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 |
|---|---|---|
true |
MMFF atom type can not be identified |
|
not |
true |
an alternative MMFF atom type is identified |
not |
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.