TST #325

hkl/tests/test_save_restore_UB.py

@@ -10,11 +10,12 @@
 from ophyd.sim import hw
 
 import hkl.util
-from hkl import SI_LATTICE_PARAMETER
 from hkl import SimulatedE4CV
 from hkl import SimulatedK4CV
 from hkl.calc import A_KEV
 
+from .tools import sample_silicon
+
 
 class Fourc(SimulatedE4CV):
     ...
@@ -43,11 +44,10 @@ def fourc():
     fourc._update_calc_energy()
 
     fourc.energy.put(A_KEV / 1.54)
-    a0 = SI_LATTICE_PARAMETER
-    sample = fourc.calc.new_sample("Si", lattice=(a0, a0, a0, 90, 90, 90))
+    sample = sample_silicon(fourc)
     r_400 = sample.add_reflection(4, 0, 0, (-145.451, 0, 0, 69.0966))
     r_040 = sample.add_reflection(0, 4, 0, (-145.451, 0, 90, 69.0966))
-    fourc.calc.sample.compute_UB(r_400, r_040)
+    sample.compute_UB(r_400, r_040)
 
     return fourc
 
@@ -59,12 +59,11 @@ def kappa():
     kappa._update_calc_energy()
 
     kappa.energy.put(A_KEV / 1.54)
-    a0 = SI_LATTICE_PARAMETER
-    sample = kappa.calc.new_sample("Si", lattice=(a0, a0, a0, 90, 90, 90))
+    sample = sample_silicon(kappa)
     r_400 = sample.add_reflection(4, 0, 0, (55.4507, 0, 90, -69.0966))
     r_040 = sample.add_reflection(0, 4, 0, (-1.5950, 134.7568, 123.3554, -69.0966))
 
-    kappa.calc.sample.compute_UB(r_400, r_040)
+    sample.compute_UB(r_400, r_040)
 
     return kappa
 
@@ -117,13 +116,13 @@ def test_fourc_orientation_save(cat, RE, fourc):
         assert list(descriptors.keys()) == "coords attrs dims data_vars".split()
         for key in key_list:
             key_name = f"fourc_{key}"
-            assert hasattr(conf, key_name)
+            assert hasattr(conf, key_name), f"{key_name=!r} {list(conf)=!r}"
             assert key_name in descriptors["data_vars"]
 
         assert conf.fourc_class_name == "Fourc"
         assert conf.fourc_geometry_name == "E4CV"
         assert conf.fourc_diffractometer_name == "fourc"
-        assert conf.fourc_sample_name == "Si"
+        assert conf.fourc_sample_name == "silicon"
 
         assert len(conf.fourc__pseudos) == 1
         assert conf.fourc__pseudos[0].values.tolist() == "h k l".split()
@@ -150,7 +149,7 @@ def test_fourc_orientation_save(cat, RE, fourc):
                 assert conf["fourc_class_name"] == "Fourc"
                 assert conf["fourc_geometry_name"] == "E4CV"
                 assert conf["fourc_diffractometer_name"] == "fourc"
-                assert conf["fourc_sample_name"] == "Si"
+                assert conf["fourc_sample_name"] == "silicon"
 
                 assert len(conf["fourc__pseudos"]) == 3
                 assert conf["fourc__pseudos"] == "h k l".split()
@@ -163,6 +162,7 @@ def test_fourc_run_orientation_info(cat, RE, fourc):
     info = hkl.util.run_orientation_info(cat[1])
     assert info is not None
     assert isinstance(info, dict)
+    assert len(info) > 0, f"{info=!r}"
     assert "fourc" in info
     fourc_orient = info["fourc"]
     assert "orientation_attrs" in fourc_orient
@@ -185,10 +185,11 @@ def scans():
 
     RE(scans())
     runs = hkl.util.list_orientation_runs(cat)
+    assert len(runs) == 4, f"{runs=!r}"
     # four sets of orientation info
     # (last scan has 2, first scan has none)
-    assert len(runs.scan_id) == 4
-    assert 1 not in runs.scan_id.to_list()  # no orientation
+    # assert len(runs.scan_id) == 4
+    assert 1 not in runs.scan_id.to_list(), f"{runs=!r}"  # no orientation
     assert runs.scan_id.to_list() == [2, 3, 4, 4]
     assert runs.diffractometer_name.to_list() == "fourc kappa fourc kappa".split()
 
@@ -222,7 +223,7 @@ def scans():
         yield from bp.count([fourc])
 
     uids = RE(scans())
-    assert len(uids) == 1
+    assert len(uids) == 1, f"{uids=!r}"
     assert uids[0] in cat
 
     runs = hkl.util.list_orientation_runs(cat)
@@ -245,7 +246,11 @@ def scans():
 
 def test_restore_orientation(cat, RE, fourc):
     RE(bp.count([fourc]))
-    fourc_orient = hkl.util.run_orientation_info(cat[-1])["fourc"]
+    info = hkl.util.run_orientation_info(cat[-1])
+    assert isinstance(info, dict)
+
+    fourc_orient = info.get("fourc")
+    assert fourc_orient is not None, f"{fourc_orient=!r}"
 
