Merge pull request #6 from stillyslalom/overhaul

Switch from PyCall/Conda to PythonCall/CondaPkg

.gitignore

@@ -2,3 +2,4 @@
 /docs/build/
 /docs/Manifest.toml
 /deps/build.log
+.CondaPkg/

CondaPkg.toml

@@ -0,0 +1,4 @@
+
+[deps.thermo]
+channel = "conda-forge"
+version = "0.1.40"

Project.toml

@@ -4,15 +4,13 @@ authors = ["Alex Ames <[email protected]> and contributors"]
 version = "0.2.0"
 
 [deps]
-Conda = "8f4d0f93-b110-5947-807f-2305c1781a2d"
+CondaPkg = "992eb4ea-22a4-4c89-a5bb-47a3300528ab"
 Markdown = "d6f4376e-aef5-505a-96c1-9c027394607a"
 Printf = "de0858da-6303-5e67-8744-51eddeeeb8d7"
-PyCall = "438e738f-606a-5dbb-bf0a-cddfbfd45ab0"
+PythonCall = "6099a3de-0909-46bc-b1f4-468b9a2dfc0d"
 Unitful = "1986cc42-f94f-5a68-af5c-568840ba703d"
 
 [compat]
-Conda = "1.4"
-PyCall = "1.92"
 Unitful = "1.6"
 julia = "1.6"
 

src/PyThermo.jl

@@ -1,6 +1,6 @@
 module PyThermo
 
-using PyCall 
+using PythonCall
 using Printf
 using Unitful
 
@@ -50,7 +50,7 @@ P : pressure of the chemical (default 101325 Pa)
 
 Examples
 --------
-```jldoctest
+```jldoctest pythermo; setup = :(using PyThermo)
 julia> He = Species("He")
 Species(He, 298.1 K, 1.013e+05 Pa)
 
@@ -63,7 +63,7 @@ julia> He.T = 30u"K"
 30 K
 
 julia> density(He)
-1.6235030074934973 kg m^-3
+1.623503007493497 kg m^-3
 ```
 
 A wide variety of unexported properties can be accessed from the underlying Python object:
@@ -89,7 +89,7 @@ Carcinogen_sources                S_int_l_Tm_to_Tb                   __setattr__
 ```
 """
 struct Species <: Chemical
-    o::PyObject
+    o::Py
 end
 Species(chemname::String; kwargs...) = Species(PY_CHEM.Chemical(chemname; _SI_TP(kwargs)...))
 
@@ -117,16 +117,16 @@ The composition can also be specified by providing a vector of `"ID" => molefrac
 
 Examples
 --------
-```jldoctest
+```jldoctest; setup = :(using PyThermo)
 julia> air = Mixture(["N2" => 0.78, "O2" => 0.21, "Ar" => 0.01])
-Mixture({N2: 0.78, O2: 0.21, Ar: 0.01}, 298.1 K, 1.013e+05 Pa)
+Mixture(78% nitrogen, 21% oxygen, 1% argon, 298.1 K, 1.013e+05 Pa)
 
