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update cases to use the not in Chat mode
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metelkin committed Jun 16, 2024
1 parent d83c3d8 commit a6f3cfb
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Showing 20 changed files with 28 additions and 82 deletions.
1 change: 1 addition & 0 deletions cases/0001/index0.heta
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/*
Create the simplest QSP model in Heta notation.
Something like "hello world" in programming.
One compartment, one species, one reaction with mass action.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0001/index1.heta
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/*
Add another simple export formats
Simple Heta model exported to SBML, JSON and YAML formats.
*/
// index.heta

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22 changes: 0 additions & 22 deletions cases/0001/index2.heta

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23 changes: 0 additions & 23 deletions cases/0001/index3.heta

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1 change: 1 addition & 0 deletions cases/0001/index4.heta
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/*
Create simple Heta model.
Add all available export formats with default file names and default options.
*/
// index.heta
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1 change: 1 addition & 0 deletions cases/0001/index5.heta
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/*
Create simple Heta model.
For the same model add as many as possible available export options.
*/
// index.heta
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2 changes: 1 addition & 1 deletion cases/0002/index1.heta
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/*
Use Michaelis-Menten type reaction for r1.
Create simple Heta model with Michaelis-Menten (MM) type reaction for r1.
*/
// index.heta

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4 changes: 2 additions & 2 deletions cases/0002/index2.heta
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/*
Replace non-reversible Michaelis-Menten (MM) kinetics by reversible Michaelis-Menten kinetics.
Create simple Heta model with reversible Michaelis-Menten (MM) kinetics.
*/
// index.heta

Expand All @@ -12,7 +12,7 @@ p1 @Species {compartment: comp1} .= 0;

// reaction
r1 @Reaction {actors: s1 -> p1, reversible: true};
r1 := Vmax * (s1 - p1/Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;
r1 := Vmax * (s1 - p1 / Keq) / (Km_s1 + s1 + Km_s1 / Km_p1 * p1) * comp1;

// reaction constant
Vmax @Const = 0.1;
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4 changes: 2 additions & 2 deletions cases/0002/index3.heta
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@@ -1,6 +1,6 @@
/*
Add units to all components.
Units can be taken from qsp-units.heta from default template.
Create simple model with reversible MM.
Add units to all components from qsp-units.heta from default template.
*/
// index.heta

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3 changes: 2 additions & 1 deletion cases/0002/index4.heta
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/*
Do not use units from qsp-units.heta. Use only base units.
Create reversible MM kinetics model with 1 substrate and 1 product.
Set units for all quantities without defineUnits. Units must be: second, micro moles, litre, etc.
*/
// index.heta

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1 change: 1 addition & 0 deletions cases/0002/index5.heta
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@@ -1,4 +1,5 @@
/*
Create simple model with reversible MM.
Use short names for units like in qsp-units.heta
*/
// index.heta
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4 changes: 2 additions & 2 deletions cases/0003/index1.heta
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/*
Remove export.
Rename species to p1.
Do not use export action.
Create Heta model for constant production of species p1 in compartment comp1.
*/
// index.heta

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17 changes: 0 additions & 17 deletions cases/0003/index2.heta

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2 changes: 1 addition & 1 deletion cases/0003/index3.heta
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/*
Make s1 buffered (boundary) which means s1 does not change in time.
Create Heta model where product is transformed from boundary (buffered) species.
*/
// index.heta

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9 changes: 5 additions & 4 deletions cases/0003/index4.heta
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/*
Put s1 and p1 into two different compartments
Build Heta model which desribes the transport of a substance from one compartment to another.
The concentration of source species is constant and the transport is described by a first order reaction.
*/
// index.heta

Expand All @@ -8,11 +9,11 @@ comp1 @Compartment .= 1;
comp2 @Compartment .= 3;

// species
p1 @Species {compartment: comp1} .= 0;
s1 @Species {compartment: comp2, boundary: true} .= 100;
s1 @Species {compartment: comp1, boundary: true} .= 100;
p1 @Species {compartment: comp2} .= 0;

// reactions
r1 @Reaction {actors: s1 => p1} := k1 * s1 * comp2;
r1 @Reaction {actors: s1 => p1} := k1 * s1 * comp1;

// parameters
k1 @Const = 0.1;
2 changes: 1 addition & 1 deletion cases/0004/index1.heta
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/*
Use stoicheometry 2 for the species
Create Heta model where substrate is eliminagted with stoichiometry 2.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0004/index2.heta
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/*
Add product with stoicheometry 1
Write Heta model with reaction where substrate is transformed to product with stoichiometry 2:1.
*/
// index.heta

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2 changes: 1 addition & 1 deletion cases/0004/index3.heta
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/*
Create a model with a single compartment, and reaction with stoicheometry
Create a Heta model with a single compartment, and reaction with stoicheometry
2s1 + 3s2 => p1 + p2
*/
// index.heta
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3 changes: 2 additions & 1 deletion cases/0004/index4.heta
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@@ -1,5 +1,6 @@
/*
Make reaction reversible
Create Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Use mass action law.
*/
// index.heta

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5 changes: 3 additions & 2 deletions cases/0004/index5.heta
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/*
Ad units of measurments for all.
Use short designation for units
Create Heta model with reversible reaction and stoicheometry: 2s1 + 3s2 <=> p1 + p2.
Use mass action law.
Define units for time, volume, and concentration.
*/
// index.heta

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