fix probe tests broken by the stereochemistry template matching bug f…

…ix a while ago
donaldlab · Sep 28, 2019 · 26621c1 · 26621c1
1 parent b7a1ce7
commit 26621c1
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diff --git a/src/edu/duke/cs/osprey/structure/Residue.java b/src/edu/duke/cs/osprey/structure/Residue.java
@@ -506,6 +506,14 @@ public Atom getAtomByName(String name) {
         }
         return null;
     }
+
+    public Atom getAtomByNameOrThrow(String name) {
+		Atom atom = getAtomByName(name);
+		if (atom == null) {
+			throw new NoSuchElementException("no atom named " + name + " in residue " + getPDBResNumber());
+		}
+		return atom;
+	}
 
     public int getAtomIndexByName(String n){
         //index in atoms of atom with name n