moorhen 0.6.2 → 0.6.4

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "moorhen",
-  "version": "0.6.2",
+  "version": "0.6.4",
   "private": false,
   "main": "moorhen.js",
   "types": "./types/main.d.ts",
@@ -112,6 +112,7 @@
     "@mui/icons-material": "^5.10.9",
     "@mui/lab": "^5.0.0-alpha.140",
     "@mui/material": "^5.10.10",
+    "@mui/x-tree-view": "^6.17.0",
     "@reduxjs/toolkit": "^1.9.7",
     "@testing-library/jest-dom": "^5.16.4",
     "@testing-library/react": "^13.2.0",

package/types/main.d.ts

@@ -9,6 +9,9 @@ declare module 'moorhen' {
     let MoorhenContainer: any;
     module.exports = MoorhenContainer;
 
+    let ErrorBoundary: any;
+    module.exports = ErrorBoundary;
+
     let MoorhenDraggableModalBase: any;
     module.exports = MoorhenDraggableModalBase;
 
@@ -186,7 +189,7 @@ declare module 'moorhen' {
         mapRadius: number;
         mapColour: [number, number, number, number];
         webMGContour: boolean;
-        cootContour: boolean;
+        isVisible: boolean;
         displayObjects: any;
         litLines: boolean;
         solid: boolean;

package/types/moorhen.d.ts

@@ -28,6 +28,7 @@ export namespace moorhen {
         resNum: string;
         modelName: string;
         cid: string;
+        svg?: string;
     }
     
     type Sequence = {
@@ -189,7 +190,8 @@ export namespace moorhen {
 
     type RepresentationStyles = 'VdwSpheres' | 'ligands' | 'CAs' | 'CBs' | 'CDs' | 'gaussian' | 'allHBonds' | 'rama' | 
     'rotamer' | 'CRs' | 'MolecularSurface' | 'DishyBases' | 'VdWSurface' | 'Calpha' | 'unitCell' | 'hover' | 'environment' | 
-    'ligand_environment' | 'contact_dots' | 'chemical_features' | 'ligand_validation' | 'glycoBlocks' | 'restraints' | 'residueSelection'
+    'ligand_environment' | 'contact_dots' | 'chemical_features' | 'ligand_validation' | 'glycoBlocks' | 'restraints' | 
+    'residueSelection' | 'MetaBalls'
 
     interface MoleculeRepresentation {
         setApplyColourToNonCarbonAtoms(newVal: boolean): void;
@@ -230,7 +232,8 @@ export namespace moorhen {
         molecule: null | moorhen.Molecule;
         first: null | string;
         second: null | string;
-        cid: null | string;
+        cid: null | string | string[];
+        isMultiCid: boolean;
     }
     
     type HoveredAtom = {
@@ -388,7 +391,7 @@ export namespace moorhen {
         mapRadius: number;
         mapColour: [number, number, number, number];
         webMGContour: boolean;
-        cootContour: boolean;
+        isVisible: boolean;
         displayObjects: any;
         litLines: boolean;
         solid: boolean;
@@ -413,6 +416,7 @@ export namespace moorhen {
         label?: string;
         dateTime: string;
         type: string;
+        serNo: string | number;
         molNames: string[];
         mapNames?: string[];
         mtzNames?: string[];
@@ -435,7 +439,7 @@ export namespace moorhen {
         uniqueId: string;
         mapData: Uint8Array;
         reflectionData: Uint8Array;
-        cootContour: boolean;
+        isVisible: boolean;
         contourLevel: number;
         radius: number;
         colour: [number, number, number, number];
@@ -520,7 +524,6 @@ export namespace moorhen {
     type MapRadiusChangeEvent = CustomEvent<{ factor: number; }>
 
     type ScoresUpdateEvent = CustomEvent<{
-        origin: [number, number, number];
         modifiedMolecule: number;
     }>
     
@@ -541,7 +544,7 @@ export namespace moorhen {
     type NewMapContourEvent = CustomEvent<{
         molNo: number;
         mapRadius: number;
-        cootContour: boolean;
+        isVisible: boolean;
         contourLevel: number;
         mapColour: [number, number, number, number],
         litLines: boolean;
@@ -721,12 +724,6 @@ export namespace moorhen {
     interface State {
         molecules: Molecule[];
         maps: Map[];
-        canvasStates: {
-            backgroundColor: [number, number, number, number];
-            height: number;
-            width: number;
-            isDark: boolean
-        };
         mapSettings: {
             defaultMapSamplingRate: number;
             defaultMapLitLines: boolean;
@@ -779,7 +776,11 @@ export namespace moorhen {
             doSpinTest: boolean;
             defaultBondSmoothness: number,
             resetClippingFogging: boolean; 
-            clipCap: boolean; 
+            clipCap: boolean;
+            backgroundColor: [number, number, number, number];
+            height: number;
+            width: number;
+            isDark: boolean;
         };
         miscAppSettings: {
             defaultExpandDisplayCards: boolean; 
@@ -795,6 +796,9 @@ export namespace moorhen {
             activeMap: Map;
             theme: string;
             residueSelection: ResidueSelection;
+            isChangingRotamers: boolean;
+            isDraggingAtoms: boolean;
+            isRotatingAtoms: boolean;
         };
         hoveringStates: {
             enableAtomHovering: boolean;