multiple fixes

Author: TorkelE

src/dsl.jl

@@ -84,8 +84,9 @@ This model also contains production and degradation reactions, where `0` denotes
 either no substrates or no products in a reaction.
 
 Options:
-In addition to reactions, the macro also supports "option" inputs. Each option is designated
-by a tag starting with a `@` followed by its input. A list of options can be found [here](https://docs.sciml.ai/Catalyst/stable/api/#api_dsl_options).
+In addition to reactions, the macro also supports "option" inputs (permitting e.g. the addition
+of observables). Each option is designated by a tag starting with a `@` followed by its input.
+A list of options can be found [here](https://docs.sciml.ai/Catalyst/stable/api/#api_dsl_options).
 """
 macro reaction_network(name::Symbol, network_expr::Expr)
     make_rs_expr(QuoteNode(name), network_expr)
@@ -198,8 +199,8 @@ function recursive_find_reactants!(ex::ExprValues, mult::ExprValues,
         # If the expression corresponds to a reactant on our list, increase its multiplicity.
         idx = findfirst(r.reactant == ex for r in reactants)
         if !isnothing(idx)
-            new_mult = processmult(+, mult, reactants[idx].stoichiometry)
-            reactants[idx] = DSLReactant(ex, new_mult)
+            newmult = processmult(+, mult, reactants[idx].stoichiometry)
+            reactants[idx] = DSLReactant(ex, newmult)
 
             # If the expression corresponds to a new reactant, add it to the list.
         else
@@ -210,12 +211,12 @@ function recursive_find_reactants!(ex::ExprValues, mult::ExprValues,
     elseif ex.args[1] == :*
         # The normal case (e.g. 3*X or 3*(X+Y)). Update the current multiplicity and continue.
         if length(ex.args) == 3
-            new_mult = processmult(*, mult, ex.args[2])
-            recursive_find_reactants!(ex.args[3], new_mult, reactants)
+            newmult = processmult(*, mult, ex.args[2])
+            recursive_find_reactants!(ex.args[3], newmult, reactants)
             # More complicated cases (e.g. 2*3*X). Yes, `ex.args[1:(end - 1)]` should start at 1 (not 2).
         else
-            new_mult = processmult(*, mult, Expr(:call, ex.args[1:(end - 1)]...))
-            recursive_find_reactants!(ex.args[end], new_mult, reactants)
+            newmult = processmult(*, mult, Expr(:call, ex.args[1:(end - 1)]...))
+            recursive_find_reactants!(ex.args[end], newmult, reactants)
         end
         # If we have encountered a sum of different reactants, apply recursion on each.
     elseif ex.args[1] == :+
@@ -243,11 +244,10 @@ end
 function extract_metadata(metadata_line::Expr)
     metadata = :([])
     for arg in metadata_line.args
-        if arg.head != :(=)
+        (arg.head != :(=)) &&
             error("Malformatted metadata line: $metadata_line. Each entry in the vector should contain a `=`.")
-        elseif !(arg.args[1] isa Symbol)
+        (arg.args[1] isa Symbol) ||
             error("Malformatted metadata entry: $arg. Entries left-hand-side should be a single symbol.")
-        end
         push!(metadata.args, :($(QuoteNode(arg.args[1])) => $(arg.args[2])))
     end
     return metadata
@@ -422,7 +422,7 @@ function push_reactions!(reactions::Vector{DSLReaction}, subs::ExprValues,
     lengs = (tup_leng(subs), tup_leng(prods), tup_leng(rate), tup_leng(metadata))
     maxl = maximum(lengs)
     if any(!(leng == 1 || leng == maxl) for leng in lengs)
-        throw("Malformed reaction, rate=$rate, subs=$subs, prods=$prods, metadata=$metadata.")
+        error("Malformed reaction, rate: $rate, subs: $subs, prods: $prods, metadata: $metadata.")
     end
 
     # Loops through each reaction encoded by the reaction's different components.
@@ -452,12 +452,12 @@ end
 function extract_syms(opts, vartype::Symbol)
     # If the corresponding option have been used, uses `Symbolics._parse_vars` to find all
     # variable within it (returning them in a vector).
-    if haskey(opts, vartype)
+    return if haskey(opts, vartype)
         ex = opts[vartype]
         vars = Symbolics._parse_vars(vartype, Real, ex.args[3:end])
-        return Vector{Union{Symbol, Expr}}(vars.args[end].args)
+        Vector{Union{Symbol, Expr}}(vars.args[end].args)
     else
-        return Union{Symbol, Expr}[]
+        Union{Symbol, Expr}[]
     end
 end
 
@@ -593,6 +593,14 @@ function get_rxexpr(rx::DSLReaction)
     return rx_constructor
 end
 
+# Recursively escape functions within equations of an equation written using user-defined functions.
+# Does not expand special function calls like "hill(...)" and differential operators.
+function escape_equation!(eqexpr::Expr, diffsyms)
+    eqexpr.args[2] = recursive_escape_functions!(eqexpr.args[2], diffsyms)
+    eqexpr.args[3] = recursive_escape_functions!(eqexpr.args[3], diffsyms)
+    eqexpr
+end
+
 ### DSL Option Handling ###
 
