avoid showing (and calculating) inter-unit bonds for huge structures

CHANGELOG.md

@@ -17,6 +17,7 @@ Note that since we don't clearly distinguish between a public and private interf
   - CLI tools: mvs-validate, mvs-render, mvs-print-schema
   - Labels applied in one node
 - ModelServer SDF/MOL2 ligand export: fix atom indices when additional atoms are present
+- Avoid showing (and calculating) inter-unit bonds for huge structures
 
 ## [v3.43.1] - 2023-12-04
 

src/mol-plugin-state/builder/structure/representation-preset.ts

@@ -264,7 +264,8 @@ const coarseSurface = StructureRepresentationPresetProvider({
         };
 
         const structure = structureCell.obj!.data;
-        const size = Structure.getSize(structure);
+        const thresholds = plugin.config.get(PluginConfig.Structure.SizeThresholds) || Structure.DefaultSizeThresholds;
+        const size = Structure.getSize(structure, thresholds);
         const gaussianProps = Object.create(null);
         if (size === Structure.Size.Gigantic) {
             Object.assign(gaussianProps, {

src/mol-repr/structure/representation/ball-and-stick.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -37,7 +37,14 @@ export const BallAndStickParams = {
 };
 export type BallAndStickParams = typeof BallAndStickParams
 export function getBallAndStickParams(ctx: ThemeRegistryContext, structure: Structure) {
-    return BallAndStickParams;
+    const size = Structure.getSize(structure);
+    if (size >= Structure.Size.Huge) {
+        const params = PD.clone(BallAndStickParams);
+        params.visuals.defaultValue = ['element-sphere', 'intra-bond'];
+        return params;
+    } else {
+        return BallAndStickParams;
+    }
 }
 
 export type BallAndStickRepresentation = StructureRepresentation<BallAndStickParams>

src/mol-repr/structure/representation/line.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2020-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2020-2023 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -39,7 +39,14 @@ export const LineParams = {
 };
 export type LineParams = typeof LineParams
 export function getLineParams(ctx: ThemeRegistryContext, structure: Structure) {
-    return LineParams;
+    const size = Structure.getSize(structure);
+    if (size >= Structure.Size.Huge) {
+        const params = PD.clone(LineParams);
+        params.visuals.defaultValue = ['intra-bond', 'element-point', 'element-cross'];
+        return params;
+    } else {
+        return LineParams;
+    }
 }
 
 export type LineRepresentation = StructureRepresentation<LineParams>