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ReactionPath Class Reference
Inheritance diagram for ReactionPath:

Public Member Functions

 ReactionPath (double T) throws CancelException, IOException, IllegalDataException
 
 ReactionPath (ActionOnFileRead read) throws IOException, IllegalDataException
 
void testCoherenceData () throws IllegalDataException
 
ReactionPathPoint findTs () throws IllegalDataException
 
Vector getTrajectory ()
 
int getPointNumber ()
 
ReactionPathPoint getTs ()
 
ReactionPathPoint getGMaximum ()
 
ReactionPathPoint getG0Maximum ()
 
Vector dataRead () throws IllegalDataException, IOException, CancelException
 
void setTemperature (double T) throws IllegalDataException
 
void setPressure (double P) throws IllegalDataException
 
void save (ActionOnFileWrite write) throws IOException
 
void load (ActionOnFileRead read) throws IOException, IllegalDataException
 
- Public Member Functions inherited from ToEquilibrium
void setTemperature (double T) throws runTimeException, IllegalDataException
 
void setPressure (double P) throws runTimeException, IllegalDataException
 

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