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HOTFIX: Homo-Dimer Reaction Propensities #329

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merged 1 commit into from
Oct 26, 2022

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BryanRumsey
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Case 1

This case is impossible to catch since python dictionaries don't support duplicate keys.

r1 = spatialpy.Reaction(
    name="r1", reactants={"s1":1, "s1":1}, products={"s1":1, "s2":1}, rate=0.1
)

Case 2

S1 = spatialpy.Species(name="s1", diffusion_coefficient=0.1)
r2 = spatialpy.Reaction(
    name="r2", reactants={"s1":1, S1:1}, products={"s1":1, "s2":1}, rate=0.1
)

Propensity Bug

r2
	Reactants
		s1: 1
	Products
		s1: 1
		s2: 1
	Propensity Function: (0.1*s1)

Fixed Propensity

r2
	Reactants
		s1: 2
	Products
		s1: 1
		s2: 1
	Propensity Function: (((0.1*s1)*(s1-1))/vol)

Case 3

r3 = spatialpy.Reaction(
    name="r3", reactants={"s1":1}, products={"s1":1, "s2":1}, rate=0.1
)
r3.add_reactant("s1", 1)

Propensity Bug

r3
	Reactants
		s1: 1
	Products
		s1: 1
		s2: 1
	Propensity Function: (0.1*s1)

Fixed Propensity

r3
	Reactants
		s1: 2
	Products
		s1: 1
		s2: 1
	Propensity Function: (((0.1*s1)*(s1-1))/vol)

closes #328

@BryanRumsey BryanRumsey added this to the 1.1.2 Release milestone Oct 6, 2022
@BryanRumsey BryanRumsey added this to In Progress in Release v1.1.2 via automation Oct 6, 2022
@BryanRumsey BryanRumsey self-assigned this Oct 6, 2022
@BryanRumsey BryanRumsey moved this from In Progress to Ready for Review in Release v1.1.2 Oct 6, 2022
@BryanRumsey BryanRumsey mentioned this pull request Oct 6, 2022
Release v1.1.2 automation moved this from Ready for Review to Approved Oct 26, 2022
@briandrawert briandrawert merged commit e8bf65c into develop Oct 26, 2022
Release v1.1.2 automation moved this from Approved to Done Oct 26, 2022
@briandrawert briandrawert deleted the hotfix-hdma-propensities branch October 26, 2022 20:09
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3 participants