Merge a5cc9df into b6a9a04

test/meta/mtk_problem_inputs.jl

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+#! format: off
+
+### Prepares Tests ###
+
+# Fetch packages
+using Catalyst, JumpProcesses, NonlinearSolve, OrdinaryDiffEq, SteadyStateDiffEq, StochasticDiffEq, Test
+
+# Sets rnd number.
+using StableRNGs
+rng = StableRNG(12345)
+seed = rand(rng, 1:100)
+
+
+### Basic Tests ###
+
+# Prepares a models and initial conditions/parameters (of different forms) to be used as problem inputs.
+begin 
+    model = @reaction_network begin
+        @species Z(t) = Z0
+        @parameters k2=0.5 Z0
+        (kp,kd), 0 <--> X
+        (k1,k2), X <--> Y
+        (k1,k2), Y <--> Z
+    end
+    @unpack X, Y, Z, kp, kd, k1, k2, Z0 = model
+
+    u0_alts = [
+        # Vectors not providing default values.
+        [X => 4, Y => 5],
+        [model.X => 4, model.Y => 5],
+        [:X => 4, :Y => 5],
+        # Vectors providing default values.
+        [X => 4, Y => 5, Z => 10],
+        [model.X => 4, model.Y => 5, model.Z => 10],
+        [:X => 4, :Y => 5, :Z => 10],
+        # Dicts not providing default values.
+        Dict([X => 4, Y => 5]),
+        Dict([model.X => 4, model.Y => 5]),
+        Dict([:X => 4, :Y => 5]),
+        # Dicts providing default values.
+        Dict([X => 4, Y => 5, Z => 10]),
+        Dict([model.X => 4, model.Y => 5, model.Z => 10]),
+        Dict([:X => 4, :Y => 5, :Z => 10]),
+        # Tuples not providing default values.
+        (X => 4, Y => 5),
+        (model.X => 4, model.Y => 5),
+        (:X => 4, :Y => 5),
+        # Tuples providing default values.
+        (X => 4, Y => 5, Z => 10),
+        (model.X => 4, model.Y => 5, model.Z => 10),
+        (:X => 4, :Y => 5, :Z => 10)
+    ]
+    tspan = (0.0, 10.0)
+    p_alts = [
+        # Vectors not providing default values.
+        [kp => 1.0, kd => 0.1, k1 => 0.25, Z0 => 10],
+        [model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.Z0 => 10],
+        [:kp => 1.0, :kd => 0.1, :k1 => 0.25, :Z0 => 10],
+        # Vectors providing default values.
+        [kp => 1.0, kd => 0.1, k1 => 0.25, k2 => 0.5, Z0 => 10],
+        [model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.k2 => 0.5, model.Z0 => 10],
+        [:kp => 1.0, :kd => 0.1, :k1 => 0.25, :k2 => 0.5, :Z0 => 10],
+        # Dicts not providing default values.
+        Dict([kp => 1.0, kd => 0.1, k1 => 0.25, Z0 => 10]),
+        Dict([model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.Z0 => 10]),
+        Dict([:kp => 1.0, :kd => 0.1, :k1 => 0.25, :Z0 => 10]),
+        # Dicts providing default values.
+        Dict([kp => 1.0, kd => 0.1, k1 => 0.25, k2 => 0.5, Z0 => 10]),
+        Dict([model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.k2 => 0.5, model.Z0 => 10]),
+        Dict([:kp => 1.0, :kd => 0.1, :k1 => 0.25, :k2 => 0.5, :Z0 => 10]),
+        # Tuples not providing default values.
+        (kp => 1.0, kd => 0.1, k1 => 0.25, Z0 => 10),
+        (model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.Z0 => 10),
+        (:kp => 1.0, :kd => 0.1, :k1 => 0.25, :Z0 => 10),
+        # Tuples providing default values.
