molstar 3.3.0 → 3.5.0

package/lib/commonjs/mol-repr/structure/representation/molecular-surface.js

@@ -18,7 +18,7 @@ var MolecularSurfaceVisuals = {
     'molecular-surface-mesh': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Molecular surface mesh', ctx, getParams, molecular_surface_mesh_1.MolecularSurfaceMeshVisual); },
     'molecular-surface-wireframe': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Molecular surface wireframe', ctx, getParams, molecular_surface_wireframe_1.MolecularSurfaceWireframeVisual); },
 };
-exports.MolecularSurfaceParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, molecular_surface_mesh_1.MolecularSurfaceMeshParams), molecular_surface_wireframe_1.MolecularSurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['molecular-surface-mesh'], param_definition_1.ParamDefinition.objectToOptions(MolecularSurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
+exports.MolecularSurfaceParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, molecular_surface_mesh_1.MolecularSurfaceMeshParams), molecular_surface_wireframe_1.MolecularSurfaceWireframeParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['molecular-surface-mesh'], param_definition_1.ParamDefinition.objectToOptions(MolecularSurfaceVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
 function getMolecularSurfaceParams(ctx, structure) {
     return param_definition_1.ParamDefinition.clone(exports.MolecularSurfaceParams);
 }

package/lib/commonjs/mol-repr/structure/representation/orientation.js

@@ -16,7 +16,7 @@ var base_1 = require("../../../mol-geo/geometry/base");
 var OrientationVisuals = {
     'orientation-ellipsoid-mesh': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Orientation ellipsoid mesh', ctx, getParams, orientation_ellipsoid_mesh_1.OrientationEllipsoidMeshVisual); },
 };
-exports.OrientationParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, orientation_ellipsoid_mesh_1.OrientationEllipsoidMeshParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['orientation-ellipsoid-mesh'], param_definition_1.ParamDefinition.objectToOptions(OrientationVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
+exports.OrientationParams = tslib_1.__assign(tslib_1.__assign({}, orientation_ellipsoid_mesh_1.OrientationEllipsoidMeshParams), { visuals: param_definition_1.ParamDefinition.MultiSelect(['orientation-ellipsoid-mesh'], param_definition_1.ParamDefinition.objectToOptions(OrientationVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
 function getOrientationParams(ctx, structure) {
     return param_definition_1.ParamDefinition.clone(exports.OrientationParams);
 }

package/lib/commonjs/mol-repr/structure/representation/point.js

@@ -15,7 +15,7 @@ var representation_2 = require("../../../mol-repr/representation");
 var PointVisuals = {
     'element-point': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Points', ctx, getParams, element_point_1.ElementPointVisual); },
 };
-exports.PointParams = (0, tslib_1.__assign)({}, element_point_1.ElementPointParams);
+exports.PointParams = tslib_1.__assign({}, element_point_1.ElementPointParams);
 function getPointParams(ctx, structure) {
     return param_definition_1.ParamDefinition.clone(exports.PointParams);
 }

package/lib/commonjs/mol-repr/structure/representation/putty.js

@@ -19,7 +19,7 @@ var PuttyVisuals = {
     'polymer-tube': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer tube mesh', ctx, getParams, polymer_tube_mesh_1.PolymerTubeVisual); },
     'polymer-gap': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Polymer gap cylinder', ctx, getParams, polymer_gap_cylinder_1.PolymerGapVisual); },
 };
-exports.PuttyParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, polymer_tube_mesh_1.PolymerTubeParams), polymer_gap_cylinder_1.PolymerGapParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['polymer-tube', 'polymer-gap'], param_definition_1.ParamDefinition.objectToOptions(PuttyVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(2, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
+exports.PuttyParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, polymer_tube_mesh_1.PolymerTubeParams), polymer_gap_cylinder_1.PolymerGapParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 10, step: 0.01 }), visuals: param_definition_1.ParamDefinition.MultiSelect(['polymer-tube', 'polymer-gap'], param_definition_1.ParamDefinition.objectToOptions(PuttyVisuals)), bumpFrequency: param_definition_1.ParamDefinition.Numeric(2, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
 function getPuttyParams(ctx, structure) {
     var params = param_definition_1.ParamDefinition.clone(exports.PuttyParams);
     var hasNucleotides = false;

