molstar 2.3.3 → 2.3.8

package/lib/commonjs/mol-repr/structure/units-visual.d.ts

@@ -44,7 +44,7 @@ interface UnitsVisualGeometryBuilder<P extends StructureParams, G extends Geomet
 }
 export declare function UnitsVisual<G extends Geometry, P extends StructureParams & Geometry.Params<G>>(builder: UnitsVisualGeometryBuilder<P, G>, materialId: number): UnitsVisual<P>;
 export declare const UnitsMeshParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;
@@ -52,28 +52,28 @@ export declare const UnitsMeshParams: {
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsMeshParams = typeof UnitsMeshParams;
 export interface UnitsMeshVisualBuilder<P extends UnitsMeshParams> extends UnitsVisualBuilder<P, Mesh> {
 }
 export declare function UnitsMeshVisual<P extends UnitsMeshParams>(builder: UnitsMeshVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsSpheresParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     sizeFactor: PD.Numeric;
     doubleSided: PD.BooleanParam;
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsSpheresParams = typeof UnitsSpheresParams;
 export interface UnitsSpheresVisualBuilder<P extends UnitsSpheresParams> extends UnitsVisualBuilder<P, Spheres> {
 }
 export declare function UnitsSpheresVisual<P extends UnitsSpheresParams>(builder: UnitsSpheresVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsCylindersParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     sizeFactor: PD.Numeric;
     sizeAspectRatio: PD.Numeric;
@@ -81,39 +81,39 @@ export declare const UnitsCylindersParams: {
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsCylindersParams = typeof UnitsCylindersParams;
 export interface UnitsCylindersVisualBuilder<P extends UnitsCylindersParams> extends UnitsVisualBuilder<P, Cylinders> {
 }
 export declare function UnitsCylindersVisual<P extends UnitsCylindersParams>(builder: UnitsCylindersVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsPointsParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     sizeFactor: PD.Numeric;
     pointSizeAttenuation: PD.BooleanParam;
-    pointStyle: PD.Select<"square" | "circle" | "fuzzy">;
+    pointStyle: PD.Select<"circle" | "square" | "fuzzy">;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsPointsParams = typeof UnitsPointsParams;
 export interface UnitsPointVisualBuilder<P extends UnitsPointsParams> extends UnitsVisualBuilder<P, Points> {
 }
 export declare function UnitsPointsVisual<P extends UnitsPointsParams>(builder: UnitsPointVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsLinesParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     sizeFactor: PD.Numeric;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsLinesParams = typeof UnitsLinesParams;
 export interface UnitsLinesVisualBuilder<P extends UnitsLinesParams> extends UnitsVisualBuilder<P, Lines> {
 }
 export declare function UnitsLinesVisual<P extends UnitsLinesParams>(builder: UnitsLinesVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsTextParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     sizeFactor: PD.Numeric;
     borderWidth: PD.Numeric;
@@ -135,14 +135,14 @@ export declare const UnitsTextParams: {
     fontVariant: PD.Select<import("../../mol-geo/geometry/text/font-atlas").FontVariant>;
     fontWeight: PD.Select<import("../../mol-geo/geometry/text/font-atlas").FontWeight>;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsTextParams = typeof UnitsTextParams;
 export interface UnitsTextVisualBuilder<P extends UnitsTextParams> extends UnitsVisualBuilder<P, Text> {
 }
 export declare function UnitsTextVisual<P extends UnitsTextParams>(builder: UnitsTextVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsDirectVolumeParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;
@@ -152,7 +152,7 @@ export declare const UnitsDirectVolumeParams: {
     renderMode: PD.Mapped<PD.NamedParams<PD.Normalize<{
         controlPoints: import("../../mol-math/linear-algebra/3d/vec2").Vec2[];
         list: {
-            kind: "interpolate" | "set";
+            kind: "set" | "interpolate";
             colors: import("../../mol-util/color/color").ColorListEntry[];
         };
     }>, "volume"> | PD.NamedParams<PD.Normalize<{
@@ -168,14 +168,14 @@ export declare const UnitsDirectVolumeParams: {
     stepsPerCell: PD.Numeric;
     jumpLength: PD.Numeric;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsDirectVolumeParams = typeof UnitsDirectVolumeParams;
 export interface UnitsDirectVolumeVisualBuilder<P extends UnitsDirectVolumeParams> extends UnitsVisualBuilder<P, DirectVolume> {
 }
 export declare function UnitsDirectVolumeVisual<P extends UnitsDirectVolumeParams>(builder: UnitsDirectVolumeVisualBuilder<P>, materialId: number): UnitsVisual<P>;
 export declare const UnitsTextureMeshParams: {
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     includeParent: PD.BooleanParam;
     doubleSided: PD.BooleanParam;
     flipSided: PD.BooleanParam;
@@ -183,7 +183,7 @@ export declare const UnitsTextureMeshParams: {
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type UnitsTextureMeshParams = typeof UnitsTextureMeshParams;
 export interface UnitsTextureMeshVisualBuilder<P extends UnitsTextureMeshParams> extends UnitsVisualBuilder<P, TextureMesh> {

