[OpenBabel-Devel] obabel -h -- bug while adding hydrogens?

[David L. <dav...@ki...>]

There seems to a bug when adding hydrogens to a molecule with only a single
atom:

$ cat /tmp/t.cml
<?xml version="1.0"?>
<molecule xmlns="http://www.xml-cml.org/schema">
 <atomArray>
  <atom id="a1" elementType="C" x3="0.386206" y3="1.895920" z3="-0.000004"/>
 </atomArray>
</molecule>

$ obabel -icml /tmp/t.cml -ocml -h
<?xml version="1.0"?>
<molecule spinMultiplicity="5" xmlns="http://www.xml-cml.org/schema">
 <atomArray>
  <atom id="a1" elementType="C" spinMultiplicity="5" x3="0.386206"
y3="1.895920" z3="-0.000004"/>
 </atomArray>
</molecule>
1 molecule converted

It works fine if there are 2 carbons. This is with today's trunk.

Should I file a bug, or is this expected behavior for some reason?

Dave