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Cantera  3.1.0
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ReactionPathBuilder Class Reference

Detailed Description

Definition at line 297 of file ReactionPath.h.

Public Member Functions

int init (std::ostream &logfile, Kinetics &s)
 
int build (Kinetics &s, const string &element, std::ostream &output, ReactionPathDiagram &r, bool quiet=false)
 
int findGroups (std::ostream &logfile, Kinetics &s)
 Analyze a reaction to determine which reactants lead to which products.
 

Protected Member Functions

void findElements (Kinetics &kin)
 

Protected Attributes

size_t m_nr
 
size_t m_ns
 
size_t m_nel
 
vector< double > m_ropf
 
vector< double > m_ropr
 
vector< double > m_x
 
vector< vector< size_t > > m_reac
 
vector< vector< size_t > > m_prod
 
DenseMatrix m_elatoms
 
vector< vector< int > > m_groups
 
vector< Groupm_sgroup
 
vector< string > m_elementSymbols
 
map< size_t, map< size_t, map< size_t, Group > > > m_transfer
 m_transfer[reaction][reactant number][product number] where "reactant number" means the number of the reactant in the reaction equation.
 
vector< bool > m_determinate
 
Array2D m_atoms
 
map< string, size_t > m_enamemap
 

Member Function Documentation

◆ init()

int init ( std::ostream &  logfile,
Kinetics s 
)

Definition at line 533 of file ReactionPath.cpp.

◆ build()

int build ( Kinetics s,
const string &  element,
std::ostream &  output,
ReactionPathDiagram r,
bool  quiet = false 
)

Definition at line 669 of file ReactionPath.cpp.

◆ findGroups()

int findGroups ( std::ostream &  logfile,
Kinetics s 
)

Analyze a reaction to determine which reactants lead to which products.

Definition at line 384 of file ReactionPath.cpp.

◆ findElements()

void findElements ( Kinetics kin)
protected

Definition at line 494 of file ReactionPath.cpp.

Member Data Documentation

◆ m_nr

size_t m_nr
protected

Definition at line 314 of file ReactionPath.h.

◆ m_ns

size_t m_ns
protected

Definition at line 315 of file ReactionPath.h.

◆ m_nel

size_t m_nel
protected

Definition at line 316 of file ReactionPath.h.

◆ m_ropf

vector<double> m_ropf
protected

Definition at line 317 of file ReactionPath.h.

◆ m_ropr

vector<double> m_ropr
protected

Definition at line 318 of file ReactionPath.h.

◆ m_x

vector<double> m_x
protected

Definition at line 319 of file ReactionPath.h.

◆ m_reac

vector<vector<size_t> > m_reac
protected

Definition at line 320 of file ReactionPath.h.

◆ m_prod

vector<vector<size_t> > m_prod
protected

Definition at line 321 of file ReactionPath.h.

◆ m_elatoms

DenseMatrix m_elatoms
protected

Definition at line 322 of file ReactionPath.h.

◆ m_groups

vector<vector<int> > m_groups
protected

Definition at line 323 of file ReactionPath.h.

◆ m_sgroup

vector<Group> m_sgroup
protected

Definition at line 324 of file ReactionPath.h.

◆ m_elementSymbols

vector<string> m_elementSymbols
protected

Definition at line 325 of file ReactionPath.h.

◆ m_transfer

map<size_t, map<size_t, map<size_t, Group> > > m_transfer
protected

m_transfer[reaction][reactant number][product number] where "reactant number" means the number of the reactant in the reaction equation.

For example, for "A+B -> C+D", "B" is reactant number 1 and "C" is product number 0.

Definition at line 330 of file ReactionPath.h.

◆ m_determinate

vector<bool> m_determinate
protected

Definition at line 332 of file ReactionPath.h.

◆ m_atoms

Array2D m_atoms
protected

Definition at line 333 of file ReactionPath.h.

◆ m_enamemap

map<string, size_t> m_enamemap
protected

Definition at line 334 of file ReactionPath.h.


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