package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.d.ts

@@ -13,24 +13,28 @@ export declare const InterUnitBondCylinderParams: {
     tryUseImpostor: PD.BooleanParam;
     includeParent: PD.BooleanParam;
     adjustCylinderLength: PD.BooleanParam;
-    includeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
-    excludeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
+    includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
+    excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
     ignoreHydrogens: PD.BooleanParam;
     aromaticBonds: PD.BooleanParam;
+    multipleBonds: PD.Select<"offset" | "off" | "symmetric">;
     linkScale: PD.Numeric;
     linkSpacing: PD.Numeric;
     linkCap: PD.BooleanParam;
+    aromaticScale: PD.Numeric;
+    aromaticSpacing: PD.Numeric;
+    aromaticDashCount: PD.Numeric;
     dashCount: PD.Numeric;
     dashScale: PD.Numeric;
     dashCap: PD.BooleanParam;
     stubCap: PD.BooleanParam;
     radialSegments: PD.Numeric;
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     doubleSided: PD.BooleanParam;
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
     flipSided: PD.BooleanParam;
     flatShaded: PD.BooleanParam;
 };
@@ -41,24 +45,28 @@ export declare function InterUnitBondCylinderVisual(materialId: number, structur
     tryUseImpostor: PD.BooleanParam;
     includeParent: PD.BooleanParam;
     adjustCylinderLength: PD.BooleanParam;
-    includeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
-    excludeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
+    includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
+    excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
     ignoreHydrogens: PD.BooleanParam;
     aromaticBonds: PD.BooleanParam;
+    multipleBonds: PD.Select<"offset" | "off" | "symmetric">;
     linkScale: PD.Numeric;
     linkSpacing: PD.Numeric;
     linkCap: PD.BooleanParam;
+    aromaticScale: PD.Numeric;
+    aromaticSpacing: PD.Numeric;
+    aromaticDashCount: PD.Numeric;
     dashCount: PD.Numeric;
     dashScale: PD.Numeric;
     dashCap: PD.BooleanParam;
     stubCap: PD.BooleanParam;
     radialSegments: PD.Numeric;
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     doubleSided: PD.BooleanParam;
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
     flipSided: PD.BooleanParam;
     flatShaded: PD.BooleanParam;
 }>;

