fixed remove hydrogens bug

asad · Jun 21, 2016 · b12511b · b12511b
1 parent 0be45dc
commit b12511b
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/core/src/main/java/org/openscience/smsd/tools/ExtAtomContainerManipulator.java b/core/src/main/java/org/openscience/smsd/tools/ExtAtomContainerManipulator.java
@@ -339,7 +339,6 @@ public static int getHydrogenCount(IAtomContainer atomContainer, IAtom atom) {
      */
     public static IAtomContainer convertExplicitToImplicitHydrogens(IAtomContainer atomContainer) {
         IAtomContainer mol = atomContainer.getBuilder().newInstance(IAtomContainer.class, atomContainer);
-        setNullHCountToZero(mol);
         if (mol.getAtomCount() > 1) {
             mol = removeHydrogensExceptSingleAndPreserveAtomID(mol);
         } else if (mol.getAtomCount() == 1 && !atomContainer.atoms().iterator().next().getSymbol().equalsIgnoreCase("H")) {