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)
0.5
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.