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¶
IsValid() -> bool
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.