Falloff Class Reference
[Falloff Parameterizations]

Base class for falloff function calculators. More...

#include <FalloffFactory.h>

Inheritance diagram for Falloff:
Inheritance graph
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List of all members.

Public Member Functions

 Falloff ()
 Default constructor is empty.
virtual ~Falloff ()
 default destructor is empty
virtual void init (const vector_fp &c)=0
 Initialize.
virtual void updateTemp (doublereal T, workPtr work) const
 Update the temperature-dependent portions of the falloff function, if any.
virtual doublereal F (doublereal pr, const_workPtr work) const =0
 The falloff function.
virtual size_t workSize ()=0
 The size of the work array required.

Detailed Description

Base class for falloff function calculators.

Each instance of a subclass of Falloff computes one falloff function.

Definition at line 43 of file FalloffFactory.h.


Constructor & Destructor Documentation

Falloff (  )  [inline]

Default constructor is empty.

Definition at line 47 of file FalloffFactory.h.

virtual ~Falloff (  )  [inline, virtual]

default destructor is empty

Definition at line 50 of file FalloffFactory.h.


Member Function Documentation

virtual doublereal F ( doublereal  pr,
const_workPtr  work 
) const [pure virtual]

The falloff function.

This is defined so that the rate coefficient is

\[ k = F(Pr)\frac{Pr}{1 + Pr}. \]

Here $ Pr $ is the reduced pressure, defined by

\[ Pr = \frac{k_0 [M]}{k_\infty}. \]

Parameters:
pr reduced pressure (dimensionless).
work array of size workSize() containing cached temperature-dependent intermediate results from a prior call to updateTemp.
Returns:
Returns the value of the falloff function $ F $ defined above

Implemented in Troe3, Troe4, SRI3, SRI5, and WF93.

virtual void init ( const vector_fp &  c  )  [pure virtual]

Initialize.

Must be called before any other method is invoked.

Parameters:
c Vector of coefficients of the parameterization. The number and meaning of these coefficients is subclass-dependent.

Implemented in Troe3, Troe4, SRI3, SRI5, and WF93.

Referenced by FalloffFactory::newFalloff().

virtual void updateTemp ( doublereal  T,
workPtr  work 
) const [inline, virtual]

Update the temperature-dependent portions of the falloff function, if any.

This method evaluates temperature-dependent intermediate results and stores them in the 'work' array. If not overloaded, the default behavior is to do nothing.

Parameters:
T Temperature [K].
work storage space for intermediate results.

Reimplemented in Troe3, Troe4, SRI3, SRI5, and WF93.

Definition at line 70 of file FalloffFactory.h.

virtual size_t workSize (  )  [pure virtual]

The size of the work array required.

Implemented in Troe3, Troe4, SRI3, SRI5, and WF93.


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