Handles any number of species in a reaction, including fractional stoichiometric coefficients, and arbitrary reaction orders.
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#include <StoichManager.h>
Handles any number of species in a reaction, including fractional stoichiometric coefficients, and arbitrary reaction orders.
See Stoichiometry
Definition at line 332 of file StoichManager.h.
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| | C_AnyN (size_t rxn, const vector< size_t > &ic, const vector< double > &order_, const vector< double > &stoich_) |
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| void | multiply (const double *input, double *output) const |
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| void | incrementSpecies (const double *input, double *output) const |
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| void | decrementSpecies (const double *input, double *output) const |
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| void | incrementReaction (const double *input, double *output) const |
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| void | decrementReaction (const double *input, double *output) const |
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| void | resizeCoeffs (const map< pair< size_t, size_t >, size_t > &indices) |
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| void | derivatives (const double *S, const double *R, vector< double > &jac) const |
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| void | scale (const double *R, double *out, double factor) const |
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| size_t | m_n = 0 |
| | Length of the m_ic vector.
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| size_t | m_rxn = npos |
| | ID of the reaction corresponding to this stoichiometric manager.
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| vector< size_t > | m_ic |
| | Vector of species which are involved with this stoichiometric manager calculations.
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| vector< double > | m_order |
| | Reaction orders for the reaction.
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| vector< double > | m_stoich |
| | Stoichiometric coefficients for the reaction, reactant or product side.
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| vector< size_t > | m_jc |
| | Indices in derivative triplet vector.
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| double | m_sum_order |
| | Sum of reaction order vector.
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◆ C_AnyN()
| C_AnyN |
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size_t |
rxn, |
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const vector< size_t > & |
ic, |
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const vector< double > & |
order_, |
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const vector< double > & |
stoich_ |
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) |
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◆ multiply()
| void multiply |
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const double * |
input, |
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double * |
output |
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) |
| const |
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inline |
◆ incrementSpecies()
| void incrementSpecies |
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const double * |
input, |
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double * |
output |
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) |
| const |
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inline |
◆ decrementSpecies()
| void decrementSpecies |
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const double * |
input, |
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double * |
output |
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) |
| const |
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inline |
◆ incrementReaction()
| void incrementReaction |
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const double * |
input, |
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double * |
output |
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| const |
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inline |
◆ decrementReaction()
| void decrementReaction |
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const double * |
input, |
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double * |
output |
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) |
| const |
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inline |
◆ resizeCoeffs()
| void resizeCoeffs |
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const map< pair< size_t, size_t >, size_t > & |
indices | ) |
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inline |
◆ derivatives()
| void derivatives |
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const double * |
S, |
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const double * |
R, |
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vector< double > & |
jac |
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) |
| const |
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inline |
◆ scale()
| void scale |
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const double * |
R, |
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double * |
out, |
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double |
factor |
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) |
| const |
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inline |
◆ m_n
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 441 of file StoichManager.h.
◆ m_rxn
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 449 of file StoichManager.h.
◆ m_ic
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 458 of file StoichManager.h.
◆ m_order
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 465 of file StoichManager.h.
◆ m_stoich
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 472 of file StoichManager.h.
◆ m_jc
◆ m_sum_order
The documentation for this class was generated from the following file:
1.9.7