package/lib/commonjs/mol-repr/structure/representation/spacefill.js

@@ -16,7 +16,7 @@ var base_1 = require("../../../mol-geo/geometry/base");
 var SpacefillVisuals = {
     'element-sphere': function (ctx, getParams) { return (0, units_representation_1.UnitsRepresentation)('Sphere mesh', ctx, getParams, element_sphere_1.ElementSphereVisual); },
 };
-exports.SpacefillParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, element_sphere_1.ElementSphereParams), { bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
+exports.SpacefillParams = tslib_1.__assign(tslib_1.__assign({}, element_sphere_1.ElementSphereParams), { bumpFrequency: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }, base_1.BaseGeometry.ShadingCategory) });
 function getSpacefillParams(ctx, structure) {
     var params = param_definition_1.ParamDefinition.clone(exports.SpacefillParams);
     if (structure.isCoarseGrained) {

package/lib/commonjs/mol-repr/structure/representation.js

@@ -11,7 +11,7 @@ var tslib_1 = require("tslib");
 var representation_1 = require("../representation");
 exports.StructureRepresentationStateBuilder = {
     create: function () {
-        return (0, tslib_1.__assign)((0, tslib_1.__assign)({}, representation_1.Representation.createState()), { unitTransforms: null, unitTransformsVersion: -1 });
+        return tslib_1.__assign(tslib_1.__assign({}, representation_1.Representation.createState()), { unitTransforms: null, unitTransformsVersion: -1 });
     },
     update: function (state, update) {
         representation_1.Representation.updateState(state, update);

package/lib/commonjs/mol-repr/structure/units-representation.js

@@ -47,10 +47,10 @@ function UnitsRepresentation(label, ctx, getParams, visualCtor) {
                 _props = param_definition_1.ParamDefinition.getDefaultValues(_params);
         }
         _props = Object.assign({}, _props, props);
-        return mol_task_1.Task.create('Creating or updating UnitsRepresentation', function (runtime) { return (0, tslib_1.__awaiter)(_this, void 0, void 0, function () {
+        return mol_task_1.Task.create('Creating or updating UnitsRepresentation', function (runtime) { return tslib_1.__awaiter(_this, void 0, void 0, function () {
             var i, group, visual, promise, oldVisuals, i, group, visualGroup, visual, promise, promise, arr, visual, promise, i, group, visualGroup, visual, promise, promise, visualsList_1, i, il, _a, visual, group, promise, promise;
             var _b, _c, _d;
-            return (0, tslib_1.__generator)(this, function (_e) {
+            return tslib_1.__generator(this, function (_e) {
                 switch (_e.label) {
                     case 0:
                         if (!(!_structure && !structure)) return [3 /*break*/, 1];

