molstar
Version:
A comprehensive macromolecular library.
91 lines (90 loc) • 5.27 kB
JavaScript
/**
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { __assign, __awaiter, __generator } from "tslib";
import { Unit } from '../../../mol-model/structure';
import { Representation } from '../../../mol-repr/representation';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { StructureRepresentationProvider, StructureRepresentationStateBuilder } from '../representation';
import { UnitsRepresentation } from '../units-representation';
import { NucleotideBlockParams, NucleotideBlockVisual } from '../visual/nucleotide-block-mesh';
import { NucleotideRingParams, NucleotideRingVisual } from '../visual/nucleotide-ring-mesh';
import { PolymerDirectionParams, PolymerDirectionVisual } from '../visual/polymer-direction-wedge';
import { PolymerGapParams, PolymerGapVisual } from '../visual/polymer-gap-cylinder';
import { PolymerTraceParams, PolymerTraceVisual } from '../visual/polymer-trace-mesh';
import { SecondaryStructureProvider } from '../../../mol-model-props/computed/secondary-structure';
import { HelixOrientationProvider } from '../../../mol-model-props/computed/helix-orientation';
import { BaseGeometry } from '../../../mol-geo/geometry/base';
var CartoonVisuals = {
'polymer-trace': function (ctx, getParams) { return UnitsRepresentation('Polymer trace mesh', ctx, getParams, PolymerTraceVisual); },
'polymer-gap': function (ctx, getParams) { return UnitsRepresentation('Polymer gap cylinder', ctx, getParams, PolymerGapVisual); },
'nucleotide-block': function (ctx, getParams) { return UnitsRepresentation('Nucleotide block mesh', ctx, getParams, NucleotideBlockVisual); },
'nucleotide-ring': function (ctx, getParams) { return UnitsRepresentation('Nucleotide ring mesh', ctx, getParams, NucleotideRingVisual); },
'direction-wedge': function (ctx, getParams) { return UnitsRepresentation('Polymer direction wedge', ctx, getParams, PolymerDirectionVisual); }
};
export var CartoonParams = __assign(__assign(__assign(__assign(__assign(__assign({}, PolymerTraceParams), PolymerGapParams), NucleotideBlockParams), NucleotideRingParams), PolymerDirectionParams), { sizeFactor: PD.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: PD.MultiSelect(['polymer-trace', 'polymer-gap', 'nucleotide-ring'], PD.objectToOptions(CartoonVisuals)), bumpFrequency: PD.Numeric(2, { min: 0, max: 10, step: 0.1 }, BaseGeometry.ShadingCategory) });
export function getCartoonParams(ctx, structure) {
var params = PD.clone(CartoonParams);
var hasNucleotides = false;
var hasGaps = false;
structure.units.forEach(function (u) {
if (!hasNucleotides && Unit.isAtomic(u) && u.nucleotideElements.length)
hasNucleotides = true;
if (!hasGaps && u.gapElements.length)
hasGaps = true;
});
params.visuals.defaultValue = ['polymer-trace'];
if (hasNucleotides)
params.visuals.defaultValue.push('nucleotide-ring');
if (hasGaps)
params.visuals.defaultValue.push('polymer-gap');
return params;
}
export function CartoonRepresentation(ctx, getParams) {
return Representation.createMulti('Cartoon', ctx, getParams, StructureRepresentationStateBuilder, CartoonVisuals);
}
export var CartoonRepresentationProvider = StructureRepresentationProvider({
name: 'cartoon',
label: 'Cartoon',
description: 'Displays ribbons, planks, tubes smoothly following the trace atoms of polymers.',
factory: CartoonRepresentation,
getParams: getCartoonParams,
defaultValues: PD.getDefaultValues(CartoonParams),
defaultColorTheme: { name: 'chain-id' },
defaultSizeTheme: { name: 'uniform' },
isApplicable: function (structure) { return structure.polymerResidueCount > 0; },
ensureCustomProperties: {
attach: function (ctx, structure) { return __awaiter(void 0, void 0, void 0, function () {
var _i, _a, m;
return __generator(this, function (_b) {
switch (_b.label) {
case 0: return [4 /*yield*/, SecondaryStructureProvider.attach(ctx, structure, void 0, true)];
case 1:
_b.sent();
_i = 0, _a = structure.models;
_b.label = 2;
case 2:
if (!(_i < _a.length)) return [3 /*break*/, 5];
m = _a[_i];
return [4 /*yield*/, HelixOrientationProvider.attach(ctx, m, void 0, true)];
case 3:
_b.sent();
_b.label = 4;
case 4:
_i++;
return [3 /*break*/, 2];
case 5: return [2 /*return*/];
}
});
}); },
detach: function (data) {
SecondaryStructureProvider.ref(data, false);
for (var _i = 0, _a = data.models; _i < _a.length; _i++) {
var m = _a[_i];
HelixOrientationProvider.ref(m, false);
}
}
}
});