 julia> soundspeed(air)
-346.1466532754559 m s^-1
+346.14659461295173 m s^-1
 ```
 """
 struct Mixture <: Chemical
-    o::PyObject
+    o::Py
 end
 Mixture(chemnames::Vector{String}; kwargs...) = Mixture(PY_CHEM.Mixture(chemnames; _SI_TP(kwargs)...))
 
@@ -157,24 +157,24 @@ composition_string(s::Species) = s.name
 
 Base.show(io::IO, mix::Mixture) = @printf(io, "Mixture(%s, %0.1f K, %0.3e Pa)", composition_string(mix), mix.T, mix.P)
 
-PyObject(c::Chemical) = getfield(c, :o)
-convert(::Type{T}, o::PyCall.PyObject) where {T <: Chemical} = T(o)
-==(c1::Chemical, c2::Chemical) = PyObject(c1) == PyObject(c2)
-hash(c::Chemical) = hash(PyObject(c))
-Base.copy(c::T) where {T <: Chemical} = T(PY_COPY.copy(PyObject(c)))
+Py(c::Chemical) = getfield(c, :o)
+convert(::Type{T}, o::PythonCall.Py) where {T <: Chemical} = T(o)
+==(c1::Chemical, c2::Chemical) = Py(c1) == Py(c2)
+hash(c::Chemical) = hash(Py(c))
+Base.copy(c::T) where {T <: Chemical} = T(PY_COPY.copy(Py(c)))
 
-Base.Docs.doc(c::Chemical) = Base.Docs.doc(PyObject(c))
-Base.Docs.Binding(c::Chemical, s::Symbol) = Base.Docs.Binding(PyObject(c), s)
+Base.Docs.doc(c::Chemical) = Base.Docs.doc(Py(c))
+Base.Docs.Binding(c::Chemical, s::Symbol) = Base.Docs.Binding(Py(c), s)
 
-Base.getproperty(c::Chemical, s::Symbol) = getproperty(PyObject(c), s)
-Base.setproperty!(c::Chemical, s::Symbol, x) = setproperty!(PyObject(c), s, x)
-Base.hasproperty(c::Chemical, s::Symbol) = hasproperty(PyObject(c), s)
-Base.propertynames(c::Chemical) = propertynames(PyObject(c))
-haskey(c::Chemical, x) = haskey(PyObject(c), x)
+Base.getproperty(c::Chemical, s::Symbol) = pyconvert(Any, getproperty(Py(c), s))
+Base.setproperty!(c::Chemical, s::Symbol, x) = setproperty!(Py(c), s, x)
+Base.hasproperty(c::Chemical, s::Symbol) = hasproperty(Py(c), s)
+Base.propertynames(c::Chemical) = propertynames(Py(c))
+haskey(c::Chemical, x) = haskey(Py(c), x)
 
 # Strip units for unitful `setproperty`
-Base.setproperty!(c::Chemical, s::Symbol, T::Unitful.Temperature) = setproperty!(PyObject(c), s, _unit(T, u"K"))
-Base.setproperty!(c::Chemical, s::Symbol, T::Unitful.Pressure) = setproperty!(PyObject(c), s, _unit(T, u"Pa"))
+Base.setproperty!(c::Chemical, s::Symbol, T::Unitful.Temperature) = setproperty!(Py(c), s, _unit(T, u"K"))
+Base.setproperty!(c::Chemical, s::Symbol, T::Unitful.Pressure) = setproperty!(Py(c), s, _unit(T, u"Pa"))
 
 
 # Thermodynamic property accessors
@@ -190,7 +190,7 @@ include("ShockTube.jl")
 
 if ccall(:jl_generating_output, Cint, ()) == 1
     __init__()
-    ShockTube.shockcalc(Species("N2"), Mixture(["N2" => 0.78, "O2" => 0.21, "Ar" => 0.01]), 1.8)
+    # ShockTube.shockcalc(Species("N2"), Mixture(["N2" => 0.78, "O2" => 0.21, "Ar" => 0.01]), 1.8)
 end
 
 end # module

src/init.jl

@@ -2,12 +2,12 @@
 # initialize them here (rather than via "global foo = ..." in __init__)
 # so that their type is known at compile-time.
 
-const PY_THERMO = PyNULL()
-const PY_CHEM = PyNULL()
-const PY_COPY = PyNULL()
+const PY_THERMO = PythonCall.pynew()
+const PY_CHEM = PythonCall.pynew()
+const PY_COPY = PythonCall.pynew()
 
 function __init__()
-    copy!(PY_THERMO, pyimport_conda("thermo", "thermo", "conda-forge"))
-    copy!(PY_CHEM, pyimport("thermo.chemical"))
-    copy!(PY_COPY, pyimport("copy"))
+    PythonCall.pycopy!(PY_THERMO, pyimport("thermo"))
+    PythonCall.pycopy!(PY_CHEM, PY_THERMO.chemical)
+    PythonCall.pycopy!(PY_COPY, pyimport("copy"))
 end

test/runtests.jl

@@ -2,10 +2,8 @@ using PyThermo
 using Test
 using PyThermo.ShockTube: shockcalc
 using Unitful
-using Conda
 
 @testset "PyThermo.jl" begin
-    @test Conda.version("thermo") <= v"0.1.40"
 
     @testset "Species" begin
         SF6 = Species("SF6")
@@ -17,7 +15,7 @@ using Conda
         HeAce = Mixture(["Helium" => 0.95, "Acetone" => 0.05])
         ρ_HeAce = HeAce.rho
         @test !isnothing(ρ_HeAce)
-        @test isapprox(ρ_HeAce, 0.2747138795604815, rtol=2e-3)
+        @test isapprox(ρ_HeAce, 0.2747138795604815, rtol=3e-3)
     end
 end