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Problematic results for a simple reversible autocatalytic reaction #325

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BryanRumsey opened this issue Oct 4, 2022 · 1 comment · Fixed by #326 or #319
Closed

Problematic results for a simple reversible autocatalytic reaction #325

BryanRumsey opened this issue Oct 4, 2022 · 1 comment · Fixed by #326 or #319
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@BryanRumsey
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This issue was originally reported here

Fix

  • Remove the 0.5 term when creating homo-bimolecular propensities
  • Update unit tests
@BryanRumsey BryanRumsey self-assigned this Oct 4, 2022
@BryanRumsey BryanRumsey added the bug Something isn't working label Oct 4, 2022
@BryanRumsey BryanRumsey added this to the 1.1.1 Release milestone Oct 4, 2022
@briandrawert briandrawert linked a pull request Oct 5, 2022 that will close this issue
@PENG-Zhen
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PENG-Zhen commented Oct 6, 2022

I guess I know a reason behind the bug: simply a notation issue.
The "k" value and "c" value are sometimes mistaken. Usually people use "k" to denote the "reaction rate constant" under mass action kinetics, while in GA, "c" is usually used to denote the "stochastic reaction constant". The original error was probably because I entered the "k" value as the tutorial on your website used the symbol "k", but the program actually considered that it was the "c" value by default. And I also messed up when I stated the error on github; I should have said "reaction rate constant" instead of "stochastic reaction constant".
I guess it might be a good idea to clearly state in a tutorial or documentation about whether a "k" value or a "c" value should be used, and the trickiness when the propensity of a reaction requiring >=2 same reactants to occur (e.g., for 2X=>Y, propensity = c * 0.5 * x * (x-1), c = 2 * k / volume).

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