     e4cv = Fourc("", name="e4cv")
     assert len(e4cv.calc._samples) == 1
@@ -254,7 +259,7 @@ def test_restore_orientation(cat, RE, fourc):
     hkl.util.restore_orientation(fourc_orient, e4cv)
     assert len(e4cv.calc._samples) == 2
     sample = e4cv.calc.sample
-    assert sample.name == "Si"
+    assert sample.name == "silicon"
     assert len(sample.reflections) == 2
     numpy.testing.assert_array_equal(sample.reflections, [[4, 0, 0], [0, 4, 0]])
     # fmt: off
@@ -313,7 +318,11 @@ def test_restore_orientation(cat, RE, fourc):
 
 def test_restore_sample(cat, RE, fourc):
     RE(bp.count([fourc]))
-    fourc_orient = hkl.util.run_orientation_info(cat[-1])["fourc"]
+    info = hkl.util.run_orientation_info(cat[-1])
+    assert isinstance(info, dict)
+
+    fourc_orient = info.get("fourc")
+    assert fourc_orient is not None, f"{fourc_orient=!r}"
 
     # Add sample to new diffractometer.
     e4cv = Fourc("", name="e4cv")
@@ -325,5 +334,5 @@ def test_restore_sample(cat, RE, fourc):
     # Sample already defined, will not make another.
     with pytest.raises(ValueError) as exinfo:
         hkl.util.restore_sample(fourc_orient, e4cv)
-    expected = "Sample 'Si' already exists in e4cv."
+    expected = "Sample 'silicon' already exists in e4cv."
     assert exinfo.value.args[0] == expected

hkl/tests/test_util.py

@@ -189,12 +189,14 @@ def test_issue215(cat, RE, fourc):
 
     orientation = util.run_orientation_info(cat[-1])
     assert isinstance(orientation, dict)
-    assert fourc.name in orientation
+    assert fourc.name in orientation, f"{list(orientation)=!r}"
     # assert list(orientation.keys()) == []
 
     orient = orientation[fourc.name]
-    assert orient["_reals"] != canonical_names
-    assert orient["_reals"] == our_names
+    reals = orient.get("_reals")
+    assert reals is not None, f"{orient=!r}"
+    assert reals != canonical_names
+    assert reals == our_names
     for reflection in orient["reflections_details"]:
         assert list(reflection["position"].keys()) == canonical_names
 

hkl/tests/tools.py

@@ -4,7 +4,9 @@
 Avoids direct imports of __init__.py.
 """
 
+import json
 import logging
+from pathlib import Path  # noqa
 
 import numpy
 from tiled.utils import safe_json_dump
@@ -28,6 +30,12 @@ def receiver(self, key, doc):
         self.raw[key] = doc
         self.safe_json[key] = safe_json_dump(doc)
 
+    def to_file(self, fpath: (Path, str), indent: int = 2) -> None:  # type: ignore
+        """Write collected docs to a file."""
+        with open(fpath, "w") as f:
+            dd = {k: json.loads(v.decode("utf8")) for k, v in self.safe_json.items()}
+            json.dump(dd, f, indent=indent)
+
 
 def new_sample(diffractometer, name, lattice):
     return diffractometer.calc.new_sample(name, lattice=lattice)
@@ -65,16 +73,20 @@ def validate_descriptor_doc_content(gname, descriptor):
     data = diffractometer_config.get("data")
     assert isinstance(data, dict)
 
-    assert isinstance(data[f"{gname}_sample_name"], str)
-    assert isinstance(data[f"{gname}_lattice"], (numpy.ndarray, list))
-    assert isinstance(data[f"{gname}_lattice_reciprocal"], (tuple, list))
-    assert isinstance(data[f"{gname}_U"], (numpy.ndarray, list))
-    assert isinstance(data[f"{gname}_UB"], (numpy.ndarray, list))
-    assert isinstance(data[f"{gname}_reflections_details"], list)
-    assert isinstance(data[f"{gname}__pseudos"], (tuple, list))
-    assert isinstance(data[f"{gname}__reals"], (tuple, list))
-    assert isinstance(data[f"{gname}__constraints"], (numpy.ndarray, list))
-    assert isinstance(data[f"{gname}_ux"], float)
-    assert isinstance(data[f"{gname}_uy"], float)
-    assert isinstance(data[f"{gname}_uz"], float)
-    assert isinstance(data[f"{gname}_orientation_attrs"], list)
+    attrs = [
+        ["sample_name", str],
+        ["lattice", (numpy.ndarray, list)],
+        ["lattice_reciprocal", (tuple, list)],
+        ["U", (numpy.ndarray, list)],
+        ["UB", (numpy.ndarray, list)],
+        ["reflections_details", list],
+        ["_pseudos", (tuple, list)],
+        ["_reals", (tuple, list)],
+        ["_constraints", (numpy.ndarray, list)],
+        ["ux", float],
+        ["uy", float],
+        ["uz", float],
+        ["orientation_attrs", list],
+    ]
+    for attr, struct in attrs:
+        assert isinstance(data.get(f"{gname}_{attr}"), struct), f"{attr=!r} {list(data)=!r}"