molstar
Version:
A comprehensive macromolecular library.
150 lines (149 loc) • 5.93 kB
JavaScript
/**
* Copyright (c) 2021-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { Loci } from '../mol-model/loci';
import { StructureElement } from '../mol-model/structure';
import { Script } from '../mol-script/script';
import { Material } from '../mol-util/material';
import { shallowEqual } from '../mol-util/object';
export { Substance };
function Substance(kind, layers) {
return { kind, layers };
}
(function (Substance) {
Substance.Empty = { kind: 'empty-loci', layers: [] };
function areEqual(sA, sB) {
if (sA.layers.length === 0 && sB.layers.length === 0)
return true;
if (sA.layers.length !== sB.layers.length)
return false;
for (let i = 0, il = sA.layers.length; i < il; ++i) {
if (sA.layers[i].clear !== sB.layers[i].clear)
return false;
if (!shallowEqual(sA.layers[i].material, sB.layers[i].material))
return false;
if (!Loci.areEqual(sA.layers[i].loci, sB.layers[i].loci))
return false;
}
return true;
}
Substance.areEqual = areEqual;
function isEmpty(substance) {
return substance.layers.length === 0;
}
Substance.isEmpty = isEmpty;
function remap(substance, structure) {
if (substance.kind === 'element-loci') {
const layers = [];
for (const layer of substance.layers) {
let { loci, material, clear } = layer;
loci = StructureElement.Loci.remap(loci, structure);
if (!StructureElement.Loci.isEmpty(loci)) {
layers.push({ loci, material, clear });
}
}
return { kind: 'element-loci', layers };
}
else {
return substance;
}
}
Substance.remap = remap;
function merge(substance) {
if (isEmpty(substance))
return substance;
if (substance.kind === 'element-loci') {
const { structure } = substance.layers[0].loci;
let clearLoci = void 0;
const map = new Map();
let shadowed = StructureElement.Loci.none(structure);
for (let i = 0, il = substance.layers.length; i < il; ++i) {
let { loci, material, clear } = substance.layers[il - i - 1]; // process from end
loci = StructureElement.Loci.subtract(loci, shadowed);
shadowed = StructureElement.Loci.union(loci, shadowed);
if (!StructureElement.Loci.isEmpty(loci)) {
if (clear) {
clearLoci = clearLoci
? StructureElement.Loci.union(loci, clearLoci)
: loci;
}
else {
if (map.has(material)) {
loci = StructureElement.Loci.union(loci, map.get(material));
}
map.set(material, loci);
}
}
}
const layers = [];
if (clearLoci) {
layers.push({ loci: clearLoci, material: Material(), clear: true });
}
map.forEach((loci, material) => {
layers.push({ loci, material, clear: false });
});
return { kind: 'element-loci', layers };
}
else {
return substance;
}
}
Substance.merge = merge;
function filter(substance, filter) {
if (isEmpty(substance))
return substance;
if (substance.kind === 'element-loci') {
const { structure } = substance.layers[0].loci;
const layers = [];
for (const layer of substance.layers) {
let { loci, material, clear } = layer;
// filter by first map to the `filter` structure and
// then map back to the original structure of the substance loci
const filtered = StructureElement.Loci.remap(loci, filter);
loci = StructureElement.Loci.remap(filtered, structure);
if (!StructureElement.Loci.isEmpty(loci)) {
layers.push({ loci, material, clear });
}
}
return { kind: 'element-loci', layers };
}
else {
return substance;
}
}
Substance.filter = filter;
function ofScript(scriptLayers, structure) {
const layers = [];
for (let i = 0, il = scriptLayers.length; i < il; ++i) {
const { script, material, clear } = scriptLayers[i];
const loci = Script.toLoci(script, structure);
if (!StructureElement.Loci.isEmpty(loci)) {
layers.push({ loci, material, clear });
}
}
return { kind: 'element-loci', layers };
}
Substance.ofScript = ofScript;
function ofBundle(bundleLayers, structure) {
const layers = [];
for (let i = 0, il = bundleLayers.length; i < il; ++i) {
const { bundle, material, clear } = bundleLayers[i];
const loci = StructureElement.Bundle.toLoci(bundle, structure.root);
layers.push({ loci, material, clear });
}
return { kind: 'element-loci', layers };
}
Substance.ofBundle = ofBundle;
function toBundle(overpaint) {
const layers = [];
for (let i = 0, il = overpaint.layers.length; i < il; ++i) {
const { loci, material, clear } = overpaint.layers[i];
const bundle = StructureElement.Bundle.fromLoci(loci);
layers.push({ bundle, material, clear });
}
return { kind: 'element-loci', layers };
}
Substance.toBundle = toBundle;
})(Substance || (Substance = {}));