+        (kp => 1.0, kd => 0.1, k1 => 0.25, k2 => 0.5, Z0 => 10),
+        (model.kp => 1.0, model.kd => 0.1, model.k1 => 0.25, model.k2 => 0.5, model.Z0 => 10),
+        (:kp => 1.0, :kd => 0.1, :k1 => 0.25, :k2 => 0.5, :Z0 => 10),
+    ]
+end
+
+# Perform ODE simulations (singular and ensemble).
+let 
+    # Creates normal and ensemble problems.
+    base_oprob = ODEProblem(model, u0_alts[1], tspan, p_alts[1])
+    base_sol = solve(base_oprob, Tsit5(); saveat = 1.0)
+    base_eprob = EnsembleProblem(base_oprob)
+    base_esol = solve(base_eprob, Tsit5(); trajectories = 2, saveat = 1.0)
+
+    # Simulates problems for all input types, checking that identical solutions are found.
+    for u0 in u0_alts, p in p_alts
+        oprob = remake(base_oprob; u0, p)
+        @test base_sol == solve(oprob, Tsit5(); saveat = 1.0)
+        eprob = remake(base_eprob; u0, p)
+        @test base_esol == solve(eprob, Tsit5(); trajectories = 2, saveat = 1.0)
+    end
+end
+
+# Perform SDE simulations (singular and ensemble).
+let 
+    # Creates normal and ensemble problems.
+    base_sprob = SDEProblem(model, u0_alts[1], tspan, p_alts[1])
+    base_sol = solve(base_sprob, ImplicitEM(); seed, saveat = 1.0)
+    base_eprob = EnsembleProblem(base_sprob)
+    base_esol = solve(base_eprob, ImplicitEM(); seed, trajectories = 2, saveat = 1.0)
+
+    # Simulates problems for all input types, checking that identical solutions are found.
+    for u0 in u0_alts, p in p_alts
+        sprob = remake(base_sprob; u0, p)
+        @test base_sol == solve(sprob, ImplicitEM(); seed, saveat = 1.0)
+        eprob = remake(base_eprob; u0, p)
+        @test base_esol == solve(eprob, ImplicitEM(); seed, trajectories = 2, saveat = 1.0)
+    end
+end
+
+# Perform jump simulations (singular and ensemble).
+let 
+    # Creates normal and ensemble problems.
+    base_dprob = DiscreteProblem(model, u0_alts[1], tspan, p_alts[1])
+    base_jprob = JumpProblem(model, base_dprob, Direct(); rng)
+    base_sol = solve(base_jprob, SSAStepper(); seed, saveat = 1.0)
+    base_eprob = EnsembleProblem(base_jprob)
+    base_esol = solve(base_eprob, SSAStepper(); seed, trajectories = 2, saveat = 1.0)
+
+    # Simulates problems for all input types, checking that identical solutions are found.
+    for u0 in u0_alts, p in p_alts
+        jprob = remake(base_jprob; u0, p)
+        @test base_sol == solve(base_jprob, SSAStepper(); seed, saveat = 1.0)
+        eprob = remake(base_eprob; u0, p)
+        @test base_esol == solve(eprob, SSAStepper(); seed, trajectories = 2, saveat = 1.0)
+    end
+end
+
+# Solves a nonlinear problem (EnsembleProblems are not possible for these).
+let
+    base_nlprob = NonlinearProblem(model, u0_alts[1], p_alts[1])
+    base_sol = solve(base_nlprob, NewtonRaphson())
+    for u0 in u0_alts, p in p_alts
+        nlprob = remake(base_nlprob; u0, p)
+        @test base_sol == solve(nlprob, NewtonRaphson())
+    end
+end
+
+# Perform steady state simulations (singular and ensemble).
+let 
+    # Creates normal and ensemble problems.
+    base_ssprob = SteadyStateProblem(model, u0_alts[1], p_alts[1])
+    base_sol = solve(base_ssprob, DynamicSS(Tsit5()))
+    base_eprob = EnsembleProblem(base_ssprob)
+    base_esol = solve(base_eprob, DynamicSS(Tsit5()); trajectories = 2)
+
+    # Simulates problems for all input types, checking that identical solutions are found.
