On Fri, May 25, 2012 at 2:20 AM, Noel O'Boyle wrote:
> It takes under 2 minutes to run the tests before committing...hint hint :-)
>
> Commit by cjames53 :: r4763
> /openbabel/trunk/src/formats/smilesformat.cpp: (link)
> - Causes graphsym and tautomer tests to fail.
>
Now I've checked the tautom
On Fri, May 25, 2012 at 2:20 AM, Noel O'Boyle wrote:
> It takes under 2 minutes to run the tests before committing...hint hint :-)
>
> Commit by cjames53 :: r4763
> /openbabel/trunk/src/formats/smilesformat.cpp: (link)
> - Causes graphsym and tautomer tests to fail.
>
It's the graphsym test itse
Hi Noel,
On Fri, May 25, 2012 at 2:20 AM, Noel O'Boyle wrote:
> It takes under 2 minutes to run the tests before committing...hint hint :-)
>
> Commit by cjames53 :: r4763
> /openbabel/trunk/src/formats/smilesformat.cpp: (link)
> - Causes graphsym and tautomer tests to fail.
>
Sorry about that
It takes under 2 minutes to run the tests before committing...hint hint :-)
Commit by cjames53 :: r4763
/openbabel/trunk/src/formats/smilesformat.cpp: (link)
- Causes graphsym and tautomer tests to fail.
Commit by chrismorl :: r4766 /openbabel/trunk/src/typer.cpp: (link)
- Causes implicitH and ph
On 24/05/2012 23:56, Craig James wrote:
> If I'm not mistaken, these two SMILES should represent the same
> molecule, but OB thinks they're different:
>
> c1n1
> c1[n]1
>
> According to the SMILES spec, putting the nitrogen in brackets only says
> that its charge is zero and H-count
