add proper grr parsing

Project.toml

@@ -1,18 +1,20 @@
 name = "JSONFBCModels"
 uuid = "475c1105-d6ed-49c1-9b32-c11adca6d3e8"
-authors = ["Mirek Kratochvil <[email protected]>"]
-version = "0.1.0"
+authors = ["The authors of JSONFBCModels.jl"]
+version = "0.1.1"
 
 [deps]
 AbstractFBCModels = "5a4f3dfa-1789-40f8-8221-69268c29937c"
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
 JSON = "682c06a0-de6a-54ab-a142-c8b1cf79cde6"
+PikaParser = "3bbf5609-3e7b-44cd-8549-7c69f321e792"
 SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 
 [compat]
 AbstractFBCModels = "0.1, 0.2"
 DocStringExtensions = "0.8, 0.9"
 JSON = "0.21"
+PikaParser = "0.6"
 SparseArrays = "1"
 Test = "1"
 julia = "1"

src/JSONFBCModels.jl

@@ -12,5 +12,6 @@ include("constants.jl")
 include("interface.jl")
 include("io.jl")
 include("utils.jl")
+include("grr_utils.jl")
 
 end

src/grr_utils.jl

@@ -0,0 +1,186 @@
+
+import PikaParser as PP
+
+"""
+`PikaParser.jl` grammar for stringy GRR expressions.
+"""
+const grr_grammar = begin
+    # characters that typically form the identifiers
+    isident(x::Char) =
+        isletter(x) ||
+        isdigit(x) ||
+        x == '_' ||
+        x == '-' ||
+        x == ':' ||
+        x == '.' ||
+        x == '\'' ||
+        x == '[' ||
+        x == ']'
+
+    # scanner helpers
+    eat(p) = m -> begin
+        last = 0
+        for i in eachindex(m)
+            p(m[i]) || break
+            last = i
+        end
+        last
+    end
+
+    # eat one of keywords
+    kws(w...) = m -> begin
+        last = eat(isident)(m)
+        m[begin:last] in w ? last : 0
+    end
+
+    PP.make_grammar(
+        [:expr],
+        PP.flatten(
+            Dict(
+                :space => PP.first(PP.scan(eat(isspace)), PP.epsilon),
+                :id => PP.scan(eat(isident)),
+                :orop =>
+                    PP.first(PP.tokens("||"), PP.token('|'), PP.scan(kws("OR", "or"))),
+                :andop => PP.first(
+                    PP.tokens("&&"),
+                    PP.token('&'),
+                    PP.scan(kws("AND", "and")),
+                ),
+                :expr => PP.seq(:space, :orexpr, :space, PP.end_of_input),
+                :orexpr => PP.first(
+                    :or => PP.seq(:andexpr, :space, :orop, :space, :orexpr),
+                    :andexpr,
+                ),
+                :andexpr => PP.first(
+                    :and => PP.seq(:baseexpr, :space, :andop, :space, :andexpr),
+                    :baseexpr,
+                ),
+                :baseexpr => PP.first(
+                    :id,
+                    :parenexpr => PP.seq(
+                        PP.token('('),
+                        :space,
+                        :orexpr,
+                        :space,
+                        PP.token(')'),
+                    ),
+                ),
+            ),
+            Char,
+        ),
+    )
+end
+
+grr_grammar_open(m, _) =
+    m.rule == :expr ? Bool[0, 1, 0, 0] :
+    m.rule == :parenexpr ? Bool[0, 0, 1, 0, 0] :
+    m.rule in [:or, :and] ? Bool[1, 0, 0, 0, 1] :
+    m.rule in [:andexpr, :orexpr, :notexpr, :baseexpr] ? Bool[1] :
+    (false for _ in m.submatches)
+
+grr_grammar_fold(m, _, subvals) =
+    m.rule == :id ? Expr(:call, :gene, String(m.view)) :
+    m.rule == :and ? Expr(:call, :and, subvals[1], subvals[5]) :
+    m.rule == :or ? Expr(:call, :or, subvals[1], subvals[5]) :
+    m.rule == :parenexpr ? subvals[3] :
+    m.rule == :expr ? subvals[2] : isempty(subvals) ? nothing : subvals[1]
+
+"""
+$(TYPEDSIGNATURES)
+
+Parses a JSON-ish data reference to a `Expr`-typed gene association. Contains
+"calls" to `gene`, `and` and `or` functions that describe the association.
+"""
+function parse_gene_association(str::String)::Maybe{Expr}
+    all(isspace, str) && return nothing
+    tree = PP.parse_lex(grr_grammar, str)
+    match = PP.find_match_at!(tree, :expr, 1)
+    match > 0 || throw(DomainError(str, "cannot parse GRR"))
+    PP.traverse_match(tree, match, open = grr_grammar_open, fold = grr_grammar_fold)
+end
+
+"""
+$(TYPEDSIGNATURES)
+
+Evaluate the gene association expression with the reference values given by the
+`val` function.
+"""
+function eval_gene_association(ga::Expr, val::Function)::Bool
+    (ga.head == :call && length(ga.args) >= 2) ||
+        throw(DomainError(ga, "invalid gene association expr"))
+    if ga.args[1] == :gene && length(ga.args) == 2
+        val(ga.args[2])
+    elseif ga.args[1] == :and
+        all(eval_gene_association.(ga.args[2:end], Ref(val)))
+    elseif ga.args[1] == :or
+        any(eval_gene_association.(ga.args[2:end], Ref(val)))
+    else
+        throw(DomainError(ga, "unsupported gene association function"))
+    end
+end
+
+"""
+$(TYPEDSIGNATURES)
+
+A helper for producing predictable unique sequences. Might be faster if
+compacting would be done directly in sort().
+"""
+function sortunique(x)
+    o = collect(x)
+    sort!(o)
+    put = prevind(o, firstindex(o))
+    for i in eachindex(o)
+        if put >= firstindex(o) && o[i] == o[put]
+            # we already have this one
+            continue
+        else
+            put = nextind(o, put)
+            if put != i
+                o[put] = o[i]
+            end
+        end
+    end
+    o[begin:put]
+end
+
+"""
+$(TYPEDSIGNATURES)
+
+Convert the given gene association expression to DNF.
+"""
+function flatten_gene_association(ga::Expr)::A.GeneAssociationDNF
+    function fold_and(dnfs::Vector{Vector{Vector{String}}})::Vector{Vector{String}}
+        if isempty(dnfs)
+            [String[]]
+        else
+            sortunique(
+                sortunique(String[l; r]) for l in dnfs[1] for r in fold_and(dnfs[2:end])
+            )
+        end
+    end
+
+    (ga.head == :call && length(ga.args) >= 2) ||
+        throw(DomainError(ga, "invalid gene association expr"))
+    if ga.args[1] == :gene && length(ga.args) == 2
+        [[ga.args[2]]]
+    elseif ga.args[1] == :and
+        fold_and(flatten_gene_association.(ga.args[2:end]))
+    elseif ga.args[1] == :or
+        sortunique(vcat(flatten_gene_association.(ga.args[2:end])...))
+    else
+        throw(DomainError(ga, "unsupported gene association function"))
+    end
+end
+
+"""
+$(TYPEDSIGNATURES)
+
+Formats a DNF gene association as a `String`.
+"""
+function format_gene_association_dnf(
+    grr::A.GeneAssociationDNF;
+    and = " && ",
+    or = " || ",
+)::String
+    return join(("(" * join(gr, and) * ")" for gr in grr), or)
+end

