Falloff Class Reference

Base class for falloff function calculators. More...

#include <Falloff.h>

Inheritance diagram for Falloff:

Public Member Functions
virtual void	init (const vector_fp &c)
	Initialize. More...
virtual void	updateTemp (doublereal T, doublereal *work) const
	Update the temperature-dependent portions of the falloff function, if any, and store them in the 'work' array. More...
virtual doublereal	F (doublereal pr, const doublereal *work) const
	The falloff function. More...
virtual size_t	workSize ()
	The size of the work array required. More...
virtual int	getType () const
	Return an integer representing the type of the Falloff parameterization. More...
virtual size_t	nParameters () const
	Returns the number of parameters used by this parameterization. More...
virtual void	getParameters (double *params) const
	Get the values of the parameters for this object. More...

Detailed Description

Base class for falloff function calculators.

Each instance of a subclass of Falloff computes one falloff function. This base class implements the trivial falloff function F = 1.0.

Definition at line 26 of file Falloff.h.

Member Function Documentation

init()

void init ( const vector_fp &  c )

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.

Reimplemented in SRI, and Troe.

Definition at line 16 of file Falloff.cpp.

updateTemp()

virtual void updateTemp ( doublereal  T, doublereal *  work  ) const

inlinevirtual

Update the temperature-dependent portions of the falloff function, if any, and store 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 SRI, and Troe.

Definition at line 47 of file Falloff.h.

F()

virtual doublereal F ( doublereal  pr, const doublereal *  work  ) const

inlinevirtual

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

the value of the falloff function \( F \) defined above

Reimplemented in SRI, and Troe.

Definition at line 66 of file Falloff.h.

workSize()

virtual size_t workSize ( )

inlinevirtual

The size of the work array required.

Reimplemented in SRI, and Troe.

Definition at line 71 of file Falloff.h.

getType()

virtual int getType ( ) const

inlinevirtual

Return an integer representing the type of the Falloff parameterization.

Reimplemented in SRI, and Troe.

Definition at line 76 of file Falloff.h.

nParameters()

virtual size_t nParameters ( ) const

inlinevirtual

Returns the number of parameters used by this parameterization.

The values of these parameters can be obtained from getParameters().

Reimplemented in SRI, and Troe.

Definition at line 82 of file Falloff.h.

getParameters()

virtual void getParameters ( double *  params ) const

inlinevirtual

Get the values of the parameters for this object.

params must be an array of at least nParameters() elements.

Reimplemented in SRI, and Troe.

Definition at line 88 of file Falloff.h.

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

• Falloff.h
• Falloff.cpp