OEFPTypeParams

class OEFPTypeParams

This class represents OEFPTypeParams.

See also

• Fingerprint parameters section

Constructors

OEFPTypeParams(const std::string &typestr)

Constructor that parses the given string as a representation of a fingerprint and extracts the parameters that are used to generate the fingerprint.

See also

• OEFPTypeBase.GetFPTypeString method

OEFPTypeParams(const OEFPTypeBase *fptype)

Constructor that extracts the parameters that are used to generate the fingerprint type.

See also

• OEFPTypeBase class

GetAtomTypes

unsigned int GetAtomTypes() const

Returns

• the atom types extracted from the string for OEFPType.Path, OEFPType.Circular and OEFPType.Tree fingerprint types

• zero for OEFPType.Lingo and OEFPType.MACCS166 fingerprint types

The return value is taken from the OEFPAtomType namespace.

See also

• OEGetFPAtomType function

GetBondTypes

unsigned int GetBondTypes() const

Returns

• the bond types extracted from the string for OEFPType.Path, OEFPType.Circular and OEFPType.Tree fingerprint types

• zero for OEFPType.Lingo and OEFPType.MACCS166 fingerprint types

The return value is taken from the OEFPBondType namespace.

See also

• OEGetFPBondType function

GetFPType

unsigned int GetFPType() const

Returns the fingerprint type extracted from the string. The return value is taken from the OEFPType namespace.

GetMaxDistance

unsigned int GetMaxDistance() const

Returns:

• the size of the largest path fragments (in bonds), if the fingerprint type is OEFPType.Path

• the size of the largest circular fragments (in radius), if the fingerprint type is OEFPType.Circular

• the size of the largest tree fragments (in bonds), if the fingerprint type is OEFPType.Tree

• zero for OEFPType.Lingo and OEFPType.MACCS166 fingerprint types

GetMinDistance

unsigned int GetMinDistance() const

Returns:

• the size of the smallest path fragments (in bonds), if the fingerprint type is OEFPType.Path

• the size of the smallest circular fragments (in radius), if the fingerprint type is OEFPType.Circular

• the size of the smallest tree fragments (in bonds), if the fingerprint type is OEFPType.Tree

• zero for OEFPType.Lingo and OEFPType.MACCS166 fingerprint types

GetNumBits

unsigned int GetNumBits() const

Returns:

• the size of the fingerprint in bits for OEFPType.Path, OEFPType.Circular and OEFPType.Tree fingerprint types

• 166 for OEFPType.MACCS166 fingerprint type

• zero for OEFPType.Lingo fingerprint type

GetVersion

unsigned short GetVersion() const

Returns the version number.

See also

• OEGetFingerPrintVersionString function

IsValid

bool IsValid() const

Returns whether the string was valid from which the OEFPTypeParams object was initialized.