package/lib/commonjs/mol-repr/structure/units-visual.js

@@ -300,9 +300,9 @@ function UnitsVisual(builder, materialId) {
 }
 exports.UnitsVisual = UnitsVisual;
 // mesh
-exports.UnitsMeshParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureMeshParams), params_1.StructureParams);
+exports.UnitsMeshParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureMeshParams), params_1.StructureParams);
 function UnitsMeshVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.createGeometry = true;
@@ -310,9 +310,9 @@ function UnitsMeshVisual(builder, materialId) {
 }
 exports.UnitsMeshVisual = UnitsMeshVisual;
 // spheres
-exports.UnitsSpheresParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureSpheresParams), params_1.StructureParams);
+exports.UnitsSpheresParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureSpheresParams), params_1.StructureParams);
 function UnitsSpheresVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.updateSize = true;
@@ -320,9 +320,9 @@ function UnitsSpheresVisual(builder, materialId) {
 }
 exports.UnitsSpheresVisual = UnitsSpheresVisual;
 // cylinders
-exports.UnitsCylindersParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureCylindersParams), params_1.StructureParams);
+exports.UnitsCylindersParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureCylindersParams), params_1.StructureParams);
 function UnitsCylindersVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.updateSize = true;
@@ -330,9 +330,9 @@ function UnitsCylindersVisual(builder, materialId) {
 }
 exports.UnitsCylindersVisual = UnitsCylindersVisual;
 // points
-exports.UnitsPointsParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructurePointsParams), params_1.StructureParams);
+exports.UnitsPointsParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructurePointsParams), params_1.StructureParams);
 function UnitsPointsVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.updateSize = true;
@@ -340,9 +340,9 @@ function UnitsPointsVisual(builder, materialId) {
 }
 exports.UnitsPointsVisual = UnitsPointsVisual;
 // lines
-exports.UnitsLinesParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureLinesParams), params_1.StructureParams);
+exports.UnitsLinesParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureLinesParams), params_1.StructureParams);
 function UnitsLinesVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.updateSize = true;
@@ -350,9 +350,9 @@ function UnitsLinesVisual(builder, materialId) {
 }
 exports.UnitsLinesVisual = UnitsLinesVisual;
 // text
-exports.UnitsTextParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureTextParams), params_1.StructureParams);
+exports.UnitsTextParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureTextParams), params_1.StructureParams);
 function UnitsTextVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.updateSize = true;
@@ -382,9 +382,9 @@ function UnitsTextVisual(builder, materialId) {
 }
 exports.UnitsTextVisual = UnitsTextVisual;
 // direct-volume
-exports.UnitsDirectVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureDirectVolumeParams), params_1.StructureParams);
+exports.UnitsDirectVolumeParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureDirectVolumeParams), params_1.StructureParams);
 function UnitsDirectVolumeVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.createGeometry = true;
@@ -392,9 +392,9 @@ function UnitsDirectVolumeVisual(builder, materialId) {
 }
 exports.UnitsDirectVolumeVisual = UnitsDirectVolumeVisual;
 // texture-mesh
-exports.UnitsTextureMeshParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, params_1.StructureTextureMeshParams), params_1.StructureParams);
+exports.UnitsTextureMeshParams = tslib_1.__assign(tslib_1.__assign({}, params_1.StructureTextureMeshParams), params_1.StructureParams);
 function UnitsTextureMeshVisual(builder, materialId) {
-    return UnitsVisual((0, tslib_1.__assign)((0, tslib_1.__assign)({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
+    return UnitsVisual(tslib_1.__assign(tslib_1.__assign({}, builder), { setUpdateState: function (state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup) {
             builder.setUpdateState(state, newProps, currentProps, newTheme, currentTheme, newStructureGroup, currentStructureGroup);
             if (!size_1.SizeTheme.areEqual(newTheme.size, currentTheme.size))
                 state.createGeometry = true;

