molstar/lib/mol-theme/substance.js

A comprehensive macromolecular library.

/**
 * Copyright (c) 2021 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(layers) {
    return { layers: layers };
}
(function (Substance) {
    Substance.Empty = { 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 (var 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(overpaint) {
        return overpaint.layers.length === 0;
    }
    Substance.isEmpty = isEmpty;
    function remap(substance, structure) {
        var layers = [];
        for (var _i = 0, _a = substance.layers; _i < _a.length; _i++) {
            var layer = _a[_i];
            var loci = layer.loci, material = layer.material, clear = layer.clear;
            loci = StructureElement.Loci.remap(loci, structure);
            if (!StructureElement.Loci.isEmpty(loci)) {
                layers.push({ loci: loci, material: material, clear: clear });
            }
        }
        return { layers: layers };
    }
    Substance.remap = remap;
    function merge(substance) {
        if (isEmpty(substance))
            return substance;
        var structure = substance.layers[0].loci.structure;
        var clearLoci = void 0;
        var map = new Map();
        var shadowed = StructureElement.Loci.none(structure);
        for (var i = 0, il = substance.layers.length; i < il; ++i) {
            var _a = substance.layers[il - i - 1], loci = _a.loci, material = _a.material, clear = _a.clear; // 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);
                }
            }
        }
        var layers = [];
        if (clearLoci) {
            layers.push({ loci: clearLoci, material: Material(), clear: true });
        }
        map.forEach(function (loci, material) {
            layers.push({ loci: loci, material: material, clear: false });
        });
        return { layers: layers };
    }
    Substance.merge = merge;
    function filter(substance, filter) {
        if (isEmpty(substance))
            return substance;
        var structure = substance.layers[0].loci.structure;
        var layers = [];
        for (var _i = 0, _a = substance.layers; _i < _a.length; _i++) {
            var layer = _a[_i];
            var loci = layer.loci, material = layer.material, clear = layer.clear;
            // filter by first map to the `filter` structure and
            // then map back to the original structure of the substance loci
            var filtered = StructureElement.Loci.remap(loci, filter);
            loci = StructureElement.Loci.remap(filtered, structure);
            if (!StructureElement.Loci.isEmpty(loci)) {
                layers.push({ loci: loci, material: material, clear: clear });
            }
        }
        return { layers: layers };
    }
    Substance.filter = filter;
    function ofScript(scriptLayers, structure) {
        var layers = [];
        for (var i = 0, il = scriptLayers.length; i < il; ++i) {
            var _a = scriptLayers[i], script = _a.script, material = _a.material, clear = _a.clear;
            var loci = Script.toLoci(script, structure);
            if (!StructureElement.Loci.isEmpty(loci)) {
                layers.push({ loci: loci, material: material, clear: clear });
            }
        }
        return { layers: layers };
    }
    Substance.ofScript = ofScript;
    function ofBundle(bundleLayers, structure) {
        var layers = [];
        for (var i = 0, il = bundleLayers.length; i < il; ++i) {
            var _a = bundleLayers[i], bundle = _a.bundle, material = _a.material, clear = _a.clear;
            var loci = StructureElement.Bundle.toLoci(bundle, structure.root);
            layers.push({ loci: loci, material: material, clear: clear });
        }
        return { layers: layers };
    }
    Substance.ofBundle = ofBundle;
    function toBundle(overpaint) {
        var layers = [];
        for (var i = 0, il = overpaint.layers.length; i < il; ++i) {
            var _a = overpaint.layers[i], loci = _a.loci, material = _a.material, clear = _a.clear;
            var bundle = StructureElement.Bundle.fromLoci(loci);
            layers.push({ bundle: bundle, material: material, clear: clear });
        }
        return { layers: layers };
    }
    Substance.toBundle = toBundle;
})(Substance || (Substance = {}));