OEGetXLogPResult function to return
the computed XLogP and result status.
OEXLogPResult(bool valid, float value)
Constructor. Since this class is mainly used to return values and
status from the
OEGetXLogPResult function, this
is generally not used.
bool IsValid() const
Returns whether the computed value is valid for the molecule. The main reason that the computation fails is that the molecule has one or more atoms that are not parameterized.
float GetType() const
Returns the computed XLogP value.