molstar
Version:
A comprehensive macromolecular library.
82 lines • 4.35 kB
JavaScript
;
/**
* Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Sebastian Bittrich <sebastian.bittrich@rcsb.org>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.MembraneOrientationProvider = exports.MembraneOrientation = exports.MembraneOrientationParams = void 0;
var tslib_1 = require("tslib");
var param_definition_1 = require("../../mol-util/param-definition");
var structure_1 = require("../../mol-model/structure");
var custom_property_1 = require("../../mol-model/custom-property");
var algorithm_1 = require("./algorithm");
var custom_structure_property_1 = require("../../mol-model-props/common/custom-structure-property");
var linear_algebra_1 = require("../../mol-math/linear-algebra");
var base_1 = require("../../mol-script/runtime/query/base");
var symbol_1 = require("../../mol-script/language/symbol");
var type_1 = require("../../mol-script/language/type");
exports.MembraneOrientationParams = (0, tslib_1.__assign)({}, algorithm_1.ANVILParams);
var MembraneOrientation;
(function (MembraneOrientation) {
var Tag;
(function (Tag) {
Tag["Representation"] = "membrane-orientation-3d";
})(Tag = MembraneOrientation.Tag || (MembraneOrientation.Tag = {}));
var pos = (0, linear_algebra_1.Vec3)();
MembraneOrientation.symbols = {
isTransmembrane: base_1.QuerySymbolRuntime.Dynamic((0, symbol_1.CustomPropSymbol)('computed', 'membrane-orientation.is-transmembrane', type_1.Type.Bool), function (ctx) {
var _a = ctx.element, unit = _a.unit, structure = _a.structure;
var _b = structure_1.StructureProperties.atom, x = _b.x, y = _b.y, z = _b.z;
if (!structure_1.Unit.isAtomic(unit))
return 0;
var membraneOrientation = exports.MembraneOrientationProvider.get(structure).value;
if (!membraneOrientation)
return 0;
linear_algebra_1.Vec3.set(pos, x(ctx.element), y(ctx.element), z(ctx.element));
var _c = membraneOrientation, normalVector = _c.normalVector, planePoint1 = _c.planePoint1, planePoint2 = _c.planePoint2;
return (0, algorithm_1.isInMembranePlane)(pos, normalVector, planePoint1, planePoint2);
})
};
})(MembraneOrientation || (MembraneOrientation = {}));
exports.MembraneOrientation = MembraneOrientation;
exports.MembraneOrientationProvider = custom_structure_property_1.CustomStructureProperty.createProvider({
label: 'Membrane Orientation',
descriptor: (0, custom_property_1.CustomPropertyDescriptor)({
name: 'anvil_computed_membrane_orientation',
symbols: MembraneOrientation.symbols,
// TODO `cifExport`
}),
type: 'root',
defaultParams: exports.MembraneOrientationParams,
getParams: function (data) { return exports.MembraneOrientationParams; },
isApplicable: function (data) { return true; },
obtain: function (ctx, data, props) { return (0, tslib_1.__awaiter)(void 0, void 0, void 0, function () {
var p;
var _a;
return (0, tslib_1.__generator)(this, function (_b) {
switch (_b.label) {
case 0:
p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(exports.MembraneOrientationParams)), props);
_a = {};
return [4 /*yield*/, computeAnvil(ctx, data, p)];
case 1: return [2 /*return*/, (_a.value = _b.sent(), _a)];
}
});
}); }
});
function computeAnvil(ctx, data, props) {
return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
var p;
return (0, tslib_1.__generator)(this, function (_a) {
switch (_a.label) {
case 0:
p = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, param_definition_1.ParamDefinition.getDefaultValues(algorithm_1.ANVILParams)), props);
return [4 /*yield*/, (0, algorithm_1.computeANVIL)(data, p).runInContext(ctx.runtime)];
case 1: return [2 /*return*/, _a.sent()];
}
});
});
}
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