molstar 2.4.1 → 3.0.0-dev.0

package/lib/mol-theme/substance.js

@@ -0,0 +1,128 @@
+/**
+ * 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';
+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 (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 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)) {
+                var materialOrClear = clear ? -1 : material;
+                if (map.has(materialOrClear)) {
+                    loci = StructureElement.Loci.union(loci, map.get(materialOrClear));
+                }
+                map.set(materialOrClear, loci);
+            }
+        }
+        var layers = [];
+        map.forEach(function (loci, materialOrClear) {
+            var clear = materialOrClear === -1;
+            var material = clear ? Material(0) : materialOrClear;
+            layers.push({ loci: loci, material: material, clear: clear });
+        });
+        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 = {}));
+//# sourceMappingURL=substance.js.map

package/lib/mol-theme/substance.js.map

@@ -0,0 +1 @@
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package/lib/mol-util/material.d.ts

@@ -0,0 +1,32 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+import { NumberArray } from './type-helpers';
+import { ParamDefinition as PD } from './param-definition';
+/** Material properties expressed as a single number */
+export declare type Material = {
+    readonly '@type': 'material';
+} & number;
+export declare function Material(hex: number): Material;
+export declare namespace Material {
+    function fromNormalized(metalness: number, roughness: number): Material;
+    function fromObjectNormalized(v: {
+        metalness: number;
+        roughness: number;
+    }): Material;
+    function toObjectNormalized(material: Material, fractionDigits?: number): {
+        metalness: number;
+        roughness: number;
+    };
+    function toArray(material: Material, array: NumberArray, offset: number): NumberArray;
+    function toString(material: Material): string;
+    function getParam(info?: {
+        isExpanded?: boolean;
+        isFlat?: boolean;
+    }): PD.Converted<Material, PD.Normalize<{
+        metalness: number;
+        roughness: number;
+    }>>;
+}

package/lib/mol-util/material.js

@@ -0,0 +1,47 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+import { ParamDefinition as PD } from './param-definition';
+import { toFixed } from './number';
+export function Material(hex) { return hex; }
+(function (Material) {
+    function fromNormalized(metalness, roughness) {
+        return (((metalness * 255) << 16) | ((roughness * 255) << 8));
+    }
+    Material.fromNormalized = fromNormalized;
+    function fromObjectNormalized(v) {
+        return fromNormalized(v.metalness, v.roughness);
+    }
+    Material.fromObjectNormalized = fromObjectNormalized;
+    function toObjectNormalized(material, fractionDigits) {
+        var metalness = (material >> 16 & 255) / 255;
+        var roughness = (material >> 8 & 255) / 255;
+        return {
+            metalness: fractionDigits ? toFixed(metalness, fractionDigits) : metalness,
+            roughness: fractionDigits ? toFixed(roughness, fractionDigits) : roughness
+        };
+    }
+    Material.toObjectNormalized = toObjectNormalized;
+    function toArray(material, array, offset) {
+        array[offset] = (material >> 16 & 255);
+        array[offset + 1] = (material >> 8 & 255);
+        return array;
+    }
+    Material.toArray = toArray;
+    function toString(material) {
+        var metalness = (material >> 16 & 255) / 255;
+        var roughness = (material >> 8 & 255) / 255;
+        return "M ".concat(metalness, " | R ").concat(roughness);
+    }
+    Material.toString = toString;
+    function getParam(info) {
+        return PD.Converted(function (v) { return toObjectNormalized(v, 2); }, function (v) { return fromObjectNormalized(v); }, PD.Group({
+            metalness: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }),
+            roughness: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }),
+        }, info));
+    }
+    Material.getParam = getParam;
+})(Material || (Material = {}));
+//# sourceMappingURL=material.js.map

package/lib/mol-util/material.js.map

@@ -0,0 +1 @@
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package/lib/mol-util/number.d.ts

@@ -23,3 +23,4 @@ export declare function getArrayDigitCount(xs: ArrayLike<number>, maxDigits: num
 export declare function isInteger(s: string): boolean;
 export declare function getPrecision(v: number): number;
 export declare function toPrecision(v: number, precision: number): number;
+export declare function toFixed(v: number, fractionDigits: number): number;

package/lib/mol-util/number.js

@@ -69,4 +69,7 @@ export function getPrecision(v) {
 export function toPrecision(v, precision) {
     return parseFloat(v.toPrecision(precision));
 }
+export function toFixed(v, fractionDigits) {
+    return parseFloat(v.toFixed(fractionDigits));
+}
 //# sourceMappingURL=number.js.map

package/lib/mol-util/number.js.map

@@ -1 +1 @@
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