A class for accessing pharmacophore screening databases in the built-in optimized format. More...

Inheritance diagram for CDPL.Pharm.PSDScreeningDBAccessor:

Public Member Functions
None	__init__ ()
	Initializes the PSDScreeningDBAccessor instance.

None	__init__ (str name)
	Constructs a `ScreeningDBAccessor` instance that will read data from the database-file specified by name. More...

Public Member Functions inherited from CDPL.Pharm.ScreeningDBAccessor
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

None	open (str name)

None	close ()

str	getDatabaseName ()

int	getNumMolecules ()

int	getNumPharmacophores ()

int	getNumPharmacophores (int mol_idx)

None	getMolecule (int mol_idx, Chem.Molecule mol, bool overwrite=True)

None	getPharmacophore (int pharm_idx, Pharmacophore pharm, bool overwrite=True)

None	getPharmacophore (int mol_idx, int mol_conf_idx, Pharmacophore pharm, bool overwrite=True)

int	getMoleculeIndex (int pharm_idx)

int	getConformationIndex (int pharm_idx)

FeatureTypeHistogram	getFeatureCounts (int pharm_idx)

FeatureTypeHistogram	getFeatureCounts (int mol_idx, int mol_conf_idx)

Additional Inherited Members
Properties inherited from CDPL.Pharm.ScreeningDBAccessor
	objectID = property(getObjectID)

	databaseName = property(getDatabaseName)

	numMolecules = property(getNumMolecules)

	numPharmacophores = property(getNumPharmacophores)

Detailed Description

A class for accessing pharmacophore screening databases in the built-in optimized format.

Constructor & Destructor Documentation

None CDPL.Pharm.PSDScreeningDBAccessor.__init__ ( str name )

Constructs a ScreeningDBAccessor instance that will read data from the database-file specified by name.

Parameters

name	The name of the database-file.