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RateConstantRRKM Class Reference
Inheritance diagram for RateConstantRRKM:
RateConstantNVT

Public Member Functions

 RateConstantRRKM (String kineticLevel, UnimolecularReaction reaction) throws CancelException, runTimeException, IllegalDataException
 
 RateConstantRRKM (ActionOnFileRead read, UnimolecularReaction reaction) throws IOException,IllegalDataException
 
RateConstantNVE[] getRateConstantNVESet ()
 
void computeRateConstantNVESet () throws runTimeException, IllegalDataException
 
void computeValue (Temperature temp) throws runTimeException, IllegalDataException
 
void computeValue (Pressure press) throws runTimeException, IllegalDataException
 
void computeValue (double T, double P) throws runTimeException, IllegalDataException
 
DeactivationRateConstant getDeactivationRateConstant ()
 
double getKInf ()
 
double getKInfLimit ()
 
double getK0Anal ()
 
double getK0Limit ()
 
double getE0 ()
 
double getE0PESValue ()
 
void setE0 (double E0) throws runTimeException, IllegalDataException
 
void setE0ToPESValue () throws runTimeException,IllegalDataException
 
void fillInformationBox () throws runTimeException
 
void save (ActionOnFileWrite write) throws IOException
 
void load (ActionOnFileRead read) throws IOException, IllegalDataException
 
- Public Member Functions inherited from RateConstantNVT
 RateConstantNVT (String kineticLevel, ElementaryReaction reaction)
 
void fillInformationBox () throws runTimeException
 
double getValue ()
 
String getKineticLevel ()
 
double[] getArrheniusFit (double temp1, double temp2) throws runTimeException, IllegalDataException
 
void save (ActionOnFileWrite write) throws IOException
 
void load (ActionOnFileRead read) throws IOException, IllegalDataException
 

Additional Inherited Members

- Protected Attributes inherited from RateConstantNVT
double value
 
String kineticLevel
 
ElementaryReaction reaction
 

The documentation for this class was generated from the following file: