Dear All,
I have a question regarding rdmolops.FindAllPathsOfLengthN - if I use a
pyrazole as input,
m1 = Chem.MolFromSmiles('[nH]1cccn1')
and then try to get all paths of length 5
for p in rdmolops.FindAllPathsOfLengthN(m1, 5):
print [i for i in p]
I only get back one path
[0, 1, 2, 3, 4]
I would have expected that you would also get
[1,2,3,4,0]
[2,3,4,0,1]
[3,4,0,1,2]
[4,0,1,2,3]
have I misunderstood what this method does - or is this an 'unwanted feature'?
Best wishes,
Richard
ps Greg - this is a compound from the Gobbi Atom-Atom-Path similarity paper ;)
This email and any attachments thereto may contain private, confidential, and
privileged material for the sole use of the intended recipient. Any review,
copying or distribution of this email (or any attachments thereto) by others is
strictly prohibited. If you are not the intended recipient, please delete the
original and any copies of this email and any attachments thereto and notify
the sender immediately.
------------------------------------------------------------------------------
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are
consuming the most bandwidth. Provides multi-vendor support for NetFlow,
J-Flow, sFlow and other flows. Make informed decisions using capacity planning
reports.http://sdm.link/zohodev2dev
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
