OEFPTypeParams¶

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.

OEFPTypeParams(const OEFPTypeBase *fptype)

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

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.

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.

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.

IsValid¶

bool IsValid() const

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