Generalized Thermo generation to enable Solution with arbitrary thermo

docs/src/api.md

@@ -25,6 +25,19 @@ Docstrings for Arrhenius.jl interface members can be [accessed through Julia's b
 :wdot_func
 ```
 ## Thermo Interface API
+
+The thermo functions can be called with the following functions.
+The ‘cal_‘ functions internally dispatch to
+
+```cal_phi(Solution,T,p,X) = cal_phi(Solution,Solution.thermo,T,p,X)```
+to enable the usage of different thermo modules.
+
+A new thermoModul should implement the dimless functions for cv, cp, h, a, g, s.
+with the inputs ‘cal_phi(Solution,Solution.thermo,T,p,X)‘.
+Then it should work with the rest of Arrenius. In the creation of a Solution object 
+the thermo model is generated by the function ‘MyThermo(yaml::Dict)‘, which must be available as well. If you specify the name of your Thermomodel in the yaml files phase 
+(e.g. ‘My‘ here or 'IdealGas') the code will automatically dispatch to the new thermomodel
+
 ```@autodocs
 Modules = [Arrhenius]
 Pages   = ["Thermo.jl"]

src/Solution.jl

@@ -1,3 +1,13 @@
+function read_species_basics(yaml)
+    n_species = length(yaml["phases"][1]["species"])
+    n_reactions = length(yaml["reactions"])
+    species_names = yaml["phases"][1]["species"]
+    elements = yaml["phases"][1]["elements"]
+    n_elements = length(elements)
+
+    ele_matrix = zeros(n_elements, n_species)
+    return n_species, n_reactions, species_names, elements, n_elements, ele_matrix
+end
 """
     CreateSolution(mech)
 
@@ -9,44 +19,18 @@ test for math enviroment
 function CreateSolution(mech)
     yaml = YAML.load_file(mech)
 
-
     #### Basics
+    n_species, n_reactions, species_names,
+    elements, n_elements, ele_matrix = read_species_basics(yaml)
 
-    n_species = length(yaml["phases"][1]["species"])
-    n_reactions = length(yaml["reactions"])
-    species_names = yaml["phases"][1]["species"]
-    elements = yaml["phases"][1]["elements"]
-    n_elements = length(elements)
-
-    ele_matrix = zeros(n_elements, n_species)
-
-
-    #### Thermodynamic data
-
-    nasa_low = zeros(n_species, 7)
-    nasa_high = zeros(n_species, 7)
-    Trange = zeros(n_species, 3)
-
-    _species_names =
-        [yaml["species"][i]["name"] for i = 1:length(yaml["species"])]
-
-    for (i, species) in enumerate(species_names)
-        spec = yaml["species"][findfirst(x -> x == species, _species_names)]
-        nasa_low[i, :] = spec["thermo"]["data"][1]
-        nasa_high[i, :] = spec["thermo"]["data"][2]
-        Trange[i, :] .= spec["thermo"]["temperature-ranges"]
-
-        for j = 1:n_elements
-            if haskey(spec["composition"], elements[j])
-                ele_matrix[j, i] = spec["composition"][elements[j]]
-            end
-        end
+    #### Thermo
+    if yaml["phases"][1]["thermo"]=="ideal-gas" # switch to work with Cantera standard
+        thermo = IdealGasThermo(yaml)
+    else
+        constructorThermo = Symbol(yaml["phases"][1]["thermo"],:Thermo)
+         thermo = @eval($constructorThermo)(yaml)
     end
 
-    isTcommon = (maximum(Trange[:, 2]) - minimum(Trange[:, 2])) < 0.01
-
-    thermo = IdealGasThermo(nasa_low, nasa_high, Trange, isTcommon)
-
 
     #### Kinetic data
 

src/Thermo/IdealGasThermo.jl

@@ -16,7 +16,37 @@ struct IdealGasThermo <: Thermo
     isTcommon::Bool
 
 end
+"""
+Constructor for the idealGasThermo:
+
+yaml:: Dict of the input yaml file
+"""
+function IdealGasThermo(yaml::AbstractDict)
+    n_species, n_reactions, species_names,
+    elements, n_elements, ele_matrix = read_species_basics(yaml)
+
+    nasa_low = zeros(n_species, 7)
+    nasa_high = zeros(n_species, 7)
+    Trange = zeros(n_species, 3)
 
+    _species_names =
+        [yaml["species"][i]["name"] for i = 1:length(yaml["species"])]
+
+    for (i, species) in enumerate(species_names)
+        spec = yaml["species"][findfirst(x -> x == species, _species_names)]
+        nasa_low[i, :] = spec["thermo"]["data"][1]
+        nasa_high[i, :] = spec["thermo"]["data"][2]
+        Trange[i, :] .= spec["thermo"]["temperature-ranges"]
+
+        for j = 1:n_elements
+            if haskey(spec["composition"], elements[j])
+                ele_matrix[j, i] = spec["composition"][elements[j]]
+            end
+        end
+    end
+    isTcommon = (maximum(Trange[:, 2]) - minimum(Trange[:, 2])) < 0.01
+    return  IdealGasThermo(nasa_low, nasa_high, Trange, isTcommon)
+end
 """
     cal_h_RT(gas, T, p, X)