Re: [OpenBabel-Devel] Race conditions

2017-02-12 Thread Noel O'Boyle
...googling through the mailing list, I see that David Lonie mentions that OBErrorLog has problems, and Tim that all formats are singletons. I need to think some more about this latter. - Noel On 12 February 2017 at 16:45, Noel O'Boyle wrote: > Classes or variables with a

Re: [OpenBabel-Devel] Race conditions

2017-02-12 Thread Noel O'Boyle
Classes or variables with a global instance are susceptible to multithreading problems. It turns out that these are listed in the Python bindings. Classes: OBElementTable, OBTypeTable, OBIsotopeTable, OBAromaticTyper, OBAtomTyper, OBChainsParser, OBResidueData, OBPhModel, OBErrorLog Variables:

Re: [OpenBabel-Devel] Replacement of aromatic.txt SMARTS patterns with switch statement

2017-02-12 Thread Noel O'Boyle
Would it be okay to do that as part of a separate pull request? i.e. if there are no other concerns, could you merge it as is. The easiest way to do the pruning is to comment out relevant code one at a time, and seeing whether the results change (for the worse). This will take some time, but it