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Detailed balance #965

Merged
merged 33 commits into from
Nov 6, 2024
Merged

Detailed balance #965

merged 33 commits into from
Nov 6, 2024

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vyudu
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@vyudu vyudu commented Jul 3, 2024

Code and tests for testing whether a reaction networks with a given set of rate parameters is detailed balanced.

@isaacsas
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This needs to be updated to master.

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@vyudu when you have a chance can you update to master? (No rush though as I’m traveling this week as we discussed.)

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isaacsas commented Aug 5, 2024

bump

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vyudu commented Aug 6, 2024

Sorry about the delay - will be active again in a week or so

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vyudu commented Nov 4, 2024

This one should be ready for review @isaacsas

src/network_analysis.jl Outdated Show resolved Hide resolved
if deficiency(rs) > 0
rxn_idxs = [edgeindex(D, Graphs.src(e), Graphs.dst(e)) for e in spanning_forest]
S_F = netstoichmat(rs)[:, rxn_idxs]
sols = nullspace(S_F)
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Should this use ModelingToolkit's integer nullspace?

src/network_analysis.jl Outdated Show resolved Hide resolved
@isaacsas isaacsas merged commit f1c3789 into SciML:master Nov 6, 2024
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@vyudu vyudu deleted the detailedbalance branch November 11, 2024 15:43
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2 participants