Re: [Rdkit-discuss] Using Chem.WrapLogs()

2017-09-11 Thread Greg Landrum
Yeah, please go ahead and fie a bug for the windows problems. No guarantees that we can fix it, but it's worth at least capturing the problem. -greg On Fri, Sep 8, 2017 at 4:50 PM, Noel O'Boyle wrote: > Thanks Maciek, > > Both of those solutions works on Linux, which is

Re: [Rdkit-discuss] Using Chem.WrapLogs()

2017-09-08 Thread Noel O'Boyle
Thanks Maciek, Both of those solutions works on Linux, which is fine for my purposes. Neither works on Windows (let me know if you want me to file a bug). Regards, - Noel On 8 September 2017 at 15:05, Maciek Wójcikowski wrote: > Hi Noel, > > sio.seek(0) before assert or

Re: [Rdkit-discuss] Using Chem.WrapLogs()

2017-09-08 Thread Maciek Wójcikowski
Hi Noel, sio.seek(0) before assert or sio.getvalue() instead read(). Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2017-09-08 15:51 GMT+02:00 Noel O'Boyle : > Hi all, > > I'd like to capture error messages during SMILES parsing, but am having

Re: [Rdkit-discuss] Using Chem.WrapLogs()

2017-09-08 Thread Andrew Dalke
On Sep 8, 2017, at 15:51, Noel O'Boyle wrote: > > Hi all, > > I'd like to capture error messages during SMILES parsing, but am having > trouble getting this to work. ... > assert sio.read() != "" That should be a sio.getvalue(). The read() starts from the current file

[Rdkit-discuss] Using Chem.WrapLogs()

2017-09-08 Thread Noel O'Boyle
Hi all, I'd like to capture error messages during SMILES parsing, but am having trouble getting this to work. The following code raises an AssertionError, for example. Is there something here I'm missing? I'm using this from a Windows 7 conda environment, Python 2.7 64-bit, RDKit 2017.03.3, but