package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js

@@ -35,7 +35,9 @@ function getInterUnitBondCylinderBuilderProps(structure, theme, props) {
     var locB = structure_1.Bond.Location(structure, undefined, undefined, structure, undefined, undefined);
     var bonds = structure.interUnitBonds;
     var edgeCount = bonds.edgeCount, edges = bonds.edges;
-    var sizeFactor = props.sizeFactor, sizeAspectRatio = props.sizeAspectRatio, adjustCylinderLength = props.adjustCylinderLength, aromaticBonds = props.aromaticBonds;
+    var sizeFactor = props.sizeFactor, sizeAspectRatio = props.sizeAspectRatio, adjustCylinderLength = props.adjustCylinderLength, aromaticBonds = props.aromaticBonds, multipleBonds = props.multipleBonds;
+    var mbOff = multipleBonds === 'off';
+    var mbSymmetric = multipleBonds === 'symmetric';
     var delta = (0, linear_algebra_1.Vec3)();
     var stub;
     var child = structure.child;
@@ -121,15 +123,16 @@ function getInterUnitBondCylinderBuilderProps(structure, theme, props) {
                 return 1 /* Dashed */;
             }
             else if (o === 3) {
-                return 3 /* Triple */;
+                return mbOff ? 0 /* Solid */ :
+                    mbSymmetric ? 4 /* Triple */ :
+                        5 /* OffsetTriple */;
             }
             else if (aromaticBonds && types_1.BondType.is(f, 16 /* Aromatic */)) {
-                return 5 /* Aromatic */;
+                return 7 /* Aromatic */;
             }
-            else if (o === 2) {
-                return 2 /* Double */;
-            }
-            return 0 /* Solid */;
+            return (o !== 2 || mbOff) ? 0 /* Solid */ :
+                mbSymmetric ? 2 /* Double */ :
+                    3 /* OffsetDouble */;
         },
         radius: function (edgeIndex) {
             return radius(edgeIndex) * sizeAspectRatio;
@@ -178,13 +181,17 @@ function InterUnitBondCylinderImpostorVisual(materialId) {
                 newProps.linkSpacing !== currentProps.linkSpacing ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.linkCap !== currentProps.linkCap ||
+                newProps.aromaticScale !== currentProps.aromaticScale ||
+                newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
+                newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
                 newProps.dashCount !== currentProps.dashCount ||
                 newProps.dashScale !== currentProps.dashScale ||
                 newProps.dashCap !== currentProps.dashCap ||
                 newProps.stubCap !== currentProps.stubCap ||
                 !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
                 !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes) ||
-                newProps.adjustCylinderLength !== currentProps.adjustCylinderLength);
+                newProps.adjustCylinderLength !== currentProps.adjustCylinderLength ||
+                newProps.multipleBonds !== currentProps.multipleBonds);
             if (newStructure.interUnitBonds !== currentStructure.interUnitBonds) {
                 state.createGeometry = true;
                 state.updateTransform = true;
@@ -213,13 +220,17 @@ function InterUnitBondCylinderMeshVisual(materialId) {
                 newProps.linkSpacing !== currentProps.linkSpacing ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.linkCap !== currentProps.linkCap ||
+                newProps.aromaticScale !== currentProps.aromaticScale ||
+                newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
+                newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
                 newProps.dashCount !== currentProps.dashCount ||
                 newProps.dashScale !== currentProps.dashScale ||
                 newProps.dashCap !== currentProps.dashCap ||
                 newProps.stubCap !== currentProps.stubCap ||
                 !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
                 !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes) ||
-                newProps.adjustCylinderLength !== currentProps.adjustCylinderLength);
+                newProps.adjustCylinderLength !== currentProps.adjustCylinderLength ||
+                newProps.multipleBonds !== currentProps.multipleBonds);
             if (newStructure.interUnitBonds !== currentStructure.interUnitBonds) {
                 state.createGeometry = true;
                 state.updateTransform = true;

package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-cylinder.js.map

@@ -1 +1 @@
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package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.d.ts

