Created
June 1, 2022 22:18
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MWE to illustrate the requirement for fix_unassigned_nonconstant_par_to_init (without it I get: ERROR: ExtraVariablesSystemException: The system is unbalanced. There are 4 highest order derivative variables and 3 equations.)
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using SBMLToolkit | |
using SBML | |
using Catalyst | |
using Downloads | |
case = "00170" | |
function read_case(case) | |
base_url = "https://raw.githubusercontent.com/sbmlteam/sbml-test-suite/master/cases/semantic/$case/$case" | |
sbml_url = base_url*"-sbml-l3v2.xml" | |
sbml = String(take!(Downloads.download(sbml_url, IOBuffer()))) | |
end | |
# Read case | |
sbml = read_case(case) | |
# Read SBML | |
ml = readSBMLFromString(sbml, doc -> begin | |
set_level_and_version(3, 2)(doc) | |
convert_simplify_math(doc) | |
end) | |
## Works | |
function mwe_ReactionSystem1(model::SBML.Model; kwargs...) # Todo: requires unique parameters (i.e. SBML must have been imported with localParameter promotion in libSBML) | |
# length(model.events) > 0 ? error("Model contains events. Please import with `ODESystem(model)`") : nothing @Anand: how to suppress this when called from ODESystem | |
rxs = SBMLToolkit.mtk_reactions(model) | |
u0map = SBMLToolkit.get_u0map(model) | |
parammap = SBMLToolkit.get_paramap(model) | |
defs = ModelingToolkit._merge(Dict(u0map), Dict(parammap)) | |
algrules, obsrules, raterules = SBMLToolkit.get_rules(model) | |
# constant_eqs = fix_constants_at_init(model) # Todo PL: take this out | |
unassigned_pars = SBMLToolkit.fix_unassigned_nonconstant_par_to_init(model) # @Sam: if I do not do that, there are too few equations. Do you have better suggestions? | |
for o in obsrules | |
defs[o.lhs] = substitute(o.rhs, defs) | |
end | |
constraints_sys = ODESystem(vcat(algrules, raterules, obsrules, unassigned_pars), | |
Catalyst.DEFAULT_IV; name = gensym(:CONSTRAINTS)) | |
# Hacky way to keep zero_ode species with contant=boundaryCondition=false in system | |
rs = ReactionSystem(rxs, Catalyst.DEFAULT_IV, first.(u0map), first.(parammap); defaults = defs, name = gensym(:SBML), | |
constraints = constraints_sys, kwargs...) | |
odessys = convert(ODESystem, rs; include_zero_odes=true, combinatoric_ratelaws=false) | |
u0map, fixed_to_init = SBMLToolkit.get_u0map(model, equations(odessys)) # Todo PL: Use input=true instead | |
constraints_sys = ODESystem(vcat(algrules, raterules, obsrules, unassigned_pars, fixed_to_init), | |
Catalyst.DEFAULT_IV; name = gensym(:CONSTRAINTS)) | |
ReactionSystem(rxs, Catalyst.DEFAULT_IV, first.(u0map), first.(parammap); defaults = defs, name = gensym(:SBML), | |
constraints = constraints_sys, kwargs...) | |
end | |
rs1 = mwe_ReactionSystem1(ml) # 4 states, 4 equations | |
sys1 = convert(ODESystem, rs1; include_zero_odes = false, combinatoric_ratelaws=false) | |
ssys = structural_simplify(sys1) | |
## Fails | |
function mwe_ReactionSystem2(model::SBML.Model; kwargs...) # Todo: requires unique parameters (i.e. SBML must have been imported with localParameter promotion in libSBML) | |
# length(model.events) > 0 ? error("Model contains events. Please import with `ODESystem(model)`") : nothing @Anand: how to suppress this when called from ODESystem | |
rxs = SBMLToolkit.mtk_reactions(model) | |
u0map = SBMLToolkit.get_u0map(model) | |
parammap = SBMLToolkit.get_paramap(model) | |
defs = ModelingToolkit._merge(Dict(u0map), Dict(parammap)) | |
algrules, obsrules, raterules = SBMLToolkit.get_rules(model) | |
# constant_eqs = fix_constants_at_init(model) # Todo PL: take this out | |
# unassigned_pars = SBMLToolkit.fix_unassigned_nonconstant_par_to_init(model) # @Sam: if I do not do that, there are too few equations. Do you have better suggestions? | |
for o in obsrules | |
defs[o.lhs] = substitute(o.rhs, defs) | |
end | |
constraints_sys = ODESystem(vcat(algrules, raterules, obsrules), | |
Catalyst.DEFAULT_IV; name = gensym(:CONSTRAINTS)) | |
# Hacky way to keep zero_ode species with contant=boundaryCondition=false in system | |
rs = ReactionSystem(rxs, Catalyst.DEFAULT_IV, first.(u0map), first.(parammap); defaults = defs, name = gensym(:SBML), | |
constraints = constraints_sys, kwargs...) | |
odessys = convert(ODESystem, rs; include_zero_odes=true, combinatoric_ratelaws=false) | |
u0map, fixed_to_init = SBMLToolkit.get_u0map(model, equations(odessys)) # Todo PL: Use input=true instead | |
constraints_sys = ODESystem(vcat(algrules, raterules, obsrules, fixed_to_init), | |
Catalyst.DEFAULT_IV; name = gensym(:CONSTRAINTS)) | |
ReactionSystem(rxs, Catalyst.DEFAULT_IV, first.(u0map), first.(parammap); defaults = defs, name = gensym(:SBML), | |
constraints = constraints_sys, kwargs...) | |
end | |
rs2 = mwe_ReactionSystem2(ml) # 4 states, 3 equations | |
sys2 = convert(ODESystem, rs2; include_zero_odes = false, combinatoric_ratelaws=false) | |
ssys = structural_simplify(sys2) # ERROR: ExtraVariablesSystemException: The system is unbalanced. There are 4 highest order derivative variables and 3 equations. |
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