Re: [OpenBabel-Devel] types.txt

2013-04-26 Thread Noel O'Boyle
It's always good to link changes in the code to specific bugs that need fixing. It may be useful to see whether you identify such cases here before you spend time on this. If you decide to go ahead, I would suggest that you add some test cases to ensure that existing correct behaviour is retained.

Re: [OpenBabel-Devel] types.txt

2013-04-26 Thread David van der Spoel
On 2013-04-26 11:17, Noel O'Boyle wrote: It's always good to link changes in the code to specific bugs that need fixing. It may be useful to see whether you identify such cases here before you spend time on this. If you decide to go ahead, I would suggest that you add some test cases to ensure

Re: [OpenBabel-Devel] types.txt

2013-04-26 Thread Noel O'Boyle
I guess I spoke without thinking. What I'm getting at is that it would be nice to see test cases to verify that everything's working as it said before and after. Next time I'll just come out and say it :-) - Noel On 26 April 2013 10:37, David van der Spoel sp...@xray.bmc.uu.se wrote: On