C_AnyN Class Reference

Handles any number of species in a reaction, including fractional stoichiometric coefficients, and arbitrary reaction orders. More...

#include <StoichManager.h>

Detailed Description

Handles any number of species in a reaction, including fractional stoichiometric coefficients, and arbitrary reaction orders.

See Stoichiometry

Definition at line 334 of file StoichManager.h.

Public Member Functions
	C_AnyN (size_t rxn, span< const size_t > ic, span< const double > order_, span< const double > stoich_)
void	multiply (span< const double > input, span< double > output) const
void	incrementSpecies (span< const double > input, span< double > output) const
void	decrementSpecies (span< const double > input, span< double > output) const
void	incrementReaction (span< const double > input, span< double > output) const
void	decrementReaction (span< const double > input, span< double > output) const
void	resizeCoeffs (const map< pair< size_t, size_t >, size_t > &indices)
void	derivatives (span< const double > S, span< const double > R, span< double > jac) const
void	scale (span< const double > R, span< double > out, double factor) const

Private Attributes
size_t	m_n = 0
	Length of the m_ic vector.
size_t	m_rxn = npos
	ID of the reaction corresponding to this stoichiometric manager.
vector< size_t >	m_ic
	Vector of species which are involved with this stoichiometric manager calculations.
vector< double >	m_order
	Reaction orders for the reaction.
vector< double >	m_stoich
	Stoichiometric coefficients for the reaction, reactant or product side.
vector< size_t >	m_jc
	Indices in derivative triplet vector.
double	m_sum_order
	Sum of reaction order vector.

Constructor & Destructor Documentation

C_AnyN()

C_AnyN ( size_t  rxn, span< const size_t >  ic, span< const double >  order_, span< const double >  stoich_  )

inline

Definition at line 339 of file StoichManager.h.

Member Function Documentation

multiply()

void multiply ( span< const double >  input, span< double >  output  ) const

inline

Definition at line 354 of file StoichManager.h.

incrementSpecies()

void incrementSpecies ( span< const double >  input, span< double >  output  ) const

inline

Definition at line 368 of file StoichManager.h.

decrementSpecies()

void decrementSpecies ( span< const double >  input, span< double >  output  ) const

inline

Definition at line 375 of file StoichManager.h.

incrementReaction()

void incrementReaction ( span< const double >  input, span< double >  output  ) const

inline

Definition at line 382 of file StoichManager.h.

decrementReaction()

void decrementReaction ( span< const double >  input, span< double >  output  ) const

inline

Definition at line 388 of file StoichManager.h.

resizeCoeffs()

void resizeCoeffs ( const map< pair< size_t, size_t >, size_t > &  indices )

inline

Definition at line 394 of file StoichManager.h.

derivatives()

void derivatives ( span< const double >  S, span< const double >  R, span< double >  jac  ) const

inline

Definition at line 406 of file StoichManager.h.

scale()

void scale ( span< const double >  R, span< double >  out, double  factor  ) const

inline

Definition at line 432 of file StoichManager.h.

Member Data Documentation

m_n

size_t m_n = 0

private

Length of the m_ic vector.

This is the number of species which participate in the reaction order and stoichiometric coefficient vectors for the reactant or product description of the reaction.

Definition at line 444 of file StoichManager.h.

m_rxn

size_t m_rxn = npos

private

ID of the reaction corresponding to this stoichiometric manager.

This is used within the interface to select the array position to read and write to Normally this is associated with the reaction number in an array of quantities indexed by the reaction number, for example, ROP[irxn].

Definition at line 452 of file StoichManager.h.

m_ic

vector<size_t> m_ic

private

Vector of species which are involved with this stoichiometric manager calculations.

This is an integer list of species which participate in either the reaction order matrix or the stoichiometric order matrix for this reaction, m_rxn.

Definition at line 461 of file StoichManager.h.

m_order

vector<double> m_order

private

Reaction orders for the reaction.

This is either for the reactants or products. Length = m_n. Species number, m_ic[n], has a reaction order of m_order[n].

Definition at line 468 of file StoichManager.h.

m_stoich

vector<double> m_stoich

private

Stoichiometric coefficients for the reaction, reactant or product side.

This is either for the reactants or products. Length = m_n. Species number m_ic[m], has a stoichiometric coefficient of m_stoich[n].

Definition at line 475 of file StoichManager.h.

m_jc

vector<size_t> m_jc

private

Indices in derivative triplet vector.

Definition at line 477 of file StoichManager.h.

m_sum_order

double m_sum_order

private

Sum of reaction order vector.

Definition at line 479 of file StoichManager.h.

---

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

• StoichManager.h