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(type: int, failed: bool) -> OEMMFFTypeResult
OEMMFFTypeResult(rhs: OEMMFFTypeResult) -> OEMMFFTypeResult

Constructor

GetFailed

GetFailed() -> bool

Returns whether MMFF94 type can be assigned to an atom.

GetMMFFType

GetMMFFType() -> int

Returns MMFF94 type from the OEMMFFType namespace.