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

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

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

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -145,23 +145,33 @@ function createInterUnitBondCylinderImpostors(ctx, structure, theme, props, cyli
     if (!structure.interUnitBonds.edgeCount)
         return cylinders_1.Cylinders.createEmpty(cylinders);
     var builderProps = getInterUnitBondCylinderBuilderProps(structure, theme, props);
-    var m = (0, link_1.createLinkCylinderImpostors)(ctx, builderProps, props, cylinders);
-    var child = structure.child;
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * props.sizeFactor);
-    m.setBoundingSphere(sphere);
-    return m;
+    var _a = (0, link_1.createLinkCylinderImpostors)(ctx, builderProps, props, cylinders), c = _a.cylinders, boundingSphere = _a.boundingSphere;
+    if (boundingSphere) {
+        c.setBoundingSphere(boundingSphere);
+    }
+    else if (c.cylinderCount > 0) {
+        var child = structure.child;
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * props.sizeFactor);
+        c.setBoundingSphere(sphere);
+    }
+    return c;
 }
 function createInterUnitBondCylinderMesh(ctx, structure, theme, props, mesh) {
     if (!structure.interUnitBonds.edgeCount)
         return mesh_1.Mesh.createEmpty(mesh);
     var builderProps = getInterUnitBondCylinderBuilderProps(structure, theme, props);
-    var m = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
-    var child = structure.child;
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * props.sizeFactor);
-    m.setBoundingSphere(sphere);
+    var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
+    if (boundingSphere) {
+        m.setBoundingSphere(boundingSphere);
+    }
+    else if (m.triangleCount > 0) {
+        var child = structure.child;
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * props.sizeFactor);
+        m.setBoundingSphere(sphere);
+    }
     return m;
 }
-exports.InterUnitBondCylinderParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexMeshParams), complex_visual_1.ComplexCylindersParams), bond_1.BondCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(2 / 3, { min: 0, max: 3, step: 0.01 }), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
+exports.InterUnitBondCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), complex_visual_1.ComplexCylindersParams), bond_1.BondCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(2 / 3, { min: 0, max: 3, step: 0.01 }), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
 function InterUnitBondCylinderVisual(materialId, structure, props, webgl) {
     return props.tryUseImpostor && webgl && webgl.extensions.fragDepth
         ? InterUnitBondCylinderImpostorVisual(materialId)

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

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2020-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

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

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2020-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -99,13 +99,18 @@ function createInterUnitBondLines(ctx, structure, theme, props, lines) {
         },
         ignore: (0, bond_1.makeInterBondIgnoreTest)(structure, props)
     };
-    var l = (0, link_1.createLinkLines)(ctx, builderProps, props, lines);
-    var child = structure.child;
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * props.sizeFactor);
-    l.setBoundingSphere(sphere);
+    var _a = (0, link_1.createLinkLines)(ctx, builderProps, props, lines), l = _a.lines, boundingSphere = _a.boundingSphere;
+    if (boundingSphere) {
+        l.setBoundingSphere(boundingSphere);
+    }
+    else if (l.lineCount > 0) {
+        var child = structure.child;
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (child !== null && child !== void 0 ? child : structure).boundary.sphere, 1 * sizeFactor);
+        l.setBoundingSphere(sphere);
+    }
     return l;
 }
-exports.InterUnitBondLineParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexLinesParams), bond_1.BondLineParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false) });
+exports.InterUnitBondLineParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexLinesParams), bond_1.BondLineParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false) });
 function InterUnitBondLineVisual(materialId) {
     return (0, complex_visual_1.ComplexLinesVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.InterUnitBondLineParams),

