molstar
Version:
A comprehensive macromolecular library.
71 lines (70 loc) • 3.5 kB
JavaScript
;
/**
* Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.setStructureSubstance = setStructureSubstance;
exports.clearStructureSubstance = clearStructureSubstance;
const structure_1 = require("../../mol-model/structure");
const transforms_1 = require("../../mol-plugin-state/transforms");
const mol_state_1 = require("../../mol-state");
const substance_1 = require("../../mol-theme/substance");
const loci_1 = require("../../mol-model/loci");
const material_1 = require("../../mol-util/material");
const SubstanceManagerTag = 'substance-controls';
async function setStructureSubstance(plugin, components, material, lociGetter, types) {
await eachRepr(plugin, components, async (update, repr, substanceCell) => {
if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
return;
const structure = repr.obj.data.sourceData;
// always use the root structure to get the loci so the substance
// stays applicable as long as the root structure does not change
const loci = await lociGetter(structure.root);
if (loci_1.Loci.isEmpty(loci) || (0, loci_1.isEmptyLoci)(loci))
return;
const layer = {
bundle: structure_1.StructureElement.Bundle.fromLoci(loci),
material: material !== null && material !== void 0 ? material : (0, material_1.Material)(),
clear: !material
};
if (substanceCell) {
const bundleLayers = [...substanceCell.params.values.layers, layer];
const filtered = getFilteredBundle(bundleLayers, structure);
update.to(substanceCell).update(substance_1.Substance.toBundle(filtered));
}
else {
const filtered = getFilteredBundle([layer], structure);
update.to(repr.transform.ref)
.apply(transforms_1.StateTransforms.Representation.SubstanceStructureRepresentation3DFromBundle, substance_1.Substance.toBundle(filtered), { tags: SubstanceManagerTag });
}
});
}
async function clearStructureSubstance(plugin, components, types) {
await eachRepr(plugin, components, async (update, repr, substanceCell) => {
if (types && types.length > 0 && !types.includes(repr.params.values.type.name))
return;
if (substanceCell) {
update.delete(substanceCell.transform.ref);
}
});
}
async function eachRepr(plugin, components, callback) {
const state = plugin.state.data;
const update = state.build();
for (const c of components) {
for (const r of c.representations) {
const substance = state.select(mol_state_1.StateSelection.Generators.ofTransformer(transforms_1.StateTransforms.Representation.SubstanceStructureRepresentation3DFromBundle, r.cell.transform.ref).withTag(SubstanceManagerTag));
await callback(update, r.cell, substance[0]);
}
}
return update.commit({ doNotUpdateCurrent: true });
}
/** filter substance layers for given structure */
function getFilteredBundle(layers, structure) {
const substance = substance_1.Substance.ofBundle(layers, structure.root);
const merged = substance_1.Substance.merge(substance);
return substance_1.Substance.filter(merged, structure);
}