 # Finds the time independent variable, and any potential spatial independent variables.
@@ -856,7 +864,7 @@ end
 
 ### `@reaction` Macro & its Internals ###
 
-@doc raw"""
+"""
     @reaction
 
 Macro for generating a single [`Reaction`](@ref) object using a similar syntax as the `@reaction_network`
@@ -962,15 +970,6 @@ function recursive_escape_functions!(expr::ExprValues, diffsyms = [])
     expr
 end
 
-# Returns the length of a expression tuple, or 1 if it is not an expression tuple (probably
-# a Symbol/Numerical). This is used to handle bundled reaction (like `d, (X,Y) --> 0`).
-# Recursively escape functions in the right-hand-side of an equation written using user-defined functions. Special function calls like "hill(...)" are not expanded.
-function escape_equation!(eqexpr::Expr, diffsyms)
-    eqexpr.args[2] = recursive_escape_functions!(eqexpr.args[2], diffsyms)
-    eqexpr.args[3] = recursive_escape_functions!(eqexpr.args[3], diffsyms)
-    eqexpr
-end
-
 # Returns the length of a expression tuple, or 1 if it is not an expression tuple (probably a Symbol/Numerical).
 function tup_leng(ex::ExprValues)
     (typeof(ex) == Expr && ex.head == :tuple) && (return length(ex.args))

src/expression_utils.jl

@@ -26,15 +26,9 @@ end
 
 # Throws an error when a forbidden symbol is used.
 function forbidden_symbol_check(sym)
-    used_forbidden_syms = intersect(forbidden_symbols_error, sym)
-    isempty(used_forbidden_syms) && return
-    error("The following symbol(s) are used as species or parameters: $used_forbidden_syms, this is not permitted.")
-end
-
-# Checks that no symbol was sued for multiple purposes.
-function unique_symbol_check(syms)
-    allunique(syms)||
-        error("Reaction network independent variables, parameters, species, and variables must all have distinct names, but a duplicate has been detected. ")
+    used_forbidden_syms =
+    isempty(used_forbidden_syms) ||
+        error("The following symbol(s) are used as species or parameters: $used_forbidden_syms, this is not permitted.")
 end
 
 ### Catalyst-specific Expressions Manipulation ###

test/dsl/dsl_basic_model_construction.jl

@@ -189,7 +189,7 @@ let
             u0 = rnd_u0(networks[1], rng; factor)
             p = rnd_ps(networks[1], rng; factor)
             t = rand(rng)
-            
+
             @test f_eval(networks[1], u0, p, t) ≈ f_eval(networks[2], u0, p, t)
             @test jac_eval(networks[1], u0, p, t) ≈ jac_eval(networks[2], u0, p, t)
             @test g_eval(networks[1], u0, p, t) ≈ g_eval(networks[2], u0, p, t)
@@ -207,18 +207,18 @@ let
         (l3, l4), Y2 ⟷ Y3
         (l5, l6), Y3 ⟷ Y4
         c, Y4 → ∅
-    end    
+    end
 
     # Checks that the networks' functions evaluates equally for various randomised inputs.
     @unpack X1, X2, X3, X4, p, d, k1, k2, k3, k4, k5, k6 = network
     for factor in [1e-2, 1e-1, 1e0, 1e1, 1e2, 1e3]
         u0_1 = Dict(rnd_u0(network, rng; factor))
         p_1 = Dict(rnd_ps(network, rng; factor))
         u0_2 = [:Y1 => u0_1[X1], :Y2 => u0_1[X2], :Y3 => u0_1[X3], :Y4 => u0_1[X4]]
-        p_2 = [:q => p_1[p], :c => p_1[d], :l1 => p_1[k1], :l2 => p_1[k2], :l3 => p_1[k3], 
+        p_2 = [:q => p_1[p], :c => p_1[d], :l1 => p_1[k1], :l2 => p_1[k2], :l3 => p_1[k3],
                :l4 => p_1[k4], :l5 => p_1[k5], :l6 => p_1[k6]]
         t = rand(rng)
-        
+
         @test f_eval(network, u0_1, p_1, t) ≈ f_eval(differently_written_5, u0_2, p_2, t)
         @test jac_eval(network, u0_1, p_1, t) ≈ jac_eval(differently_written_5, u0_2, p_2, t)
         @test g_eval(network, u0_1, p_1, t) ≈ g_eval(differently_written_5, u0_2, p_2, t)
@@ -271,7 +271,7 @@ let
             u0 = rnd_u0(networks[1], rng; factor)
             p = rnd_ps(networks[1], rng; factor)
             t = rand(rng)
-            
+
             @test f_eval(networks[1], u0, p, t) ≈ f_eval(networks[2], u0, p, t)
             @test jac_eval(networks[1], u0, p, t) ≈ jac_eval(networks[2], u0, p, t)
             @test g_eval(networks[1], u0, p, t) ≈ g_eval(networks[2], u0, p, t)
@@ -293,7 +293,7 @@ let
         (sqrt(3.7), exp(1.9)), X4 ⟷ X1 + X2
     end
     push!(identical_networks_3, reaction_networks_standard[9] => no_parameters_9)
-    push!(parameter_sets, [:p1 => 1.5, :p2 => 1, :p3 => 2, :d1 => 0.01, :d2 => 2.3, :d3 => 1001, 
+    push!(parameter_sets, [:p1 => 1.5, :p2 => 1, :p3 => 2, :d1 => 0.01, :d2 => 2.3, :d3 => 1001,
                            :k1 => π, :k2 => 42, :k3 => 19.9, :k4 => 999.99, :k5 => sqrt(3.7), :k6 => exp(1.9)])
 