@@ -7,18 +7,20 @@ import { ParamDefinition as PD } from '../../../mol-util/param-definition';
 import { ComplexVisual } from '../complex-visual';
 export declare const InterUnitBondLineParams: {
     includeParent: PD.BooleanParam;
-    includeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
-    excludeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
+    includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
+    excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
     ignoreHydrogens: PD.BooleanParam;
     aromaticBonds: PD.BooleanParam;
+    multipleBonds: PD.Select<"offset" | "off" | "symmetric">;
     linkScale: PD.Numeric;
     linkSpacing: PD.Numeric;
+    aromaticDashCount: PD.Numeric;
     dashCount: PD.Numeric;
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     sizeFactor: PD.Numeric;
     lineSizeAttenuation: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
 };
 export declare type InterUnitBondLineParams = typeof InterUnitBondLineParams;
 export declare function InterUnitBondLineVisual(materialId: number): ComplexVisual<InterUnitBondLineParams>;

package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js

@@ -30,9 +30,11 @@ function setRefPosition(pos, structure, unit, index) {
 function createInterUnitBondLines(ctx, structure, theme, props, lines) {
     var bonds = structure.interUnitBonds;
     var edgeCount = bonds.edgeCount, edges = bonds.edges;
-    var sizeFactor = props.sizeFactor, aromaticBonds = props.aromaticBonds;
     if (!edgeCount)
         return lines_1.Lines.createEmpty(lines);
+    var sizeFactor = props.sizeFactor, aromaticBonds = props.aromaticBonds, multipleBonds = props.multipleBonds;
+    var mbOff = multipleBonds === 'off';
+    var mbSymmetric = multipleBonds === 'symmetric';
     var ref = (0, linear_algebra_1.Vec3)();
     var loc = structure_1.StructureElement.Location.create();
     var builderProps = {
@@ -73,15 +75,16 @@ function createInterUnitBondLines(ctx, structure, theme, props, lines) {
                 return 1 /* Dashed */;
             }
             else if (o === 3) {
-                return 3 /* Triple */;
+                return mbOff ? 0 /* Solid */ :
+                    mbSymmetric ? 4 /* Triple */ :
+                        5 /* OffsetTriple */;
             }
             else if (aromaticBonds && types_1.BondType.is(f, 16 /* Aromatic */)) {
-                return 5 /* Aromatic */;
+                return 7 /* Aromatic */;
             }
-            else if (o === 2) {
-                return 2 /* Double */;
-            }
-            return 0 /* Solid */;
+            return (o !== 2 || mbOff) ? 0 /* Solid */ :
+                mbSymmetric ? 2 /* Double */ :
+                    3 /* OffsetDouble */;
         },
         radius: function (edgeIndex) {
             var b = edges[edgeIndex];
@@ -114,10 +117,12 @@ function InterUnitBondLineVisual(materialId) {
             state.createGeometry = (newProps.sizeFactor !== currentProps.sizeFactor ||
                 newProps.linkScale !== currentProps.linkScale ||
                 newProps.linkSpacing !== currentProps.linkSpacing ||
+                newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
                 newProps.dashCount !== currentProps.dashCount ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
-                !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes));
+                !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes) ||
+                newProps.multipleBonds !== currentProps.multipleBonds);
             if (newStructure.interUnitBonds !== currentStructure.interUnitBonds) {
                 state.createGeometry = true;
                 state.updateTransform = true;

package/lib/commonjs/mol-repr/structure/visual/bond-inter-unit-line.js.map

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package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.d.ts

