Added features for aggregated ligand interaction view and interactivity with heat map

src/component/component.js

@@ -13,6 +13,7 @@ class pdbLigandEnv extends LitElement {
       entityId: { type: String, attribute: 'entity-id' },
       resName: { type: String, attribute: 'pdb-res-name' },
       resId: { type: Number, attribute: 'pdb-res-id' },
+      contactType: {type: String, attribute: 'contact-type'},
       chainId: { type: String, attribute: 'pdb-chain-id' },
       substructureHighlight: { type: Array, attribute: 'substructure' },
       substructureColor: { type: String, attribute: 'color' },
@@ -47,12 +48,22 @@ class pdbLigandEnv extends LitElement {
         this.display.initLigandInteractions(this.pdbId, this.resId, this.chainId);
       }
     }
-    else if (this.resName) {
-      this.display.initLigandDisplay(this.resName, names).then(() => this.display.centerScene());
+    else if (this.resName){
+      this.display.initLigandDisplay(this.resName, names).then(() => {
+        if (this.contactType){
+          if(this.display.atomWeights === undefined){
+            this.display.initLigandWeights(this.resName).then(() => {
+              this.display.showWeights(this.contactType);
+            })
+          }
+          else {
+            this.display.showWeights(this.contactType);
+          }
+        }
+      })
     }
   }
 
-
   //#region properties
   set depiction(data) {
     if (!data) return;
@@ -61,6 +72,10 @@ class pdbLigandEnv extends LitElement {
     this.display.centerScene();
   }
 
+  set atomWeights(contactType) {
+    this.display.showWeights(contactType);
+  }
+
   set highlightSubstructure(data) {
     if (!data || !this.display) {
       console.log(`Argument needs to be a non empty array of strings.`);
@@ -78,12 +93,6 @@ class pdbLigandEnv extends LitElement {
     this.display.addLigandHighlight(this.substructureHighlight, this.highlightColor);
   }
 
-  set contourData(data) {
-    if (!data || !this.display || !this.display.depiction !== undefined) return;
-
-    this.display.addContours(data);
-  }
-
   set zoom(data) {
     if (this.display !== undefined) this.display.toggleZoom(data);
   }
@@ -104,4 +113,4 @@ class pdbLigandEnv extends LitElement {
 
 }
 // Register the new element with the browser.
-customElements.define('pdb-ligand-env', pdbLigandEnv);
\ No newline at end of file
+customElements.define('pdb-ligand-env', pdbLigandEnv);