MNT #289 append (not replace) reflections when clear=False

hkl/configuration.py

@@ -33,7 +33,6 @@
 
 import datetime
 import json
-import math
 import pathlib
 import typing
 from dataclasses import asdict
@@ -215,25 +214,6 @@ def validate(self, dc_obj):
             _check_range(value, AX_MIN, AX_MAX, f"real-space axis {axis}")
         # do not validate 'flag' (not used in hklpy)
 
-    def find(self, sample):
-        """Find this reflection in the sample's reflections.  Return None if not found."""
-
-        def equal(a, b):
-            return math.isclose(a, b, abs_tol=EQUAL_TOLERANCE)
-
-        for sref in sample._sample.reflections_get():
-            rdict = sample._get_reflection_dict(sref)
-            # fmt: off
-            matches = [
-                equal(rdict["reflection"][axis], self.reflection[axis])
-                for axis in self.reflection
-            ] + [
-                equal(rdict["wavelength"], self.wavelength)
-            ]
-            # fmt: on
-            if False not in matches:
-                return sref
-
 
 @dataclass
 class DCSample:
@@ -295,9 +275,6 @@ def write(self, diffractometer):
             # temporarily, change the wavelength
             w0 = diffractometer.calc.wavelength
             w1 = rdict["wavelength"]
-            refl = reflection.find(sample)
-            if refl is not None:
-                sample.remove_reflection(refl)
             try:
                 diffractometer.calc.wavelength = w1
                 r = sample.add_reflection(*args)
@@ -568,6 +545,11 @@ def restore(self, data, clear=True, restore_constraints=True):
             If ``True`` (default), remove any previous configuration of the
             diffractometer and reset it to default values before restoring the
             configuration.
+
+            If ``False``, sample reflections will be append with all reflections
+            included in the configuration data for that sample.  Existing
+            reflections will not be changed.  The user may need to edit the
+            list of reflections after ``restore(clear=False)``.
         restore_constraints *bool*:
             If ``True`` (default), restore any constraints provided.
 

hkl/tests/test_restore_reflections.py

@@ -36,13 +36,14 @@ def test_issue289(e4cv):
     s_444 = silicon.add_reflection(4, 4, 4, (34, 134, 54, 64))
     silicon.compute_UB(s_440, s_444)
 
-    assert len(main.reflections) == 2
-    assert len(kryptonite.reflections) == 2
-    assert len(silicon.reflections) == 2
-    assert len(vibranium.reflections) == 2
+    n_saved_reflections = 2
+    assert len(main.reflections) == n_saved_reflections
+    assert len(kryptonite.reflections) == n_saved_reflections
+    assert len(silicon.reflections) == n_saved_reflections
+    assert len(vibranium.reflections) == n_saved_reflections
     # same test, using diffractometer sample dictionary now.
     for sample in e4cv.calc._samples.values():
-        assert len(sample.reflections) == 2, f"{sample.name=}"
+        assert len(sample.reflections) == n_saved_reflections, f"{sample.name=}"
     assert len(e4cv.calc._samples) == 4
 
     agent = DiffractometerConfiguration(e4cv)
@@ -57,4 +58,4 @@ def test_issue289(e4cv):
 
     assert len(e4cv.calc._samples) == 4
     for sample in e4cv.calc._samples.values():
-        assert len(sample.reflections) == 2
+        assert len(sample.reflections) == 2 * n_saved_reflections