Hi Andy,

for that to work with Python 3 you will need to replace sys.stdin with sys.stdin.buffer.

HTH, cheers
Paolo


On 03/27/19 18:32, Andy wrote:
Hi,

I have used the git version of rdkit for years (local build with python 2.7). The last update pushed me to use python3, and, in addition to the usual fixes, I noticed that ForwardSDMolSupplier does not work with sys.stdin anymore, i.e., the usual construct

fin = Chem.ForwardSDMolSupplier(sys.stdin)
for mol in fin:

gives
[11:59:54] Unexpected error hit on line 1
[11:59:54] ERROR: moving to the begining of the next molecule
TypeError: expected bytes, str found

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "test.py", line 7, in <module>
    for mol in fin:
SystemError: <Boost.Python.function object at 0x5605d65e0ac0> returned a result with an error set

The pre-built conda package (linux-64/rdkit-2018.09.2.0-py37hc20afe1_1.tar.bz2) shows the same behavior. I am using 64-bit Linux (Arch) system.

Thanks,
--Andy






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