Update CDK_Descriptor.java

change line 101 setMolecule to setAtomContainer
cdk · Oct 4, 2024 · 2387fc3 · 2387fc3
1 parent 32a7a06
commit 2387fc3
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/libPaDEL-Descriptor/src/libpadeldescriptor/CDK_Descriptor.java b/libPaDEL-Descriptor/src/libpadeldescriptor/CDK_Descriptor.java
@@ -98,7 +98,7 @@ public String[] getDescriptorValues()
      * 
      * @param molecule Molecule for calculating descriptors.
      */
-    public void setMolecule(IAtomContainer molecule) 
+    public void setAtomContainer(IAtomContainer molecule) 
     {
         this.molecule_ = molecule;
         initDescriptorsValues();