molstar
Version:
A comprehensive macromolecular library.
50 lines (49 loc) • 1.9 kB
JavaScript
/**
* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { getCifFieldType } from '../../../mol-io/reader/cif';
import { CifWriter } from '../../../mol-io/writer/cif';
import { Task } from '../../../mol-task';
// import { showProgress } from './util';
function getCategoryInstanceProvider(cat, fields) {
return {
name: cat.name,
instance: () => CifWriter.categoryInstance(fields, { data: cat, rowCount: cat.rowCount })
};
}
function classify(name, field) {
const type = getCifFieldType(field);
if (type['@type'] === 'str') {
return { name, type: CifWriter.Field.Type.Str, value: field.str, valueKind: field.valueKind };
}
else if (type['@type'] === 'float') {
return CifWriter.Field.float(name, field.float, { valueKind: field.valueKind, typedArray: Float64Array });
}
else {
return CifWriter.Field.int(name, field.int, { valueKind: field.valueKind, typedArray: Int32Array });
}
}
export function classifyCif(frame) {
return Task.create('Classify CIF Data', async (ctx) => {
let maxProgress = 0;
for (const c of frame.categoryNames)
maxProgress += frame.categories[c].fieldNames.length;
const ret = [];
let current = 0;
for (const c of frame.categoryNames) {
const cat = frame.categories[c];
const fields = [];
for (const f of cat.fieldNames) {
const cifField = classify(f, cat.getField(f));
fields.push(cifField);
current++;
if (ctx.shouldUpdate)
await ctx.update({ message: 'Classifying...', current, max: maxProgress });
}
ret.push(getCategoryInstanceProvider(cat, fields));
}
return ret;
}).run();
}