From 7715bf57245a2361c907ecea4f13fe40b2865032 Mon Sep 17 00:00:00 2001
From: "James.Hester" <jxh@ansto.gov.au>
Date: Mon, 30 Oct 2023 14:26:31 +1100
Subject: [PATCH] Add missing test file

---
 test/data_and_dictionaries.jl | 54 +++++++++++++++++++++++++++++++++++
 1 file changed, 54 insertions(+)
 create mode 100644 test/data_and_dictionaries.jl

diff --git a/test/data_and_dictionaries.jl b/test/data_and_dictionaries.jl
new file mode 100644
index 0000000..3ecc02f
--- /dev/null
+++ b/test/data_and_dictionaries.jl
@@ -0,0 +1,54 @@
+# Test combinations of data and dictionaries
+
+prepare_dd() = begin
+    t = DDLm_Dictionary(joinpath(@__PATH__,"cif_core.dic"))
+    n = first(Cif(joinpath(@__PATH__,"nick1.cif"))).second
+    return t,n
+end
+
+is_looped(b, n) = any(x -> n in x, CrystalInfoFramework.get_loop_names(b))
+
+@testset "Data with dictionaries" begin
+
+    # Check simple utilities
+    
+    t, n = prepare_dd()
+    @test has_category(n, "cell", t)
+    @test !has_category(n,"geom_angle", t)
+    ln = CrystalInfoFramework.get_loop_names(n, "refln", t)
+    @test setdiff(ln, ["_refln.index_h",                   
+                       "_refln.index_k",                  
+                       "_refln.index_l",
+                       "_refln.f_meas",                    
+                       "_refln.f_calc"]) == []
+
+    # Check that we can loop set items
+    
+    @test !is_looped(n, "_cell.length_a")
+    make_set_loops!(n, t)
+    @test is_looped(n, "_cell.length_a")
+    l = get_loop(n, "_cell.length_a")
+    @test "_cell.volume" in names(l)
+    @test count_rows(n, "cell", t) == 1
+
+    # Add missing keys
+
+    n["_diffrn.id"] = ["xyz"]
+    add_child_keys!(n, "_diffrn.id", t)
+    @test n["_cell.diffrn_id"] == ["xyz"]
+
+end
+
+@testset "Merging blocks" begin
+    t = DDLm_Dictionary(joinpath(@__PATH__,"cif_core.dic"))
+    n = Cif(joinpath(@__PATH__,"nick1_mergeable.cif"))
+    println("About to merge blocks")
+    merge_blocks!(n,t)
+    f = first(n).second
+    @test length(f["_diffrn_radiation.type"]) == 2
+    @test length(f["_reflns.apply_dispersion_to_fcalc"]) == 1
+    @test haskey(f,"_atom_site.diffrn_id")
+    @test length(unique(f["_atom_site.diffrn_id"])) == 2
+    dids = f["_diffrn.id"]
+    @test length(setdiff(unique(f["_cell.diffrn_id"]),dids)) == 0
+end