@@ -14,24 +14,28 @@ export declare const IntraUnitBondCylinderParams: {
     tryUseImpostor: PD.BooleanParam;
     includeParent: PD.BooleanParam;
     adjustCylinderLength: PD.BooleanParam;
-    includeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
-    excludeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
+    includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
+    excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
     ignoreHydrogens: PD.BooleanParam;
     aromaticBonds: PD.BooleanParam;
+    multipleBonds: PD.Select<"offset" | "off" | "symmetric">;
     linkScale: PD.Numeric;
     linkSpacing: PD.Numeric;
     linkCap: PD.BooleanParam;
+    aromaticScale: PD.Numeric;
+    aromaticSpacing: PD.Numeric;
+    aromaticDashCount: PD.Numeric;
     dashCount: PD.Numeric;
     dashScale: PD.Numeric;
     dashCap: PD.BooleanParam;
     stubCap: PD.BooleanParam;
     radialSegments: PD.Numeric;
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     doubleSided: PD.BooleanParam;
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
     flipSided: PD.BooleanParam;
     flatShaded: PD.BooleanParam;
 };
@@ -42,24 +46,28 @@ export declare function IntraUnitBondCylinderVisual(materialId: number, structur
     tryUseImpostor: PD.BooleanParam;
     includeParent: PD.BooleanParam;
     adjustCylinderLength: PD.BooleanParam;
-    includeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
-    excludeTypes: PD.MultiSelect<"computed" | "covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic">;
+    includeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
+    excludeTypes: PD.MultiSelect<"covalent" | "metal-coordination" | "hydrogen-bond" | "disulfide" | "aromatic" | "computed">;
     ignoreHydrogens: PD.BooleanParam;
     aromaticBonds: PD.BooleanParam;
+    multipleBonds: PD.Select<"offset" | "off" | "symmetric">;
     linkScale: PD.Numeric;
     linkSpacing: PD.Numeric;
     linkCap: PD.BooleanParam;
+    aromaticScale: PD.Numeric;
+    aromaticSpacing: PD.Numeric;
+    aromaticDashCount: PD.Numeric;
     dashCount: PD.Numeric;
     dashScale: PD.Numeric;
     dashCap: PD.BooleanParam;
     stubCap: PD.BooleanParam;
     radialSegments: PD.Numeric;
-    unitKinds: PD.MultiSelect<"spheres" | "atomic" | "gaussians">;
+    unitKinds: PD.MultiSelect<"spheres" | "gaussians" | "atomic">;
     doubleSided: PD.BooleanParam;
     ignoreLight: PD.BooleanParam;
     xrayShaded: PD.BooleanParam;
     alpha: PD.Numeric;
-    quality: PD.Select<"custom" | "auto" | "highest" | "higher" | "high" | "medium" | "low" | "lower" | "lowest">;
+    quality: PD.Select<"auto" | "medium" | "high" | "low" | "custom" | "highest" | "higher" | "lower" | "lowest">;
     flipSided: PD.BooleanParam;
     flatShaded: PD.BooleanParam;
 }>;

