From 2387fc3981a8df1c5226607b802c68cb69de8255 Mon Sep 17 00:00:00 2001
From: RvdPloeg <rene.vanderploeg@hu.nl>
Date: Fri, 4 Oct 2024 11:06:31 +0200
Subject: [PATCH] Update CDK_Descriptor.java

change line 101 setMolecule to setAtomContainer
---
 libPaDEL-Descriptor/src/libpadeldescriptor/CDK_Descriptor.java | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/libPaDEL-Descriptor/src/libpadeldescriptor/CDK_Descriptor.java b/libPaDEL-Descriptor/src/libpadeldescriptor/CDK_Descriptor.java
index 59a06c6..8b31248 100644
--- 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();