molstar
Version:
A comprehensive macromolecular library.
63 lines (62 loc) • 3.55 kB
JavaScript
/**
* Copyright (c) 2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Adam Midlik <midlik@gmail.com>
*/
import { SortedArray } from '../../../mol-data/int.js';
import { Structure, StructureElement } from '../../../mol-model/structure.js';
import { StaticStructureComponentTypes, createStructureComponent } from '../../../mol-plugin-state/helpers/structure-component.js';
import { PluginStateObject } from '../../../mol-plugin-state/objects.js';
import { MolScriptBuilder } from '../../../mol-script/language/builder.js';
import { mapArrayToObject, pickObjectKeys } from '../../../mol-util/object.js';
import { Choice } from '../../../mol-util/param-choice.js';
import { ParamDefinition as PD } from '../../../mol-util/param-definition.js';
import { capitalize } from '../../../mol-util/string.js';
import { MVSAnnotationStructureComponentParams, createMVSAnnotationStructureComponent } from './annotation-structure-component.js';
/** Allowed values for a static selector */
export const StaticSelectorChoice = new Choice(mapArrayToObject(StaticStructureComponentTypes, t => capitalize(t)), 'all');
/** Parameter definition for specifying a part of structure (kinda extension of `StructureComponentParams` from mol-plugin-state/helpers/structure-component) */
export const SelectorParams = PD.MappedStatic('static', {
static: StaticSelectorChoice.PDSelect(),
expression: PD.Value(MolScriptBuilder.struct.generator.all),
bundle: PD.Value(StructureElement.Bundle.Empty),
script: PD.Script({ language: 'mol-script', expression: '(sel.atom.all)' }),
annotation: PD.Group(pickObjectKeys(MVSAnnotationStructureComponentParams, ['annotationId', 'fieldName', 'fieldValues'])),
}, { description: 'Define a part of the structure where this layer applies (use Static:all to apply to the whole structure)' });
/** `Selector` for selecting the whole structure */
export const SelectorAll = { name: 'static', params: 'all' };
/** Decide whether a selector is `SelectorAll` */
export function isSelectorAll(props) {
return props.name === 'static' && props.params === 'all';
}
export const ElementSet = {
/** Create an `ElementSet` from a structure */
fromStructure(structure) {
if (!structure)
return {};
const out = {};
for (const unit of structure.units) {
out[unit.id] = unit.elements;
}
return out;
},
/** Create an `ElementSet` from the substructure of `structure` defined by `selector` */
fromSelector(structure, selector) {
if (!structure)
return {};
const selection = substructureFromSelector(structure, selector); // using `getAtomRangesForRow` might (might not) be faster here
return this.fromStructure(selection);
},
/** Decide if the element set `set` contains structure element location `location` */
has(set, location) {
const array = set[location.unit.id];
return array ? SortedArray.has(array, location.element) : false;
},
};
/** Return a substructure of `structure` defined by `selector` */
export function substructureFromSelector(structure, selector) {
const pso = (selector.name === 'annotation') ?
createMVSAnnotationStructureComponent(structure, { ...selector.params, label: '', nullIfEmpty: false }, {})
: createStructureComponent(structure, { type: selector, label: '', nullIfEmpty: false }, { source: structure });
return PluginStateObject.Molecule.Structure.is(pso) ? pso.data : Structure.Empty;
}