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.

Constructors

OEFingerPrint()

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

OEFingerPrint(const OEFingerPrint& rhs)

Copy constructor.

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.

`operator<`	`FirstBit`	`PrevBit`
`operator=`	`FromHexString`	`SetBitOff`
`operator-=`	`GetData`	`SetBitOn`
`operator[]`	`GetSize`	`SetData`
`operator^=`	`IsBitOn`	`SetRangeOff`
`operator\|=`	`IsEmpty`	`SetRangeOn`
`operator &=`	`LastBit`	`SetSize`
`ClearBits`	`NegateBits`	`ToHexString`
`CountBits`	`NextBit`	`ToggleBit`