class OEFingerPrint : public OESystem::OEBitVector
OEFingerPrint class is used to encode molecular properties. An OEFingerPrint object is a typed bitvector (OEBitVector). The type of an OEFingerPrint object is set when it is initialized.
The following methods are publicly inherited from OEBitVector:
Default constructor that creates an OEFingerPrint object with an uninitialized type, zero pointer (OEFPTypeBase).
OEFingerPrint(const OEFingerPrint &rhs)
OEFingerPrint &operator=(const OEFingerPrint &rhs)
Assignment operator that copies the data of the
OEFingerPrint object into the left-hand side
bool operator==(const OEFingerPrint& rhs) const
Two OEFingerPrint objects are considered to be equivalent only if they have the same fingerprint type (OEFPTypeBase) and have identical bit-vectors (OEBitVector).
bool operator!=(const OEFingerPrint& rhs) const
Two OEFingerPrint objects are considered to be different if either they have different fingerprint types (OEFPTypeBase) or they have different bit-vectors (OEBitVector).
Returns whether the OEFingerPrint has been initialized, i.e., has a valid type.
const OEFPTypeBase *GetFPTypeBase() const
Returns a const pointer to the fingerprint type
(OEFPTypeBase) of the
This method will return
0 if the
OEFingerPrint object has not been
void SetFPTypeBase(const OEFPTypeBase *t)
Sets the fingerprint type of a OEFingerPrint object.
The following functions set the type of the fingerprint when an OEFingerPrint object is initialized:
Use this method with caution.
The type of a OEFingerPrint object (that is an OEFPTypeBase) encodes how the fingerprint is generated. Changing this type can mean that the information represented by bitvector of the fingerprint will be misinterpreted.