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.