moorhen 0.7.0 → 0.7.2

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "moorhen",
-  "version": "0.7.0",
+  "version": "0.7.2",
   "private": false,
   "main": "moorhen.js",
   "types": "./types/main.d.ts",

package/types/libcoot.d.ts

@@ -224,6 +224,10 @@ export namespace libcootApi {
         end: { x: number; y: number; z: number };
         dist: number;
     }
+    type DiffDiffMapPeaksJS = {
+        value: number; 
+        coord: { x: number; y: number; z: number };
+    }[]
     type RotamerInfoJS = {
         name: string;
         rank: number;
@@ -287,13 +291,15 @@ export namespace libcootApi {
         model_number: number;
         chain_id: string;
         res_no: number;
-        ins_code: string;    
+        ins_code: string;
+        int_user_data: number;
     }
     interface ResidueSpecJS {
         resNum: number;
         insCode: string;
         modelNumber: number;
         chainId: string;
+        intUserData: number;
     }
     interface AtomSpecT {
         chain_id: string;

package/types/main.d.ts

@@ -50,6 +50,7 @@ declare module 'moorhen' {
     class MoorhenMolecule implements _moorhen.Molecule {
         constructor(commandCentre: React.RefObject<_moorhen.CommandCentre>, glRef: React.RefObject<webGL.MGWebGL>, monomerLibrary: string)
         getNonSelectedCids(cid: string): string[];
+        getSecondaryStructInfo(modelNumber?: number): Promise<libcootApi.ResidueSpecJS[]>;
         parseCidIntoSelection(selectedCid: string): Promise<_moorhen.ResidueSelection>;
         animateRefine(n_cyc: number, n_iteration: number, final_n_cyc?: number): Promise<void>;
         refineResidueRange(chainId: string, start: number, stop: number, ncyc?: number, redraw?: boolean): Promise<void>;
@@ -228,6 +229,39 @@ declare module 'moorhen' {
     ): Promise<number>;
     module.exports = loadSessionData;
 
+    function setPositiveMapColours(arg0: {molNo: number, rgb: {r: number; g: number; b: number}}): any;
+    module.exports = setPositiveMapColours;
+    
+    function setNegativeMapColours(arg0: {molNo: number, rgb: {r: number; g: number; b: number}}): any;
+    module.exports = setNegativeMapColours;
+    
+    function setMapColours(arg0: {molNo: number, rgb: {r: number; g: number; b: number}}): any;
+    module.exports = setMapColours;
+
+    function setMapAlpha(arg0: {molNo: number, alpha: number}): any;
+    module.exports = setMapAlpha;
+
+    function showMap(arg0: {molNo: number, show: boolean}): any;
+    module.exports = showMap;
+
+    function hideMap(arg0: {molNo: number}): any;
+    module.exports = hideMap;
+
+    function setContourLevel(arg0: {molNo: number, level: number}): any;
+    module.exports = setContourLevel;
+
+    function showMolecule(arg0: {molNo: number, show: boolean}): any;
+    module.exports = showMolecule;
+
+    function hideMolecule(arg0: {molNo: number}): any;
+    module.exports = hideMolecule;
+    
+    function setMapStyle(arg0: {molNo: number, style: "lines" | "solid" | "lit-lines"}): any;
+    module.exports = setMapStyle;
+
+    function setMapRadius(arg0: {molNo: number, radius: number}): any;
+    module.exports = setMapRadius;
+
     function setDefaultBackgroundColor(arg0: [number, number, number, number]): any;
     module.exports = setDefaultBackgroundColor;
     

package/types/moorhen.d.ts

@@ -92,6 +92,7 @@ export namespace moorhen {
     type coorFormats = 'pdb' | 'mmcif';
     
     interface Molecule {
+        getSecondaryStructInfo(modelNumber?: number): Promise<libcootApi.ResidueSpecJS[]>;
         getNonSelectedCids(cid: string): string[];
         parseCidIntoSelection(selectedCid: string): Promise<ResidueSelection>;
         downloadAtoms(format?: 'mmcif' | 'pdb'): Promise<void>;
@@ -539,24 +540,12 @@ export namespace moorhen {
 
     type MapRadiusChangeEvent = CustomEvent<{ factor: number; }>
 
-    type ScoresUpdateEvent = CustomEvent<{
-        modifiedMolecule: number;
-    }>
-    
-    type ConnectMapsInfo = {
-        molecule: number;
-        maps: [number, number, number];
-        uniqueMaps: number[];
-    }
-
     type AtomClickedEvent = CustomEvent<{
         buffer: { id: string };
         atom: { label: string };
         isResidueSelection: boolean;
     }>
 
-    type ConnectMapsEvent = CustomEvent<ConnectMapsInfo>
-
     type NewMapContourEvent = CustomEvent<{
         molNo: number;
         mapRadius: number;
@@ -751,10 +740,6 @@ export namespace moorhen {
             maxBackupCount: number;
             modificationCountBackupThreshold: number;     
         };
-        updatingMapScoresSettings: {
-            defaultUpdatingScores: string[];
-            showScoresToast: boolean;
-        };
         shortcutSettings: {
             shortcutOnHoveredAtom: boolean;
             showShortcutToast: boolean;
@@ -834,6 +819,7 @@ export namespace moorhen {
             showUnmodelledBlobsModal: boolean;
             showMmrrccModal: boolean;
             showWaterValidationModal: boolean;
+            showSceneSettingsModal: boolean;
             focusHierarchy: string[];
         };
         mapContourSettings: {
@@ -853,6 +839,17 @@ export namespace moorhen {
         moleculeRepresentations: {
             visibleMolecules: number[];
         };
+        connectedMaps: {
+            updatingMapsIsEnabled: boolean;
+            connectedMolecule: number;
+            reflectionMap: number;
+            twoFoFcMap: number;
+            foFcMap: number;
+            uniqueMaps: number[];
+            defaultUpdatingScores: string[];
+            showScoresToast: boolean;
+            scoresUpdate: {toggle: boolean, molNo: number};
+        };
     }
     
     type actionButtonSettings = {