Re: [OpenBabel-Devel] Release 3.0

2018-01-12 Thread Geoffrey Hutchison
> I’m mostly just grumpy because these changes broke my build. Have you > considered going through a deprecated phase? While I appreciate the grumpiness, you don't have to break a build - the "master" branch is naturally going to have changes. I'd like to think Noel (and I) were pretty clear

Re: [OpenBabel-Devel] Release 3.0

2018-01-12 Thread Noel O'Boyle
Hi David, I'd love to have the time to do everything perfectly. Yes, we should have a deprecation phase, with compiler warnings, and messages generated by the bindings. But eventually, the changes will still break the build. What we do need are migration docs at the least. Regards, - Noel On 12

Re: [OpenBabel-Devel] Release 3.0

2018-01-12 Thread Koes, David
Hi Noel, I’m mostly just grumpy because these changes broke my build. Have you considered going through a deprecated phase? From your email, I thought you were saying you added an IsElement method to OBAtom, but this doesn’t seem to be the case. Something like: OBAtom.IsElement(OBElement::Hydr

Re: [OpenBabel-Devel] Release 3.0

2018-01-12 Thread Noel O'Boyle
Hi David, We don't break backwards compatability lightly. The last time was 12 years ago. In that time, there has been some accumulation of cruft, and in addition there are some necessary changes in order to fix underlying problems. Regarding the specific functions you mention, the IsElement() fu