molstar
Version:
A comprehensive macromolecular library.
63 lines (62 loc) • 2.59 kB
JavaScript
;
/**
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.BuiltInTopologyFormats = exports.TopProvider = exports.PrmtopProvider = exports.PsfProvider = exports.TopologyFormatCategory = void 0;
const transforms_1 = require("../transforms");
const provider_1 = require("./provider");
exports.TopologyFormatCategory = 'Topology';
const PsfProvider = (0, provider_1.DataFormatProvider)({
label: 'PSF',
description: 'PSF',
category: exports.TopologyFormatCategory,
stringExtensions: ['psf'],
parse: async (plugin, data) => {
const format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParsePsf, {}, { state: { isGhost: true } });
const topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromPsf);
await format.commit();
return { format: format.selector, topology: topology.selector };
}
});
exports.PsfProvider = PsfProvider;
const PrmtopProvider = (0, provider_1.DataFormatProvider)({
label: 'PRMTOP',
description: 'PRMTOP',
category: exports.TopologyFormatCategory,
stringExtensions: ['prmtop', 'parm7'],
parse: async (plugin, data) => {
const format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParsePrmtop, {}, { state: { isGhost: true } });
const topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromPrmtop);
await format.commit();
return { format: format.selector, topology: topology.selector };
}
});
exports.PrmtopProvider = PrmtopProvider;
const TopProvider = (0, provider_1.DataFormatProvider)({
label: 'TOP',
description: 'TOP',
category: exports.TopologyFormatCategory,
stringExtensions: ['top'],
parse: async (plugin, data) => {
const format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParseTop, {}, { state: { isGhost: true } });
const topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromTop);
await format.commit();
return { format: format.selector, topology: topology.selector };
}
});
exports.TopProvider = TopProvider;
exports.BuiltInTopologyFormats = [
['psf', PsfProvider],
['prmtop', PrmtopProvider],
['top', TopProvider],
];