolecular library.
102 lines (101 loc) • 4.16 kB
JavaScript
;
/**
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.SIFTSMappingColorThemeProvider = exports.SIFTSMappingColorThemeParams = void 0;
exports.getSIFTSMappingColorThemeParams = getSIFTSMappingColorThemeParams;
exports.SIFTSMappingColorTheme = SIFTSMappingColorTheme;
const structure_1 = require("../../../mol-model/structure");
const categories_1 = require("../../../mol-theme/color/categories");
const color_1 = require("../../../mol-util/color");
const palette_1 = require("../../../mol-util/color/palette");
const param_definition_1 = require("../../../mol-util/param-definition");
const sifts_mapping_1 = require("../sifts-mapping");
const DefaultColor = (0, color_1.Color)(0xFAFAFA);
const Description = 'Assigns a color based on SIFTS mapping.';
// same colors for same accessions
const globalAccessionMap = new Map();
exports.SIFTSMappingColorThemeParams = {
...(0, palette_1.getPaletteParams)({ type: 'colors', colorList: 'set-1' }),
};
function getSIFTSMappingColorThemeParams(ctx) {
return exports.SIFTSMappingColorThemeParams; // TODO return copy
}
function SIFTSMappingColorTheme(ctx, props) {
let color;
if (ctx.structure) {
for (const m of ctx.structure.models) {
const mapping = sifts_mapping_1.SIFTSMapping.Provider.get(m).value;
if (!mapping)
continue;
for (const acc of mapping.accession) {
if (!acc || globalAccessionMap.has(acc))
continue;
globalAccessionMap.set(acc, globalAccessionMap.size);
}
}
const l = structure_1.StructureElement.Location.create(ctx.structure);
const palette = (0, palette_1.getPalette)(globalAccessionMap.size + 1, props, { valueLabel: i => `${i}` });
const colorMap = new Map();
const getColor = (location) => {
const key = sifts_mapping_1.SIFTSMapping.getKey(location);
if (!key)
return DefaultColor;
if (colorMap.has(key))
return colorMap.get(key);
const color = palette.color(globalAccessionMap.get(key));
colorMap.set(key, color);
return color;
};
color = (location) => {
if (structure_1.StructureElement.Location.is(location) && structure_1.Unit.isAtomic(location.unit)) {
return getColor(location);
}
else if (structure_1.Bond.isLocation(location)) {
l.unit = location.aUnit;
l.element = location.aUnit.elements[location.aIndex];
return getColor(l);
}
return DefaultColor;
};
}
else {
color = () => DefaultColor;
}
return {
factory: SIFTSMappingColorTheme,
granularity: 'group',
preferSmoothing: true,
color,
props,
description: Description,
};
}
exports.SIFTSMappingColorThemeProvider = {
name: 'sifts-mapping',
label: 'SIFTS Mapping',
category: categories_1.ColorThemeCategory.Residue,
factory: SIFTSMappingColorTheme,
getParams: getSIFTSMappingColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.SIFTSMappingColorThemeParams),
isApplicable: (ctx) => { var _a; return !!((_a = ctx.structure) === null || _a === void 0 ? void 0 : _a.models.some(m => sifts_mapping_1.SIFTSMapping.Provider.isApplicable(m))); },
ensureCustomProperties: {
attach: async (ctx, data) => {
if (!data.structure)
return;
for (const m of data.structure.models) {
await sifts_mapping_1.SIFTSMapping.Provider.attach(ctx, m, void 0, true);
}
},
detach: (data) => {
if (!data.structure)
return;
for (const m of data.structure.models) {
sifts_mapping_1.SIFTSMapping.Provider.ref(m, false);
}
}
}
};