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(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.