+    for u0 in u0_alts, p in p_alts
+        ssprob = remake(base_ssprob; u0, p)
+        @test base_sol == solve(ssprob, DynamicSS(Tsit5()))
+        eprob = remake(base_eprob; u0, p)
+        @test base_esol == solve(eprob, DynamicSS(Tsit5()); trajectories = 2)
+    end
+end
+
+
+### Checks Errors On Faulty Inputs ###
+
+# Checks various erroneous problem inputs, ensuring that these throw errors.
+let
+    # Declares the model.
+    rn = @reaction_network begin
+        (k1,k2), X1 <--> X2
+    end
+    @unpack k1, k2, X1, X2 = rn
+    t = default_t()
+    @species X3(t)
+    @parameters k3
+
+    # Declares valid initial conditions and parameter values
+    u0_valid = [X1 => 1, X2 => 2]
+    ps_valid = [k1 => 0.5, k2 => 0.1]
+
+    # Declares invalid initial conditions and parameters. This includes both cases where values are
+    # missing, or additional ones are given. Includes vector/Tuple/Dict forms.
+    u0s_invalid = [
+        # Missing a value.
+        [X1 => 1],
+        [rn.X1 => 1],
+        [:X1 => 1],
+        Dict([X1 => 1]),
+        Dict([rn.X1 => 1]),
+        Dict([:X1 => 1]),
+        (X1 => 1),
+        (rn.X1 => 1),
+        (:X1 => 1),
+        # Contain an additional value.
+        [X1 => 1, X2 => 2, X3 => 3],
+        [:X1 => 1, :X2 => 2, :X3 => 3],
+        Dict([X1 => 1, X2 => 2, X3 => 3]),
+        Dict([:X1 => 1, :X2 => 2, :X3 => 3]),
+        (X1 => 1, X2 => 2, X3 => 3),
+        (:X1 => 1, :X2 => 2, :X3 => 3)
+    ]
+    ps_invalid = [
+        # Missing a value.
+        [k1 => 1.0],
+        [rn.k1 => 1.0],
+        [:k1 => 1.0],
+        Dict([k1 => 1.0]),
+        Dict([rn.k1 => 1.0]),
+        Dict([:k1 => 1.0]),
+        (k1 => 1.0),
+        (rn.k1 => 1.0),
+        (:k1 => 1.0),
+        # Contain an additional value.
+        [k1 => 1.0, k2 => 2.0, k3 => 3.0],
+        [:k1 => 1.0, :k2 => 2.0, :k3 => 3.0],
+        Dict([k1 => 1.0, k2 => 2.0, k3 => 3.0]),
+        Dict([:k1 => 1.0, :k2 => 2.0, :k3 => 3.0]),
+        (k1 => 1.0, k2 => 2.0, k3 => 3.0),
+        (:k1 => 1.0, :k2 => 2.0, :k3 => 3.0)
+    ]
+
+    # Loops through all potential parameter sets, checking their inputs yield errors.
+    for ps in [ps_valid; ps_invalid], u0 in [u0_valid; u0s_invalid]
+        # Handles problems with/without tspan separately. Special check ensuring that valid inputs passes.
+        for XProblem in [ODEProblem, SDEProblem, DiscreteProblem]
+            if (ps == ps_valid) && (u0 == u0_valid)
+                XProblem(rn, u0, (0.0, 1.0), ps); @test true;
+            else
+                # Several of these cases do not throw errors (https://github.com/SciML/ModelingToolkit.jl/issues/2624).
+                @test_broken false
+                continue
+                @test_throws Exception XProblem(rn, u0, (0.0, 1.0), ps)
+            end
+        end
+        for XProblem in [NonlinearProblem, SteadyStateProblem]
+            if (ps == ps_valid) && (u0 == u0_valid)
+                XProblem(rn, u0, ps); @test true;
+            else
+                @test_broken false
+                continue
+                @test_throws Exception XProblem(rn, u0, ps)
+            end
+        end
+    end
+end