OEMMFFTypeResult

class OEMMFFTypeResult

Used by the OEMMFFAtomType function to retrieve the MMFF94 type of an atom.

The following table describes how the result should be interpreted:

GetMMFFType() GetFailed() interpretation
OEMMFFType.UNK true MMFF atom type can not be identified
not OEMMFFType.UNK true an alternative MMFF atom type is identified
not OEMMFFType.UNK false MMFF atom type is identified successfully

Constructors

OEMMFFTypeResult(unsigned int type, bool failed)

Constructor

GetFailed

bool GetFailed() const

Returns whether MMFF94 type can be assigned to an atom.

GetMMFFType

unsigned int GetMMFFType() const

Returns MMFF94 type from the OEMMFFType namespace.