Base class for falloff function calculators. More...
#include <FalloffFactory.h>
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. |
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.
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.
virtual doublereal F | ( | doublereal | pr, | |
const_workPtr | work | |||
) | const [pure virtual] |
The falloff function.
This is defined so that the rate coefficient is
Here is the reduced pressure, defined by
pr | reduced pressure (dimensionless). | |
work | array of size workSize() containing cached temperature-dependent intermediate results from a prior call to updateTemp. |
virtual void init | ( | const vector_fp & | c | ) | [pure virtual] |
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.
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] |