Hello again,
I've fixed the issue here: https://github.com/openbabel/openbabel/pull/52
----
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2013/12/12 Maciek Wójcikowski <mac...@wojcikowski.pl>
> I think, I've pin-pointed the issue in the source - OBConversion class.
> The first and last molecule is set by SetStartAndEnd method. It's being
> called only by Convert method, not by Read nor ReadFile, hence the binding
> dont use -f and -l. I figure if i't called SetStartAndEnd in Read or
> ReadFile, then it should work. Unfortunately I struggle to find the spot.
> Tried to add it to ReadFile, but it does not work.
>
> Any better ideas?
>
> ----
> Pozdrawiam, | Best regards,
> Maciek Wójcikowski
> mac...@wojcikowski.pl
>
>
> 2013/12/5 Geoffrey Hutchison <geoff.hutchi...@gmail.com>
>
>> This only proves, that I really want to use it. Is the proof.py script
>> working correctly for anybody (attached in previous mail)? It should ouptut
>> molecules no. 5-10 out of 100 in proof.sdf
>>
>>
>> No, it doesn't work.
>>
>> % python proof.py | wc
>> 100 100 1300
>>
>> Hmm. Chris, any idea why this wouldn't work from Python?
>>
>> obconversion = OBConversion()
>> obconversion.SetInFormat("sdf")
>> obconversion.AddOption('f', obconversion.GENOPTIONS, "5")
>> obconversion.AddOption('l', obconversion.GENOPTIONS, "10")
>> obmol = OBMol()
>>
>> notatend = obconversion.ReadFile(obmol,"proof.sdf")
>> while notatend:
>> print obmol.GetTitle()
>> obmol = OBMol()
>> notatend = obconversion.Read(obmol)
>>
>>
>>
>
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