Closed jvermaas closed 3 years ago
sigh apparently this pull was too quick. The stuff in Molecule.py
is still complaining. In this case a type check won't let an atomsel object be none, which is what Molecule.save
was doing.
Now its fixed.
LGTM. Sorry this took me so long to merge.
As it stands right now, calling
Molecule.write
fails, because the underlying molecule.write call doesn't match the spec, since somewhere along the way the underlyingmolecule.write
lost the waitfor parameter. This adds it back, but does not change the default behavior (write everything before returning).