fix rate coverage dependence

Author: mjohnson541

src/Calculators/RateCoverageDependence.jl

@@ -9,37 +9,45 @@ export EmptyRateCoverageDependence
 getcovdepactivationbarriercorrection(covdep::EmptyRateCoverageDependence,T,coverages) = 0.0
 getcovdepfactorcorrection(covdep::EmptyRateCoverageDependence,T,coverages) = 1.0
 
-export getcovdepactivationbarriercorrection
-export getcovdepfactorcorrection
-
 """
 Polynomial rate coefficient coverage dependence
 correction form is: 10^(sum(a_i*theta_k^i,i)) * theta_k^m * exp(sum(E_i*theta_k^i,i)/(RT))
 dictionaries map the name of the species (k) to polynomials with ordering a_1 + a_2 * theta + a_3 * theta^2 etc.
 Epolys corresponds to E_i (array of polynomial coefficients), avals corresponds to a_i (array of polynomial coefficients), 
 ms corresponds to m (float)
 """
-@with_kw struct PolynomialRateCoverageDependence{N,K,L} <: AbstractRateCoverageDependence
-    avals::Dict{String,L} = Dict()
-    Epolys::Dict{String,K} = Dict()
-    ms::Dict{String,L} = Dict()
-    indavals::Dict{N,L} = Dict()
-    indEpolys::Dict{N,K} = Dict()
-    indms::Dict{N,L} = Dict()
+@with_kw struct PolynomialRateCoverageDependence <: AbstractRateCoverageDependence
+    avals::Dict{String,Vector{Float64}} = Dict{String,Vector{Float64}}()
+    Epolys::Dict{String,Vector{Float64}} = Dict{String,Vector{Float64}}()
+    ms::Dict{String,Vector{Float64}} = Dict{String,Float64}()
+    indavals::Dict{Int64,Vector{Float64}} = Dict{Int64,Vector{Float64}}()
+    indEpolys::Dict{Int64,Vector{Float64}} = Dict{Int64,Vector{Float64}}()
+    indms::Dict{Int64,Vector{Float64}} = Dict{Int64,Float64}()
+end
+@inline function PolynomialRateCoverageDependence(Epolys,ms=Dict{String,Float64}(),avals=Dict{String,Vector{Float64}}())
+    return PolynomialRateCoverageDependence(;Epolys=Epolys,
+            ms=ms,avals=avals,indavals=Dict{Int64,Vector{Float64}}(),indEpolys=Dict{Int64,Vector{Float64}}(),
+            indms=Dict{Int64,Float64}())
 end
 @inline function getcovdepactivationbarriercorrection(covdep::PolynomialRateCoverageDependence,T,coverages)
-    if length(coverages) == 0
+    if coverages === nothing
+        return 0.0
+    elseif length(coverages) == 0
         return zero(typeof(coverages).parameters[1])
     end
     E = 0.0
+    
     for (ind,Epoly) in covdep.indEpolys
-        E += evalpoly(coverages[ind],indEpoly)
+        E += evalpoly(coverages[ind],Epoly)
     end
     return E
 end
+export getcovdepactivationbarriercorrection
 @inline function getcovdepfactorcorrection(covdep::PolynomialRateCoverageDependence,T,coverages)
-    if length(coverages) == 0
-        return zero(typeof(coverages).parameters[1])
+    if coverages === nothing
+        return 1.0
+    elseif length(coverages) == 0
+        return one(typeof(coverages).parameters[1])
     end
     av = 0.0
     for (ind,a) in covdep.indavals
@@ -55,7 +63,10 @@ end
     for (ind,m) in covdep.indms 
         A *= coverages[ind]^m
     end
-    
+
     return A
 end
-export PolynomialRateCoverageDependence
+export PolynomialRateCoverageDependence
+
+export getcovdepactivationbarriercorrection
+export getcovdepfactorcorrection