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=¶

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.

`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`