Skip to content

Commit

Permalink
init
Browse files Browse the repository at this point in the history
  • Loading branch information
TorkelE committed Nov 17, 2024
1 parent c9ff227 commit b1e601b
Show file tree
Hide file tree
Showing 3 changed files with 36 additions and 2 deletions.
2 changes: 1 addition & 1 deletion docs/src/introduction_to_catalyst/math_models_intro.md
Original file line number Diff line number Diff line change
Expand Up @@ -73,7 +73,7 @@ while the jump process propensity function is
a(\mathbf{X}(t)) = k A (A-1) B.
```

## Reaction Rate Equation (RRE) ODE Models
## [Reaction Rate Equation (RRE) ODE Models](@id math_models_in_catalyst_rre_odes)
The RRE ODE models Catalyst creates for a general system correspond to the coupled system of ODEs given by
```math
\frac{d X_m}{dt} =\sum_{k=1}^K \nu_m^k a_k(\mathbf{X}(t),t), \quad m = 1,\dots,M.
Expand Down
34 changes: 34 additions & 0 deletions docs/src/model_creation/dsl_advanced.md
Original file line number Diff line number Diff line change
Expand Up @@ -540,3 +540,37 @@ nothing # hide

!!! note
When using interpolation, expressions like `2$spec` won't work; the multiplication symbol must be explicitly included like `2*$spec`.

## [Disabling mass action for reactions](@id dsl_advanced_options_disable_ma)

As [described previously](@ref math_models_in_catalyst_rre_odes), Catalyst uses *mass action kinetics* to generate ODEs from reactions. Here, each reaction generates a term for each of its reactants, which consists of the reaction's rate, substrates, and the reactant's stoichiometry. E.g. the following reaction:
```@example dsl_advanced_disable_ma
using Catalyst # hide
rn = @reaction_network begin
k, X --> ∅
end
```
generates a single term $-k*[X]$:
```@example dsl_advanced_disable_ma
using Latexify
latexify(rn; form = :ode)
```

It is possible to remove the substrate contribution by using any of the following non-filled arrows when declaring the reaction: `<=`, ``, ``, `=>`, ``, ``, ``, ``. This means that the reaction
```@example faq7
rn = @reaction_network begin
k, X => ∅
end
latexify(rn; form = :ode)
```
will occur at rate $d[X]/dt = -k$ (which might become a problem since $[X]$ will be degraded at a constant rate even when very small or equal to 0). This functionality allows the user to fully customise the ODEs generated by their models.

Note, stoichiometric coefficients are still included, i.e. the reaction
```@example faq7
rn = @reaction_network begin
k, 2*X ⇒ ∅
end
latexify(rn; form = :ode)
```
has rate $d[X]/dt = -2 k$.

2 changes: 1 addition & 1 deletion docs/src/model_creation/dsl_basics.md
Original file line number Diff line number Diff line change
Expand Up @@ -373,4 +373,4 @@ It should be noted that the following symbols are *not permitted* to be used as
- `` ([used for production/degradation reactions](@ref dsl_description_symbols_empty_set)).
- `im` (used in Julia to represent [complex numbers](https://docs.julialang.org/en/v1/manual/complex-and-rational-numbers/#Complex-Numbers)).
- `nothing` (used in Julia to denote [nothing](https://docs.julialang.org/en/v1/base/constants/#Core.nothing)).
- `Γ` (used by Catalyst to represent conserved quantities).
- `Γ` (used by Catalyst to represent [conserved quantities](@ref constraint_equations)).

0 comments on commit b1e601b

Please sign in to comment.