OEFingerPrint¶

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:

Constructors¶

OEFingerPrint()


Default constructor that creates an OEFingerPrint object with an uninitialized type, zero pointer (OEFPTypeBase).

OEFingerPrint(const OEFingerPrint &rhs)


Copy constructor.

operator=¶

OEFingerPrint &operator=(const OEFingerPrint &rhs)


Assignment operator that copies the data of the rhs OEFingerPrint object into the left-hand side OEFingerPrint object.

operator==¶

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).

operator!=¶

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).

operator bool¶

bool IsValid()


Returns whether the OEFingerPrint has been initialized, i.e., has a valid type.

GetFPTypeBase¶

const OEFPTypeBase *GetFPTypeBase() const


Returns a const pointer to the fingerprint type (OEFPTypeBase) of the OEFingerPrint object. This method will return 0 if the OEFingerPrint object has not been initialized.

SetFPTypeBase¶

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:

Warning

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.