OEConfigureFingerPrint

bool OEConfigureFingerPrint(OESystem::OEInterface &itf,
                            const OEFPTypeBase *deffptype)

Configures the given interface to add the following parameters for user-defined fingerprint type:

fingerprint options
 -atomtype : Fingerprint atom type
 -bondtype : Fingerprint bond type
 -fptype : Fingerprint type
 -maxdistance : Maximum number of bonds/radius in path/circular/tree
                fingerprint
 -mindistance : Minimum number of bonds/radius in path/circular/tree
                fingerprint
 -numbits : Size of bitvector

itf

The interface being configured.

deffptype

The default fingerprint type.

See also

• OEInterface class in the OEChem TK manual

• OEFPTypeBase class

• OESetupFingerPrint function

• Example code in Generating fingerprint file for fast fingerprint search section

• Example code in Building and searching fingerprint database section