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

@@ -165,9 +165,14 @@ function createIntraUnitBondCylinderImpostors(ctx, unit, structure, theme, props
     if (child && !childUnit)
         return cylinders_1.Cylinders.createEmpty(cylinders);
     var builderProps = getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props);
-    var c = (0, link_1.createLinkCylinderImpostors)(ctx, builderProps, props, cylinders);
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * props.sizeFactor);
-    c.setBoundingSphere(sphere);
+    var _a = (0, link_1.createLinkCylinderImpostors)(ctx, builderProps, props, cylinders), c = _a.cylinders, boundingSphere = _a.boundingSphere;
+    if (boundingSphere) {
+        c.setBoundingSphere(boundingSphere);
+    }
+    else if (c.cylinderCount > 0) {
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * props.sizeFactor);
+        c.setBoundingSphere(sphere);
+    }
     return c;
 }
 function createIntraUnitBondCylinderMesh(ctx, unit, structure, theme, props, mesh) {
@@ -180,12 +185,17 @@ function createIntraUnitBondCylinderMesh(ctx, unit, structure, theme, props, mes
     if (child && !childUnit)
         return mesh_1.Mesh.createEmpty(mesh);
     var builderProps = getIntraUnitBondCylinderBuilderProps(unit, structure, theme, props);
-    var m = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * props.sizeFactor);
-    m.setBoundingSphere(sphere);
+    var _a = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _a.mesh, boundingSphere = _a.boundingSphere;
+    if (boundingSphere) {
+        m.setBoundingSphere(boundingSphere);
+    }
+    else if (m.triangleCount > 0) {
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * props.sizeFactor);
+        m.setBoundingSphere(sphere);
+    }
     return m;
 }
-exports.IntraUnitBondCylinderParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsCylindersParams), bond_1.BondCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(2 / 3, { min: 0, max: 3, step: 0.01 }), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
+exports.IntraUnitBondCylinderParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsCylindersParams), bond_1.BondCylinderParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 10, step: 0.01 }), sizeAspectRatio: param_definition_1.ParamDefinition.Numeric(2 / 3, { min: 0, max: 3, step: 0.01 }), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true), includeParent: param_definition_1.ParamDefinition.Boolean(false) });
 function IntraUnitBondCylinderVisual(materialId, structure, props, webgl) {
     return props.tryUseImpostor && webgl && webgl.extensions.fragDepth
         ? IntraUnitBondCylinderImpostorVisual(materialId)

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

@@ -125,12 +125,17 @@ function createIntraUnitBondLines(ctx, unit, structure, theme, props, lines) {
         },
         ignore: (0, bond_1.makeIntraBondIgnoreTest)(structure, unit, props)
     };
-    var l = (0, link_1.createLinkLines)(ctx, builderProps, props, lines);
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
-    l.setBoundingSphere(sphere);
+    var _b = (0, link_1.createLinkLines)(ctx, builderProps, props, lines), l = _b.lines, boundingSphere = _b.boundingSphere;
+    if (boundingSphere) {
+        l.setBoundingSphere(boundingSphere);
+    }
+    else if (l.lineCount > 0) {
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), (childUnit !== null && childUnit !== void 0 ? childUnit : unit).boundary.sphere, 1 * sizeFactor);
+        l.setBoundingSphere(sphere);
+    }
     return l;
 }
-exports.IntraUnitBondLineParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsLinesParams), bond_1.BondLineParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false) });
+exports.IntraUnitBondLineParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), bond_1.BondLineParams), { includeParent: param_definition_1.ParamDefinition.Boolean(false) });
 function IntraUnitBondLineVisual(materialId) {
     return (0, units_visual_1.UnitsLinesVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.IntraUnitBondLineParams),

package/lib/commonjs/mol-repr/structure/visual/carbohydrate-link-cylinder.js

@@ -17,6 +17,7 @@ var units_visual_1 = require("../units-visual");
 var param_definition_1 = require("../../../mol-util/param-definition");
 var location_iterator_1 = require("../../../mol-geo/util/location-iterator");
 var common_1 = require("./util/common");
+var geometry_1 = require("../../../mol-math/geometry");
 function createCarbohydrateLinkCylinderMesh(ctx, structure, theme, props, mesh) {
     var _a = structure.carbohydrates, links = _a.links, elements = _a.elements;
     var linkSizeFactor = props.linkSizeFactor;
@@ -37,9 +38,17 @@ function createCarbohydrateLinkCylinderMesh(ctx, structure, theme, props, mesh)
             return theme.size.size(location) * linkSizeFactor;
         },
     };
-    return (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
+    var _b = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _b.mesh, boundingSphere = _b.boundingSphere;
+    if (boundingSphere) {
+        m.setBoundingSphere(boundingSphere);
+    }
+    else if (m.triangleCount > 0) {
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * linkSizeFactor);
+        m.setBoundingSphere(sphere);
+    }
+    return m;
 }
-exports.CarbohydrateLinkParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { linkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 3, step: 0.01 }) });
+exports.CarbohydrateLinkParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { linkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.3, { min: 0, max: 3, step: 0.01 }) });
 function CarbohydrateLinkVisual(materialId) {
     return (0, complex_visual_1.ComplexMeshVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateLinkParams),

