Re: [OpenBabel-Devel] Disabled chirality in SMARTS?

2013-08-07 Thread Noel O'Boyle
I found the change (rather easily in the end - it's the last commit to parsmart.h). The magic phrase "Potential ABI/API change" prevented it being merged to the release branch. Revision: a439d0fc1350a1c50e970f2467a0e837ec80a181 Author: Noel O'Boyle Date: 10/11/2011 09:20:42 Message: Potential ABI

Re: [OpenBabel-Devel] Disabled chirality in SMARTS?

2013-08-07 Thread Noel O'Boyle
Not everything was merged to the OB 2.3.2 release branch if it fiddled with the API. I have a feeling that this was the case here, but I'd have to go back and doublecheck. Without checking, I think that the underlying cause is that the SMARTS internals are exposed in the API (by accident or whateve

[OpenBabel-Devel] Disabled chirality in SMARTS?

2013-08-07 Thread Craig James
Does anybody remember disabling chirality features for SMARTS matching somewhere around version 2.3.2? I have a vague memory that using '@' for a tetrahedral center was just broken and gave wrong answers prior to Tim's work, so it was disabled and SMARTS were matched as though they had no chiral m

Re: [OpenBabel-Devel] MSVC, no prebuilt binaries and inttypes.h

2013-08-07 Thread Noel O'Boyle
The current HEAD compiles fine for me with MSVC 2012. I'm not sure what the problem is. - Noel On 30 July 2013 18:35, Marcus D. Hanwell wrote: > Just to confirm that this works if backported to d6c04d1, but we are > seeing linking issues with Open Babel in Visual Studio 2010 on top of > master,