Configuration parametersΒΆ

The RDKit PostgreSQL cartridge defines a set of configuration parameters fine-tuning some of the implemented functions. From the SQL interface these parameters can be manipulated using set and show statements:

my_database=# set rdkit.do_chiral_sss=true;

but in the django_rdkit package they are also exposed as attributes of a config object:

In [43]: from django_rdkit.config import config

so that their values can be set and queried without leaving the python domain:

In [44]: config.do_chiral_sss = True

In [45]: print(config.tanimoto_threshold)

As you may notice from the examples, the main difference compared to the RDKit cartridge should consist in a minor change in the naming convention. The cartridge defines these parameters with a name starting with an rdkit. prefix. In naming the corresponding attributes of the config object this prefix is dropped.