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reformated some comments.
This commit is contained in:
Harry Moffat 2007-05-17 21:17:16 +00:00
parent 803b4f1803
commit 6035a7c6d1
1 changed files with 16 additions and 14 deletions
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Cantera/src/kinetics/StoichManager.h
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@ -33,7 +33,6 @@ namespace Cantera {
* 1, and in many cases no more than three coefficients are
* non-zero for the reactants and/or the products.
*
* For the present purposes, we will consider each direction of a
* reversible reaction to be a separate reaction. We often need to
* compute quantities that can formally be written as a matrix
@ -45,15 +44,18 @@ namespace Cantera {
* \f]
* where \f$ \nu^{(p)_{k,i}} \f$ is the product-side stoichiometric
* coefficient of species \a k in reaction \a i.
* This could be done be straightforward matrix multiplication, but would be inefficient, since most of the matrix elements of \f$ \nu^{(p)}_{k,i} \f$ are zero. We could do better by using sparse-matrix algorithms to compute this product.
If the reactions are general ones, with non-integral stoichiometric
coefficients, this is about as good as we can do. But we are
particularly concerned here with the performance for very large
reaction mechanisms, which are usually composed of elementary
reactions, which have integral stoichiometric
coefficients. Furthermore, very few elementary reactions involve more
than 3 product or reactant molecules. This means that instead of
* This could be done be straightforward matrix multiplication,
* but would be inefficient, since most of the matrix elements
* of \f$ \nu^{(p)}_{k,i} \f$ are zero. We could do better by
* using sparse-matrix algorithms to compute this product.
*
* If the reactions are general ones, with non-integral stoichiometric
* coefficients, this is about as good as we can do. But we are
* particularly concerned here with the performance for very large
* reaction mechanisms, which are usually composed of elementary
* reactions, which have integral stoichiometric
* coefficients. Furthermore, very few elementary reactions involve more
* than 3 product or reactant molecules. This means that instead of
But we can do even better if we take account of the special structure
@ -61,13 +63,12 @@ of this matrix for elementary reactions.
involve three or fewer product molecules (or reactant molecules).
* To take advantage of this structure, reactions are divided int
* To take advantage of this structure, reactions are divided into
These classes are
* designed to take advantage of this sparse structure when
* computing quantities that can be written as matrix multiplies
They are designed to explicitly unroll loops over species or reactions for
* They are designed to explicitly unroll loops over species or reactions for
* Operations on reactions that require knowing the reaction
* stoichiometry.
* This module consists of class StoichManager, and
@ -212,7 +213,8 @@ They are designed to explicitly unroll loops over species or reactions for
}
private:
int m_rxn, m_ic0;
int m_rxn;
int m_ic0;
};