package/lib/commonjs/mol-repr/structure/visual/carbohydrate-symbol-mesh.js

@@ -145,7 +145,7 @@ function createCarbohydrateSymbolMesh(ctx, structure, theme, props, mesh) {
     }
     return mesh_builder_1.MeshBuilder.getMesh(builderState);
 }
-exports.CarbohydrateSymbolParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexMeshParams), { detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), sizeFactor: param_definition_1.ParamDefinition.Numeric(1.75, { min: 0, max: 10, step: 0.01 }) });
+exports.CarbohydrateSymbolParams = tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexMeshParams), { detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), sizeFactor: param_definition_1.ParamDefinition.Numeric(1.75, { min: 0, max: 10, step: 0.01 }) });
 function CarbohydrateSymbolVisual(materialId) {
     return (0, complex_visual_1.ComplexMeshVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateSymbolParams),

package/lib/commonjs/mol-repr/structure/visual/carbohydrate-terminal-link-cylinder.js

@@ -18,6 +18,7 @@ var int_1 = require("../../../mol-data/int");
 var loci_1 = require("../../../mol-model/loci");
 var common_1 = require("../../../mol-model/structure/structure/unit/bonds/common");
 var common_2 = require("./util/common");
+var geometry_1 = require("../../../mol-math/geometry");
 function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props, mesh) {
     var _a = structure.carbohydrates, terminalLinks = _a.terminalLinks, elements = _a.elements;
     var terminalLinkSizeFactor = props.terminalLinkSizeFactor;
@@ -56,9 +57,17 @@ function createCarbohydrateTerminalLinkCylinderMesh(ctx, structure, theme, props
             return common_1.MetalsSet.has(beI) ? 1 /* Dashed */ : 0 /* Solid */;
         }
     };
-    return (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh);
+    var _b = (0, link_1.createLinkCylinderMesh)(ctx, builderProps, props, mesh), m = _b.mesh, boundingSphere = _b.boundingSphere;
+    if (boundingSphere) {
+        m.setBoundingSphere(boundingSphere);
+    }
+    else if (m.triangleCount > 0) {
+        var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, 1 * terminalLinkSizeFactor);
+        m.setBoundingSphere(sphere);
+    }
+    return m;
 }
-exports.CarbohydrateTerminalLinkParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { terminalLinkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 3, step: 0.01 }) });
+exports.CarbohydrateTerminalLinkParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), link_1.LinkCylinderParams), { terminalLinkSizeFactor: param_definition_1.ParamDefinition.Numeric(0.2, { min: 0, max: 3, step: 0.01 }) });
 function CarbohydrateTerminalLinkVisual(materialId) {
     return (0, complex_visual_1.ComplexMeshVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.CarbohydrateTerminalLinkParams),

package/lib/commonjs/mol-repr/structure/visual/element-cross.js

@@ -21,7 +21,7 @@ var v3scaleAndAdd = linear_algebra_1.Vec3.scaleAndAdd;
 var v3unitX = linear_algebra_1.Vec3.unitX;
 var v3unitY = linear_algebra_1.Vec3.unitY;
 var v3unitZ = linear_algebra_1.Vec3.unitZ;
-exports.ElementCrossParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsLinesParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), crosses: param_definition_1.ParamDefinition.Select('lone', param_definition_1.ParamDefinition.arrayToOptions(['lone', 'all'])), crossSize: param_definition_1.ParamDefinition.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
+exports.ElementCrossParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), crosses: param_definition_1.ParamDefinition.Select('lone', param_definition_1.ParamDefinition.arrayToOptions(['lone', 'all'])), crossSize: param_definition_1.ParamDefinition.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
 function createElementCross(ctx, unit, structure, theme, props, lines) {
     var child = structure.child;
     if (child && !child.unitMap.get(unit.id))

