2d harmonics update

ACEsuit · Jun 6, 2024 · f44580a · f44580a
1 parent e33fc5e
commit f44580a
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Showing 5 changed files with 10 additions and 6 deletions.
diff --git a/src/Polynomials4ML.jl b/src/Polynomials4ML.jl
@@ -52,11 +52,11 @@ include("jacobiweights.jl")
 include("monomials.jl")
 include("chebbasis.jl")
 
-#=
 # 2d harmonics / trigonometric polynomials 
 include("trig.jl")
 include("rtrig.jl")
 
+#=
 # 3d harmonics 
 include("sphericalharmonics/sphericalharmonics.jl")
 
@@ -74,13 +74,13 @@ include("linear.jl")
 
 # generic machinery for wrapping poly4ml bases into lux layers 
 include("lux.jl")
+=#
 
 # basis components to implement cluster expansion methods
-include("ace/ace.jl")
+# include("ace/ace.jl")
 
 # some nice utility functions to generate basis sets and other things  
 include("utils/utils.jl")
-=#
 
 # submodule with some useful utilities for writing unit tests 
 include("testing.jl")

diff --git a/src/rtrig.jl b/src/rtrig.jl
@@ -1,4 +1,3 @@
-using HyperDualNumbers: Hyper
 
 export RTrigBasis
 
@@ -31,6 +30,8 @@ function natural_indices(basis::RTrigBasis)
 end
 
 _valtype(basis::RTrigBasis, T::Type{<: Real}) = T
+
+using HyperDualNumbers: Hyper
 _valtype(::RTrigBasis, T::Type{<: Hyper{<: Real}}) = T
 
 ##

diff --git a/src/trig.jl b/src/trig.jl
@@ -26,6 +26,8 @@ index(basis::CTrigBasis, m::Integer) =
 Base.length(basis::CTrigBasis) = 2 * basis.N + 1 
 
 _valtype(basis::CTrigBasis, T::Type{<: Real}) = complex(T)
+
+using HyperDualNumbers: Hyper 
 _valtype(::CTrigBasis, T::Type{<: Hyper{<: Real}}) = complex(T)
 
 # ----------------- main evaluation code 

diff --git a/src/utils/hyper.jl b/src/utils/hyper.jl
@@ -2,4 +2,5 @@
 using HyperDualNumbers: Hyper
 
 ## ---------- HyperDualNumbers utils ---------
-Base.atan(y::Hyper{T}, x::Hyper{T}) where {T} = atan(y/x)*(x != 0) + (1-2*(y<0))*(pi*(x<0) + 1/2*pi*(x==0))
+Base.atan(y::Hyper{T}, x::Hyper{T}) where {T} = 
+      atan(y/x)*(x != 0) + (1-2*(y<0))*(pi*(x<0) + 1/2*pi*(x==0))
diff --git a/test/runtests.jl b/test/runtests.jl
@@ -8,11 +8,11 @@ using Test
     @testset "DiscreteWeights" begin include("test_discreteweights.jl"); end
     @testset "Chebyshev" begin include("test_cheb.jl"); end 
 
-    #=
     # 2D Harmonics 
     @testset "TrigonometricPolynomials" begin include("test_trig.jl"); end
     @testset "Real Trig Polys" begin include("test_rtrig.jl"); end
 
+    #=
     # 3D Harmonics 
     @testset "Complex SphericalHarmonics" begin include("sphericalharmonics/test_cylm.jl"); end
     @testset "Real Spherical Harmonics" begin include("sphericalharmonics/test_rylm.jl"); end