OEBroodQuery

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

class OEBroodQuery

This class defines objects that represent a Brood query.

The OEBroodQuery class defines the following public methods:

Constructors

OEBroodQuery()
OEBroodQuery(const OEBroodQuery &)

Default and copy constructors.

operator=

OEBroodQuery &operator=(const OEBroodQuery &)

Assignment operator.

GetAttachCount

unsigned GetAttachCount() const

Returns the number of attachment points in the query fragment.

GetHeavyCount

unsigned GetHeavyCount() const

Returns the number of heavy atoms in the query fragment.

HasProtein

bool HasProtein() const

Returns true if the query contains an associated protein.

Init

unsigned Init(const OEChem::OEMCMolBase &queryMol)

Initializes the query from contents in the specified query molecule. A query molecule is an OEMol containing a set of specific data tags. The method returns OEBroodStatusCode_Success if the initialization is successful, otherwise it returns an error code from the OEBroodStatusCode namespace.