molstar
Version:
A comprehensive macromolecular library.
67 lines (66 loc) • 3.19 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>
*/
import { StructureElement } from '../../mol-model/structure';
import { StateTransforms } from '../../mol-plugin-state/transforms';
import { StateSelection } from '../../mol-state';
import { Substance } from '../../mol-theme/substance';
import { isEmptyLoci, Loci } from '../../mol-model/loci';
import { Material } from '../../mol-util/material';
const SubstanceManagerTag = 'substance-controls';
export 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.isEmpty(loci) || isEmptyLoci(loci))
return;
const layer = {
bundle: StructureElement.Bundle.fromLoci(loci),
material: material !== null && material !== void 0 ? material : Material(),
clear: !material
};
if (substanceCell) {
const bundleLayers = [...substanceCell.params.values.layers, layer];
const filtered = getFilteredBundle(bundleLayers, structure);
update.to(substanceCell).update(Substance.toBundle(filtered));
}
else {
const filtered = getFilteredBundle([layer], structure);
update.to(repr.transform.ref)
.apply(StateTransforms.Representation.SubstanceStructureRepresentation3DFromBundle, Substance.toBundle(filtered), { tags: SubstanceManagerTag });
}
});
}
export 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(StateSelection.Generators.ofTransformer(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.ofBundle(layers, structure.root);
const merged = Substance.merge(substance);
return Substance.filter(merged, structure);
}