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

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */

package/lib/commonjs/mol-repr/structure/visual/element-point.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -14,7 +14,9 @@ var points_builder_1 = require("../../../mol-geo/geometry/points/points-builder"
 var linear_algebra_1 = require("../../../mol-math/linear-algebra");
 var element_1 = require("./util/element");
 var geometry_1 = require("../../../mol-math/geometry");
-exports.ElementPointParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsPointsParams), { pointSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false) });
+// avoiding namespace lookup improved performance in Chrome (Aug 2020)
+var v3add = linear_algebra_1.Vec3.add;
+exports.ElementPointParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsPointsParams), { pointSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false) });
 // TODO size
 function createElementPoint(ctx, unit, structure, theme, props, points) {
     // TODO sizeFactor
@@ -27,23 +29,40 @@ function createElementPoint(ctx, unit, structure, theme, props, points) {
     var p = (0, linear_algebra_1.Vec3)();
     var pos = unit.conformation.invariantPosition;
     var ignore = (0, element_1.makeElementIgnoreTest)(structure, unit, props);
+    var center = (0, linear_algebra_1.Vec3)();
+    var count = 0;
     if (ignore) {
         for (var i = 0; i < n; ++i) {
             if (ignore(elements[i]))
                 continue;
             pos(elements[i], p);
+            v3add(center, center, p);
+            count += 1;
             builder.add(p[0], p[1], p[2], i);
         }
     }
     else {
         for (var i = 0; i < n; ++i) {
             pos(elements[i], p);
+            v3add(center, center, p);
+            count += 1;
             builder.add(p[0], p[1], p[2], i);
         }
     }
+    var oldBoundingSphere = points ? geometry_1.Sphere3D.clone(points.boundingSphere) : undefined;
     var pt = builder.getPoints();
-    var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor);
-    pt.setBoundingSphere(sphere);
+    if (count === 0)
+        return pt;
+    // re-use boundingSphere if it has not changed much
+    var boundingSphere;
+    linear_algebra_1.Vec3.scale(center, center, 1 / count);
+    if (oldBoundingSphere && linear_algebra_1.Vec3.distance(center, oldBoundingSphere.center) / oldBoundingSphere.radius < 1.0) {
+        boundingSphere = oldBoundingSphere;
+    }
+    else {
+        boundingSphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor);
+    }
+    pt.setBoundingSphere(boundingSphere);
     return pt;
 }
 exports.createElementPoint = createElementPoint;

package/lib/commonjs/mol-repr/structure/visual/element-sphere.js

@@ -12,7 +12,7 @@ var param_definition_1 = require("../../../mol-util/param-definition");
 var units_visual_1 = require("../units-visual");
 var element_1 = require("./util/element");
 var base_1 = require("../../../mol-geo/geometry/base");
-exports.ElementSphereParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsSpheresParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true) });
+exports.ElementSphereParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), units_visual_1.UnitsSpheresParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), tryUseImpostor: param_definition_1.ParamDefinition.Boolean(true) });
 function ElementSphereVisual(materialId, structure, props, webgl) {
     return props.tryUseImpostor && webgl && webgl.extensions.fragDepth
         ? ElementSphereImpostorVisual(materialId)

package/lib/commonjs/mol-repr/structure/visual/ellipsoid-mesh.js

@@ -23,7 +23,7 @@ var sphere_2 = require("../../../mol-geo/geometry/mesh/builder/sphere");
 var geometry_1 = require("../../../mol-math/geometry");
 var base_1 = require("../../../mol-geo/geometry/base");
 var sorted_array_1 = require("../../../mol-data/int/sorted-array");
-exports.EllipsoidMeshParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsMeshParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false) });
+exports.EllipsoidMeshParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsMeshParams), { sizeFactor: param_definition_1.ParamDefinition.Numeric(1, { min: 0, max: 10, step: 0.1 }), detail: param_definition_1.ParamDefinition.Numeric(0, { min: 0, max: 3, step: 1 }, base_1.BaseGeometry.CustomQualityParamInfo), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false) });
 function EllipsoidMeshVisual(materialId) {
     return (0, units_visual_1.UnitsMeshVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.EllipsoidMeshParams),

