From ddc13c5be7236ce86697f8ec79db862dd905a7af Mon Sep 17 00:00:00 2001
From: korffmo <modest@von-korff.net>
Date: Fri, 26 Jan 2024 15:15:11 +0100
Subject: [PATCH] introduced empty PPNode node

---
 .../research/chem/descriptor/flexophore/MolDistHist.java    | 2 +-
 .../chem/descriptor/flexophore/MolDistHistHelper.java       | 2 --
 .../research/chem/descriptor/flexophore/PPNode.java         | 6 +++++-
 3 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHist.java b/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHist.java
index 3ebb449f..6350d58c 100644
--- a/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHist.java
+++ b/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHist.java
@@ -505,7 +505,7 @@ public static List<PPNode> readNodes(String strMolDistHist){
 	}
 	public static MolDistHist readNodes2MDH(String strMolDistHist){
 
-		List<PPNode> liPPNode = readNodes( strMolDistHist);
+		List<PPNode> liPPNode = readNodes(strMolDistHist);
 		int size = liPPNode.size();
 		MolDistHist mdh = new MolDistHist(size);
 		for (PPNode ppNode : liPPNode) {
diff --git a/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistHelper.java b/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistHelper.java
index a56d098c..e8b980e5 100644
--- a/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistHelper.java
+++ b/src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistHelper.java
@@ -85,8 +85,6 @@ public static MolDistHist assembleNoDistHist (MolDistHist ... arr){
                 mdh.addNode(arr[i].getNode(j));
             }
         }
-
-
         return mdh;
     }
     public static boolean isZero(byte [] b){
diff --git a/src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java b/src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java
index 4d463fd8..8c703aab 100644
--- a/src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java
+++ b/src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java
@@ -613,10 +613,14 @@ public String toStringLongHardPPPoint(){
 	/**
 	 *
 	 * @param strNode i.e. 262,392,4358*2,8582,590088,598407
-	 * @return
+	 * @return the node with the atom types. If an empty string is given a node without atom types is returned.
 	 */
 	public static PPNode read(String strNode) {
 
+		if(strNode.length()==0){
+			return new PPNode();
+		}
+
 		String [] arr = strNode.split(SEPARATOR_ATOMS);
 
 		PPNode n = new PPNode();