A class for managing third-body efficiencies, including default values. More...
#include <Reaction.h>
A class for managing third-body efficiencies, including default values.
Definition at line 191 of file Reaction.h.
Public Member Functions | |
ThirdBody (const string &third_body) | |
ThirdBody (const AnyMap &node) | |
string | name () const |
Name of the third body collider. | |
void | setName (const string &third_body) |
Set name of the third body collider. | |
void | setParameters (const AnyMap &node) |
Set third-body efficiencies from AnyMap node | |
void | getParameters (AnyMap &node) const |
Get third-body efficiencies from AnyMap node | |
double | efficiency (const string &k) const |
Get the third-body efficiency for species k | |
string | collider () const |
Suffix representing the third body collider in reaction equation, for example + M or (+M) | |
bool | checkSpecies (const Reaction &rxn, const Kinetics &kin) const |
Verify that all species involved in collision efficiencies are defined in the Kinetics object. | |
Public Attributes | |
Composition | efficiencies |
Map of species to third body efficiency. | |
double | default_efficiency = 1. |
The default third body efficiency for species not listed in efficiencies. | |
bool | mass_action = true |
Third body is used by law of mass action (true for three-body reactions, false for falloff reactions) | |
bool | explicit_3rd = false |
Flag indicating whether third body requires explicit serialization. | |
Protected Attributes | |
string | m_name = "M" |
Name of the third body collider. | |
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inlineexplicit |
Definition at line 194 of file Reaction.h.
ThirdBody | ( | const string & | third_body | ) |
Definition at line 719 of file Reaction.cpp.
Definition at line 752 of file Reaction.cpp.
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inline |
void setName | ( | const string & | third_body | ) |
Set name of the third body collider.
Definition at line 724 of file Reaction.cpp.
void setParameters | ( | const AnyMap & | node | ) |
Set third-body efficiencies from AnyMap node
Definition at line 757 of file Reaction.cpp.
void getParameters | ( | AnyMap & | node | ) | const |
Get third-body efficiencies from AnyMap node
node | AnyMap receiving serialized parameters |
Definition at line 779 of file Reaction.cpp.
double efficiency | ( | const string & | k | ) | const |
Get the third-body efficiency for species k
Definition at line 792 of file Reaction.cpp.
string collider | ( | ) | const |
Suffix representing the third body collider in reaction equation, for example + M
or (+M)
Definition at line 797 of file Reaction.cpp.
Verify that all species involved in collision efficiencies are defined in the Kinetics object.
The function returns true if all species are found, and raises an exception unless the Kinetics object is configured to skip undeclared species, in which case false is returned.
Definition at line 805 of file Reaction.cpp.
Composition efficiencies |
Map of species to third body efficiency.
Definition at line 235 of file Reaction.h.
double default_efficiency = 1. |
The default third body efficiency for species not listed in efficiencies.
Definition at line 238 of file Reaction.h.
bool mass_action = true |
Third body is used by law of mass action (true
for three-body reactions, false
for falloff reactions)
Definition at line 242 of file Reaction.h.
bool explicit_3rd = false |
Flag indicating whether third body requires explicit serialization.
Definition at line 245 of file Reaction.h.
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protected |
Name of the third body collider.
Definition at line 249 of file Reaction.h.