src/interface.jl

@@ -90,12 +90,25 @@ A.objective(model::JSONFBCModel) = sparsevec(
     Float64[float(get(rxn, "objective_coefficient", 0.0)) for rxn in model.reactions],
 )
 
-A.reaction_gene_products_available(model::JSONFBCModel, rid::String, available::Function) =
-    A.reaction_gene_products_available_from_dnf(model, rid, available)
-
-A.reaction_gene_association_dnf(model::JSONFBCModel, rid::String) = parse_grr(
-    get(model.reactions[model.reaction_index[rid]], "gene_reaction_rule", nothing),
+function A.reaction_gene_products_available(
+    model::JSONFBCModel,
+    rid::String,
+    available::Function,
 )
+    x = get(model.reactions[model.reaction_index[rid]], "gene_reaction_rule", nothing)
+    isnothing(x) && return nothing
+    x = parse_gene_association(x)
+    isnothing(x) && return nothing
+    eval_gene_association(x, available)
+end
+
+function A.reaction_gene_association_dnf(model::JSONFBCModel, rid::String)
+    x = get(model.reactions[model.reaction_index[rid]], "gene_reaction_rule", nothing)
+    isnothing(x) && return nothing
+    x = parse_gene_association(x)
+    isnothing(x) && return nothing
+    flatten_gene_association(x)
+end
 
 A.metabolite_formula(model::JSONFBCModel, mid::String) =
     parse_formula(get(model.metabolites[model.metabolite_index[mid]], "formula", nothing))
@@ -188,7 +201,7 @@ function Base.convert(::Type{JSONFBCModel}, mm::A.AbstractFBCModel)
 
             grr = A.reaction_gene_association_dnf(mm, rid)
             if !isnothing(grr)
-                res["gene_reaction_rule"] = unparse_grr(grr)
+                res["gene_reaction_rule"] = format_gene_association_dnf(grr)
             end
 
             res["lower_bound"] = lbs[ri]

src/utils.jl

@@ -5,20 +5,6 @@ extract_json_metabolite_id(m, i) = string(get(m, "id", "met$i"))
 
 extract_json_gene_id(g, i) = string(get(g, "id", "gene$i"))
 
-function parse_grr(str::Maybe{String})
-    isnothing(str) && return nothing
-    isempty(str) && return nothing
-
-    dnf = A.GeneAssociationDNF()
-    for isozyme in string.(split(str, " or "))
-        push!(
-            dnf,
-            string.(split(replace(isozyme, "(" => "", ")" => "", " and " => " "), " ")),
-        )
-    end
-    return dnf
-end
-
 function parse_formula(x::Maybe{String})
     isnothing(x) && return nothing
     x == "" && return nothing
@@ -66,8 +52,3 @@ function unparse_formula(x::Maybe{A.MetaboliteFormula})
     ks = sort(collect(keys(x)))
     join(k * string(x[k]) for k in ks)
 end
-
-function unparse_grr(xs::Maybe{A.GeneAssociationDNF})
-    isnothing(xs) && return nothing
-    join((join(x, " and ") for x in xs), " or ")
-end

test/misc.jl

@@ -13,7 +13,8 @@
 end
 
 @testset "Corner cases" begin
-    import JSONFBCModels: parse_charge
+    import JSONFBCModels:
+        eval_gene_association, flatten_gene_association, parse_charge, sortunique
 
     @test parse_charge(1) == 1
     @test parse_charge(2.0) == 2
@@ -22,4 +23,7 @@ end
     @test parse_charge(nothing) == nothing
     @test_throws ArgumentError parse_charge("totally positive charge")
     @test_throws DomainError parse_charge(["very charged"])
+    @test_throws DomainError eval_gene_association(:(xor(gene("a"), gene("b"))), _ -> false)
+    @test_throws DomainError flatten_gene_association(:(xor(gene("a"), gene("b"))))
+    @test sortunique([3, 2, 2, 1]) == [1, 2, 3]
 end