molstar
Version:
A comprehensive macromolecular library.
88 lines (87 loc) • 3.85 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;
var tslib_1 = require("tslib");
var transforms_1 = require("../transforms");
var provider_1 = require("./provider");
exports.TopologyFormatCategory = 'Topology';
var PsfProvider = (0, provider_1.DataFormatProvider)({
label: 'PSF',
description: 'PSF',
category: exports.TopologyFormatCategory,
stringExtensions: ['psf'],
parse: function (plugin, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
var format, topology;
return tslib_1.__generator(this, function (_a) {
switch (_a.label) {
case 0:
format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParsePsf, {}, { state: { isGhost: true } });
topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromPsf);
return [4 /*yield*/, format.commit()];
case 1:
_a.sent();
return [2 /*return*/, { format: format.selector, topology: topology.selector }];
}
});
}); }
});
exports.PsfProvider = PsfProvider;
var PrmtopProvider = (0, provider_1.DataFormatProvider)({
label: 'PRMTOP',
description: 'PRMTOP',
category: exports.TopologyFormatCategory,
stringExtensions: ['prmtop', 'parm7'],
parse: function (plugin, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
var format, topology;
return tslib_1.__generator(this, function (_a) {
switch (_a.label) {
case 0:
format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParsePrmtop, {}, { state: { isGhost: true } });
topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromPrmtop);
return [4 /*yield*/, format.commit()];
case 1:
_a.sent();
return [2 /*return*/, { format: format.selector, topology: topology.selector }];
}
});
}); }
});
exports.PrmtopProvider = PrmtopProvider;
var TopProvider = (0, provider_1.DataFormatProvider)({
label: 'TOP',
description: 'TOP',
category: exports.TopologyFormatCategory,
stringExtensions: ['top'],
parse: function (plugin, data) { return tslib_1.__awaiter(void 0, void 0, void 0, function () {
var format, topology;
return tslib_1.__generator(this, function (_a) {
switch (_a.label) {
case 0:
format = plugin.state.data.build()
.to(data)
.apply(transforms_1.StateTransforms.Data.ParseTop, {}, { state: { isGhost: true } });
topology = format.apply(transforms_1.StateTransforms.Model.TopologyFromTop);
return [4 /*yield*/, format.commit()];
case 1:
_a.sent();
return [2 /*return*/, { format: format.selector, topology: topology.selector }];
}
});
}); }
});
exports.TopProvider = TopProvider;
exports.BuiltInTopologyFormats = [
['psf', PsfProvider],
['prmtop', PrmtopProvider],
['top', TopProvider],
];