Noel O'Boyle

FYI, the rule on API breakage has been relaxed for the next release, with the idea of tidying up the current API and fixing long standing issues.

Sounds good but I can't review this patch, as it mixes whitespace changes with code changes. If you keep these in separate commits, then we see what's changed at each...

Some of these commits involve syntax changes that change code that is working fine now into code that may only be supported by newer compilers. I'm not familiar enough with...

It doesn't. As a general rule, please don't pose the same question in multiple places. We are all stretched and all you need is one correct answer. The best place...

You misunderstand. OB is not adding (or removing) anything. That MOL file represents methane; you have three explicit hydrogens and one implicit. It's more common to have either all explicit...

The problem with xyz is that we have to guess which atoms are connected and their bond orders. Okay for methane, but maybe not so for others. If you have...

I've said it before but we should be working to remove all uses of random numbers in the library.

OBAtomAtomIter. Iterator over the atoms of an OBAtom. On Thu, 14 Oct 2021, 22:20 Henrique Musseli Cezar, ***@***.***> wrote: > Hello, it definitely has been a while. > > I...

I agree (after some thought). The deepsmiles syntax doesn't allow arbitary linkages between atoms even in the normal case - it only allows linkages to atoms that preceded it in...

Currently, the closure value of 6 indicates a six-membered ring. I think that a stronger argument would need to be made to give up this nice feature.