Hi David,
The data file _should_ be being used as long as openbabel can find it. The hardcoded values in the C++ source code are
there as a fallback when the data files can't be found.
I recently had a pull request merged that updates the C++ versions to match the data files (previously they
Hi,
is anyone working on bondtyper.cpp? Apparently, the data file
bondtyp.txt is not used at all and the information about bonding is
hardcoded in the C++ source code. I would be happy to help, but before
spending considerable effort it would be good to know if there is a plan
for this part of
