Fix load_nxs with recent JLD2 (#338)

SunnySuite · Dec 5, 2024 · b3aaa27 · b3aaa27
1 parent 29d570f
commit b3aaa27
Show file tree

Hide file tree

Showing 5 changed files with 22 additions and 3 deletions.
diff --git a/docs/src/versions.md b/docs/src/versions.md
@@ -12,6 +12,7 @@
   [SeeK-path](http://www.materialscloud.org/tools/seekpath/).
 * Add prototype function [`view_qspace`](@ref) for visualizing reciprocal-space
   objects in the context of the first Brillouin zone.
+* Fix `load_nxs` for compatibility with recent JLD2.
 
 ## v0.7.3
 (Nov 12, 2024)

diff --git a/src/Binning/ExperimentData.jl b/src/Binning/ExperimentData.jl
@@ -76,7 +76,7 @@ function load_nxs(filename; field="signal")
                 transform_from_orig = file["MDHistoWorkspace"]["transform_from_orig"]
                 transform_from_orig = reshape(transform_from_orig, 5, 5)
                 transform_from_orig = transform_from_orig'
-                
+
                 # U: Orthogonal rotation matrix
                 # B: inv(lattice_vectors(...)) matrix, as in Sunny
                 # The matrix stored in the file is transpose of U * B
@@ -105,7 +105,7 @@ function load_nxs(filename; field="signal")
 
         signal = file["MDHistoWorkspace"]["data"][field]
 
-        axes = Dict(JLD2.load_attributes(file, "MDHistoWorkspace/data/signal"))[:axes]
+        axes = JLD2.load_attributes(file, "MDHistoWorkspace/data/signal")["axes"]
 
         # Axes are just stored backwards in Mantid .nxs for some reason
         axes_names = reverse(split(axes,":"))
@@ -118,7 +118,7 @@ function load_nxs(filename; field="signal")
         spatial_covector_ixs = [0,0,0]
         std = x -> sqrt(sum((x .- sum(x) ./ length(x)).^2))
         for (i, name) in enumerate(axes_names)
-            long_name = Dict(JLD2.load_attributes(file, "MDHistoWorkspace/data/$name"))[:long_name]
+            long_name = JLD2.load_attributes(file, "MDHistoWorkspace/data/$name")["long_name"]
 
             if long_name == "DeltaE"
                 covectors[i,:] .= [0,0,0,1] # energy covector

diff --git a/test/Project.toml b/test/Project.toml
@@ -1,5 +1,6 @@
 [deps]
 Aqua = "4c88cf16-eb10-579e-8560-4a9242c79595"
+CodecZlib = "944b1d66-785c-5afd-91f1-9de20f533193"
 Ewalder = "2efd4204-53b6-4d30-8cf4-11a055f037eb"
 ExplicitImports = "7d51a73a-1435-4ff3-83d9-f097790105c7"
 FiniteDifferences = "26cc04aa-876d-5657-8c51-4c34ba976000"

diff --git a/test/nxs/1Dcut_sym_0p00T_K.nxs b/test/nxs/1Dcut_sym_0p00T_K.nxs
diff --git a/test/test_nxs.jl b/test/test_nxs.jl
@@ -0,0 +1,17 @@
+@testitem "load_nxs" begin
+    import CodecZlib, IOCapture
+
+    filename = joinpath(@__DIR__, "nxs", "1Dcut_sym_0p00T_K.nxs")
+
+    # Discard warnings
+    capt = IOCapture.capture() do
+        load_nxs(filename)
+    end
+    params, signal = capt.value
+
+    @test isapprox(params.binstart, [-0.05, 0.617, -0.25, -0.1]; atol=1e-7)
+    @test isapprox(params.binend, [0.0, 0.667, 0.0, 0.6]; atol=1e-7)
+    @test isapprox(params.binwidth, [0.1, 0.1, 0.5, 0.008]; atol=1e-7)
+    @test params.covectors == [ 1.0  0.5  0.0  0.0; 0.0  1.0  0.0  0.0; 0.0  0.0  1.0  0.0; 0.0  0.0  0.0  1.0]
+    @test signal[5:10] ≈ [0.0002707771, 0.0001276792, 0.0002237122, 0.0015903557, 0.0177874433, 0.0950909946]
+end