Merge branch 'master' of https://github.com/molstar/molstar into fake_shadow

CHANGELOG.md

@@ -6,6 +6,11 @@ Note that since we don't clearly distinguish between a public and private interf
 
 ## [Unreleased]
 
+## [v3.25.1] - 2022-11-20
+
+- Fix edge-case in `Structure.eachUnitPair` with single-element units
+- Fix 'auto' structure-quality for coarse models
+
 ## [v3.25.0] - 2022-11-16
 
 - Fix handling of gzipped assets (reverts #615)

package-lock.json

@@ -1,12 +1,12 @@
 {
   "name": "molstar",
-  "version": "3.25.0",
+  "version": "3.25.1",
   "lockfileVersion": 2,
   "requires": true,
   "packages": {
     "": {
       "name": "molstar",
-      "version": "3.25.0",
+      "version": "3.25.1",
       "license": "MIT",
       "dependencies": {
         "@types/argparse": "^2.0.10",

package.json

@@ -1,6 +1,6 @@
 {
   "name": "molstar",
-  "version": "3.25.0",
+  "version": "3.25.1",
   "description": "A comprehensive macromolecular library.",
   "homepage": "https://github.com/molstar/molstar#readme",
   "repository": {

src/mol-model/structure/structure/structure.ts

@@ -1224,7 +1224,7 @@ namespace Structure {
             const closeUnits = lookup.findUnitIndices(imageCenter[0], imageCenter[1], imageCenter[2], bs.radius + maxRadius);
             for (let i = 0; i < closeUnits.count; i++) {
                 const other = structure.units[closeUnits.indices[i]];
-                if (!Box3D.overlaps(bbox, other.boundary.box)) continue;
+                if (other.elements.length > 3 && !Box3D.overlaps(bbox, other.boundary.box)) continue;
                 if (!validUnit(other) || unit.id >= other.id || !validUnitPair(unit, other)) continue;
 
                 if (other.elements.length >= unit.elements.length) callback(unit, other);

src/mol-repr/util.ts

@@ -75,7 +75,7 @@ export type QualityThresholds = typeof DefaultQualityThresholds
 export function getStructureQuality(structure: Structure, tresholds: Partial<QualityThresholds> = {}): VisualQuality {
     const t = { ...DefaultQualityThresholds, ...tresholds };
     let score = structure.elementCount * t.elementCountFactor;
-    if (structure.isCoarseGrained) score *= t.coarseGrainedFactor;
+    if (structure.isCoarseGrained || structure.isCoarse) score *= t.coarseGrainedFactor;
     if (score > t.lowestElementCount) {
         return 'lowest';
     } else if (score > t.lowerElementCount) {