expose control over aromatic bond vis

CHANGELOG.md

@@ -2,7 +2,7 @@
 
 [Semantic Versioning](https://semver.org/)
 
-## Unreleased
+## [2.8.0] - 2023-10-02
 ### Added
 - Dedicated ligand viewer for the visualization of CCD/BIRD entries
 

package-lock.json

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-            "version": "1.66.1",
-            "resolved": "https://registry.npmjs.org/sass/-/sass-1.66.1.tgz",
-            "integrity": "sha512-50c+zTsZOJVgFfTgwwEzkjA3/QACgdNsKueWPyAR0mRINIvLAStVQBbPg14iuqEQ74NPDbXzJARJ/O4SI1zftA==",
+            "version": "1.68.0",
+            "resolved": "https://registry.npmjs.org/sass/-/sass-1.68.0.tgz",
+            "integrity": "sha512-Lmj9lM/fef0nQswm1J2HJcEsBUba4wgNx2fea6yJHODREoMFnwRpZydBnX/RjyXw2REIwdkbqE4hrTo4qfDBUA==",
             "dev": true,
             "requires": {
                 "chokidar": ">=3.0.0 <4.0.0",
@@ -12305,9 +12305,9 @@
             "dev": true
         },
         "swagger-ui-dist": {
-            "version": "5.4.2",
-            "resolved": "https://registry.npmjs.org/swagger-ui-dist/-/swagger-ui-dist-5.4.2.tgz",
-            "integrity": "sha512-vT5QxP/NOr9m4gLZl+SpavWI3M9Fdh30+Sdw9rEtZbkqNmNNEPhjXas2xTD9rsJYYdLzAiMfwXvtooWH3xbLJA=="
+            "version": "5.9.0",
+            "resolved": "https://registry.npmjs.org/swagger-ui-dist/-/swagger-ui-dist-5.9.0.tgz",
+            "integrity": "sha512-NUHSYoe5XRTk/Are8jPJ6phzBh3l9l33nEyXosM17QInoV95/jng8+PuSGtbD407QoPf93MH3Bkh773OgesJpA=="
         },
         "tapable": {
             "version": "2.2.1",

package.json

@@ -37,21 +37,21 @@
     "author": "RCSB PDB and Mol* Contributors",
     "license": "MIT",
     "devDependencies": {
-        "@typescript-eslint/eslint-plugin": "^6.5.0",
-        "@typescript-eslint/parser": "^6.5.0",
+        "@typescript-eslint/eslint-plugin": "^6.7.4",
+        "@typescript-eslint/parser": "^6.7.4",
         "buffer": "^6.0.3",
         "concurrently": "^8.2.1",
         "cpx2": "^5.0.0",
         "crypto-browserify": "^3.12.0",
         "css-loader": "^6.8.1",
-        "eslint": "^8.48.0",
+        "eslint": "^8.50.0",
         "extra-watch-webpack-plugin": "^1.0.3",
         "file-loader": "^6.2.0",
         "fs-extra": "^11.1.1",
         "mini-css-extract-plugin": "^2.7.6",
         "path-browserify": "^1.0.1",
         "raw-loader": "^4.0.2",
-        "sass": "^1.66.1",
+        "sass": "^1.68.0",
         "sass-loader": "^13.3.2",
         "stream-browserify": "^3.0.0",
         "style-loader": "^3.3.3",
@@ -60,9 +60,9 @@
         "webpack-cli": "^5.1.4"
     },
     "dependencies": {
-        "@types/react": "^18.2.21",
-        "@types/react-dom": "^18.2.7",
-        "molstar": "^3.39.0",
+        "@types/react": "^18.2.24",
+        "@types/react-dom": "^18.2.8",
+        "molstar": "^3.40.1",
         "react": "^18.2.0",
         "react-dom": "^18.2.0",
         "rxjs": "^7.8.1",

src/viewer/index.ts

@@ -152,7 +152,8 @@ const DefaultLigandViewerProps = {
 
     ignoreHydrogens: true,
     showLabels: false,
-    shownCoordinateType: 'ideal' as const
+    shownCoordinateType: 'ideal' as const,
+    aromaticBonds: false, // stylize aromatic rings
 };
 export type LigandViewerProps = typeof DefaultLigandViewerProps & { canvas3d: PartialCanvas3DProps }
 
@@ -471,7 +472,8 @@ export class LigandViewer {
             }),
             ignoreHydrogens: o.ignoreHydrogens,
             showLabels: o.showLabels,
-            shownCoordinateType: o.shownCoordinateType
+            shownCoordinateType: o.shownCoordinateType,
+            aromaticBonds: o.aromaticBonds,
         };
 
         this._plugin.init()
@@ -514,7 +516,7 @@ export class LigandViewer {
     }
 
     private async load(p: LoadParams) {
-        await this.customState.modelLoader.load<any, any>(p, undefined, undefined, ChemicalCompontentTrajectoryHierarchyPreset, { shownCoordinateType: this.customState.shownCoordinateType });
+        await this.customState.modelLoader.load<any, any>(p, undefined, undefined, ChemicalCompontentTrajectoryHierarchyPreset, { shownCoordinateType: this.customState.shownCoordinateType, aromaticBonds: this.customState.aromaticBonds });
         await this.syncHydrogenState();
 
         for (const s of this._plugin.managers.structure.hierarchy.current.structures) {

src/viewer/types.ts

@@ -71,6 +71,7 @@ export interface LigandViewerState {
     ignoreHydrogens: boolean
     showLabels: boolean
     shownCoordinateType: 'ideal' | 'model' | 'both'
+    aromaticBonds: boolean
 
     modelLoader: ModelLoader