package/lib/commonjs/mol-repr/structure/visual/bond-intra-unit-cylinder.js

@@ -29,7 +29,9 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
     var bonds = unit.bonds;
     var edgeCount = bonds.edgeCount, a = bonds.a, b = bonds.b, edgeProps = bonds.edgeProps, offset = bonds.offset;
     var _order = edgeProps.order, _flags = edgeProps.flags;
-    var sizeFactor = props.sizeFactor, sizeAspectRatio = props.sizeAspectRatio, adjustCylinderLength = props.adjustCylinderLength, aromaticBonds = props.aromaticBonds, includeTypes = props.includeTypes, excludeTypes = props.excludeTypes;
+    var sizeFactor = props.sizeFactor, sizeAspectRatio = props.sizeAspectRatio, adjustCylinderLength = props.adjustCylinderLength, aromaticBonds = props.aromaticBonds, includeTypes = props.includeTypes, excludeTypes = props.excludeTypes, multipleBonds = props.multipleBonds;
+    var mbOff = multipleBonds === 'off';
+    var mbSymmetric = multipleBonds === 'symmetric';
     var include = types_1.BondType.fromNames(includeTypes);
     var exclude = types_1.BondType.fromNames(excludeTypes);
     var ignoreComputedAromatic = (0, bond_1.ignoreBondType)(include, exclude, 32 /* Computed */);
@@ -117,7 +119,9 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
                 return 1 /* Dashed */;
             }
             else if (o === 3) {
-                return 3 /* Triple */;
+                return mbOff ? 0 /* Solid */ :
+                    mbSymmetric ? 4 /* Triple */ :
+                        5 /* OffsetTriple */;
             }
             else if (aromaticBonds) {
                 var aI = a[edgeIndex], bI = b[edgeIndex];
@@ -126,14 +130,16 @@ function getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props) {
                 var arCount = (aR && bR) ? (0, array_1.arrayIntersectionSize)(aR, bR) : 0;
                 if (isBondType(f, 16 /* Aromatic */) || (arCount && !ignoreComputedAromatic)) {
                     if (arCount === 2) {
-                        return 6 /* MirroredAromatic */;
+                        return 8 /* MirroredAromatic */;
                     }
                     else {
-                        return 5 /* Aromatic */;
+                        return 7 /* Aromatic */;
                     }
                 }
             }
-            return o === 2 ? 2 /* Double */ : 0 /* Solid */;
+            return (o !== 2 || mbOff) ? 0 /* Solid */ :
+                mbSymmetric ? 2 /* Double */ :
+                    3 /* OffsetDouble */;
         },
         radius: function (edgeIndex) {
             return radius(edgeIndex) * sizeAspectRatio;
@@ -192,6 +198,9 @@ function IntraUnitBondCylinderImpostorVisual(materialId) {
                 newProps.linkSpacing !== currentProps.linkSpacing ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.linkCap !== currentProps.linkCap ||
+                newProps.aromaticScale !== currentProps.aromaticScale ||
+                newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
+                newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
                 newProps.dashCount !== currentProps.dashCount ||
                 newProps.dashScale !== currentProps.dashScale ||
                 newProps.dashCap !== currentProps.dashCap ||
@@ -199,7 +208,8 @@ function IntraUnitBondCylinderImpostorVisual(materialId) {
                 !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
                 !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes) ||
                 newProps.adjustCylinderLength !== currentProps.adjustCylinderLength ||
-                newProps.aromaticBonds !== currentProps.aromaticBonds);
+                newProps.aromaticBonds !== currentProps.aromaticBonds ||
+                newProps.multipleBonds !== currentProps.multipleBonds);
             var newUnit = newStructureGroup.group.units[0];
             var currentUnit = currentStructureGroup.group.units[0];
             if (structure_1.Unit.isAtomic(newUnit) && structure_1.Unit.isAtomic(currentUnit)) {
@@ -232,6 +242,9 @@ function IntraUnitBondCylinderMeshVisual(materialId) {
                 newProps.linkSpacing !== currentProps.linkSpacing ||
                 newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
                 newProps.linkCap !== currentProps.linkCap ||
+                newProps.aromaticScale !== currentProps.aromaticScale ||
+                newProps.aromaticSpacing !== currentProps.aromaticSpacing ||
+                newProps.aromaticDashCount !== currentProps.aromaticDashCount ||
                 newProps.dashCount !== currentProps.dashCount ||
                 newProps.dashScale !== currentProps.dashScale ||
                 newProps.dashCap !== currentProps.dashCap ||
@@ -239,7 +252,8 @@ function IntraUnitBondCylinderMeshVisual(materialId) {
                 !(0, mol_util_1.arrayEqual)(newProps.includeTypes, currentProps.includeTypes) ||
                 !(0, mol_util_1.arrayEqual)(newProps.excludeTypes, currentProps.excludeTypes) ||
                 newProps.adjustCylinderLength !== currentProps.adjustCylinderLength ||
-                newProps.aromaticBonds !== currentProps.aromaticBonds);
+                newProps.aromaticBonds !== currentProps.aromaticBonds ||
+                newProps.multipleBonds !== currentProps.multipleBonds);
             var newUnit = newStructureGroup.group.units[0];
             var currentUnit = currentStructureGroup.group.units[0];
             if (structure_1.Unit.isAtomic(newUnit) && structure_1.Unit.isAtomic(currentUnit)) {