Model field reference¶
A few custom model fields are provided, mapping to the chemical data types defined by the RDKit cartridge.
When fetched form the database, the python type of the model data attributes will match the corresponding RDKit class types, but for some fields additional data types may be used in assignment. For example, the value attributed to a MolField
will be a Mol
instance, and the value attributed to a ChemicalReaction
will be a ChemicalReaction
instance, but the values for these fields may be also assigned using a SMILES representation.
In trasferring data to and from the database, a binary representation is used for the fields supporting it.
Field types¶
MolField
¶
-
class
django_rdkit.models.
MolField
(**options)¶
A field representing an RDKit molecule. It may be assigned using a Mol
instance or with a SMILES string. Molecules values can be also created using one of the database functions implemented by the RDKit cartridge.
RxnField
¶
-
class
django_rdkit.models.
RxnField
(**options)¶
A field storing a ChemicalReaction
instance. It is assigned and returned from the database as a SMILES reactions string.