package/lib/commonjs/mol-repr/structure/visual/gaussian-density-volume.js

@@ -15,11 +15,10 @@ var linear_algebra_1 = require("../../../mol-math/linear-algebra");
 var element_1 = require("./util/element");
 var geometry_1 = require("../../../mol-math/geometry");
 var units_visual_1 = require("../units-visual");
-var common_1 = require("./util/common");
 function createGaussianDensityVolume(ctx, structure, theme, props, directVolume) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     runtime = ctx.runtime, webgl = ctx.webgl;
@@ -36,14 +35,14 @@ function createGaussianDensityVolume(ctx, structure, theme, props, directVolume)
                     cellDim = linear_algebra_1.Mat4.getScaling((0, linear_algebra_1.Vec3)(), transform);
                     axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
                     vol = direct_volume_1.DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
-                    sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, props.radiusOffset + (0, common_1.getStructureExtraRadius)(structure));
+                    sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), structure.boundary.sphere, densityTextureData.maxRadius);
                     vol.setBoundingSphere(sphere);
                     return [2 /*return*/, vol];
             }
         });
     });
 }
-exports.GaussianDensityVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, complex_visual_1.ComplexDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
+exports.GaussianDensityVolumeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, complex_visual_1.ComplexDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
 function GaussianDensityVolumeVisual(materialId) {
     return (0, complex_visual_1.ComplexDirectVolumeVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.GaussianDensityVolumeParams),
@@ -73,9 +72,9 @@ function GaussianDensityVolumeVisual(materialId) {
 exports.GaussianDensityVolumeVisual = GaussianDensityVolumeVisual;
 //
 function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, directVolume) {
-    return (0, tslib_1.__awaiter)(this, void 0, void 0, function () {
+    return tslib_1.__awaiter(this, void 0, void 0, function () {
         var runtime, webgl, oldTexture, densityTextureData, transform, texture, bbox, gridDim, stats, unitToCartn, cellDim, axisOrder, vol, sphere;
-        return (0, tslib_1.__generator)(this, function (_a) {
+        return tslib_1.__generator(this, function (_a) {
             switch (_a.label) {
                 case 0:
                     runtime = ctx.runtime, webgl = ctx.webgl;
@@ -95,14 +94,14 @@ function createUnitsGaussianDensityVolume(ctx, unit, structure, theme, props, di
                     cellDim = linear_algebra_1.Mat4.getScaling((0, linear_algebra_1.Vec3)(), transform);
                     axisOrder = linear_algebra_1.Vec3.create(0, 1, 2);
                     vol = direct_volume_1.DirectVolume.create(bbox, gridDim, transform, unitToCartn, cellDim, texture, stats, true, axisOrder, directVolume);
-                    sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, props.radiusOffset + (0, common_1.getUnitExtraRadius)(unit));
+                    sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, densityTextureData.maxRadius);
                     vol.setBoundingSphere(sphere);
                     return [2 /*return*/, vol];
             }
         });
     });
 }
-exports.UnitsGaussianDensityVolumeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)((0, tslib_1.__assign)({}, units_visual_1.UnitsDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
+exports.UnitsGaussianDensityVolumeParams = tslib_1.__assign(tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsDirectVolumeParams), gaussian_1.GaussianDensityParams), { ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), includeParent: param_definition_1.ParamDefinition.Boolean(false, { isHidden: true }) });
 function UnitsGaussianDensityVolumeVisual(materialId) {
     return (0, units_visual_1.UnitsDirectVolumeVisual)({
         defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.UnitsGaussianDensityVolumeParams),

package/lib/commonjs/mol-repr/structure/visual/gaussian-surface-mesh.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */