rdkit.Chem.MolDb.Loader_sa module

class rdkit.Chem.MolDb.Loader_sa.Compound(**kwargs)

Bases: Base

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

guid

molpkl

rdkit.Chem.MolDb.Loader_sa.ConnectToSchema(dbUrl, echo=False)

rdkit.Chem.MolDb.Loader_sa.LoadDb(suppl, dbName, nameProp='_Name', nameCol='compound_id', silent=False, redraw=False, errorsTo=None, keepHs=False, defaultVal='N/A', skipProps=False, regName='molecules', skipSmiles=False, maxRowsCached=-1, uniqNames=False, addComputedProps=False, lazySupplier=False, numForPropScan=10, startAnew=True)

rdkit.Chem.MolDb.Loader_sa.ProcessMol(session, mol, globalProps, nDone, nameProp='_Name', nameCol='compound_id', redraw=False, keepHs=False, skipProps=False, addComputedProps=False, skipSmiles=False)

rdkit.Chem.MolDb.Loader_sa.RegisterSchema(dbUrl, echo=False)