     no_parameters_10 = @reaction_network begin
@@ -305,14 +305,14 @@ let
         1.0, X5 ⟶ ∅
     end
     push!(identical_networks_3, reaction_networks_standard[10] => no_parameters_10)
-    push!(parameter_sets, [:p => 0.01, :k1 => 3.1, :k2 => 3.2, :k3 => 0.0, :k4 => 2.1, :k5 => 901.0, 
+    push!(parameter_sets, [:p => 0.01, :k1 => 3.1, :k2 => 3.2, :k3 => 0.0, :k4 => 2.1, :k5 => 901.0,
                            :k6 => 63.5, :k7 => 7, :k8 => 8, :d => 1.0])
 
     for (networks, p_1) in zip(identical_networks_3, parameter_sets)
         for factor in [1e-2, 1e-1, 1e0, 1e1, 1e2, 1e3]
             u0 = rnd_u0(networks[1], rng; factor)
             t = rand(rng)
-            
+
             @test f_eval(networks[1], u0, p_1, t) ≈ f_eval(networks[2], u0, [], t)
             @test jac_eval(networks[1], u0, p_1, t) ≈ jac_eval(networks[2], u0, [], t)
             @test g_eval(networks[1], u0, p_1, t) ≈ g_eval(networks[2], u0, [], t)
@@ -383,7 +383,7 @@ let
         τ = rand(rng)
         u = rnd_u0(reaction_networks_conserved[1], rng; factor)
         p_2 = rnd_ps(time_network, rng; factor)
-        p_1 = [p_2; reaction_networks_conserved[1].k1 => τ; 
+        p_1 = [p_2; reaction_networks_conserved[1].k1 => τ;
                reaction_networks_conserved[1].k4 => τ; reaction_networks_conserved[1].k5 => τ]
 
         @test f_eval(reaction_networks_conserved[1], u, p_1, τ) ≈ f_eval(time_network, u, p_2, τ)
@@ -463,7 +463,7 @@ let
     @test rn1 == rn2
 end
 
-# Tests arrow variants in `@reaction`` macro.
+# Tests arrow variants in `@reaction` macro.
 let
     @test isequal((@reaction k, 0 --> X), (@reaction k, X <-- 0))
     @test isequal((@reaction k, 0 --> X), (@reaction k, X ⟻ 0))
@@ -533,4 +533,4 @@ let
     @test_throws Exception @eval @reaction_network begin
         k, X^Y --> XY
     end
-end
+end

test/dsl/dsl_options.jl

@@ -417,23 +417,15 @@ let
     @test issetequal(species(rn), spcs)
 end
 
-# Tests errors in `@variables` declarations.
+# Tests error when disallowed name is used for variable.
 let
-    # Variable used as species in reaction.
-    @test_throws Exception @eval rn = @reaction_network begin
-        @variables K(t)
-        k, K + A --> B
-    end
-
-    # Tests error when disallowed name is used for variable.
     @test_throws Exception @eval @reaction_network begin
         @variables π(t)
     end
 end
 
 # Tests that explicitly declaring a single symbol as several things does not work.
 # Several of these are broken, but note sure how to test broken-ness on `@test_throws false Exception @eval`.
-# Relevant issue: https://github.com/SciML/Catalyst.jl/issues/1173
 let
     # Species + parameter.
     @test_throws Exception @eval @reaction_network begin
@@ -1150,14 +1142,6 @@ let
     end
 end
 
-# Erroneous `@default_noise_scaling` declaration (other noise scaling tests are mostly in the SDE file).
-let
-    # Default noise scaling with multiple entries.
-    @test_throws Exception @eval @reaction_network begin
-        @default_noise_scaling η1 η2
-    end
-end
-
 ### Other DSL Option Tests ###
 
 # test combinatoric_ratelaws DSL option
@@ -1264,6 +1248,14 @@ let
     @test isequal(Catalyst.expand_registered_functions(equations(rn4)[1]), D(A) ~ v*(A^n))
 end
 
+# Erroneous `@default_noise_scaling` declaration (other noise scaling tests are mostly in the SDE file).
+let
+    # Default noise scaling with multiple entries.
+    @test_throws Exception @eval @reaction_network begin
+        @default_noise_scaling η1 η2
+    end
+end
+
 ### test that @no_infer properly throws errors when undeclared variables are written ###
 
 import Catalyst: UndeclaredSymbolicError