fixing the bool problem

gufe/custom_codecs.py

@@ -33,11 +33,13 @@ def inherited_is_my_dict(dct, cls):
     stored = gufe.tokenization.get_class(module, classname)
     return cls in stored.mro()
 
+
 def is_npy_dtype_dict(dct):
     expected = ["dtype", "bytes"]
     is_custom = all(exp in dct for exp in expected)
     return is_custom and ("shape" not in dct)
 
+
 def is_openff_unit_dict(dct):
     expected = ["pint_unit_registry", "unit_name", ":is_custom:"]
     is_custom = all(exp in dct for exp in expected)
@@ -80,6 +82,7 @@ def is_openff_quantity_dict(dct):
     from_dict=lambda dct: np.frombuffer(
         dct['bytes'], dtype=np.dtype(dct['dtype'])
     )[0],
+    is_my_obj=lambda obj: isinstance(obj, np.generic),
     is_my_dict=is_npy_dtype_dict,
 )
 

gufe/tests/test_custom_json.py

@@ -88,8 +88,9 @@ def test_not_mine(self):
 class TestNumpyCoding(CustomJSONCodingTest):
     def setup_method(self):
         self.codec = NUMPY_CODEC
-        self.objs = [np.array([[1.0, 0.0], [2.0, 3.2]]), np.array([1, 0])]
-        shapes = [[2, 2], [2,]]
+        self.objs = [np.array([[1.0, 0.0], [2.0, 3.2]]), np.array([1, 0]),
+                     np.array([1.0, 2.0, 3.0], dtype=np.float32),]
+        shapes = [[2, 2], [2,], [3,]]
         dtypes = [str(arr.dtype) for arr in self.objs]  # may change by system?
         byte_reps = [arr.tobytes() for arr in self.objs]
         self.dcts = [
@@ -123,11 +124,15 @@ def test_round_trip(self):
 class TestNumpyGenericCodec(TestNumpyCoding):
     def setup_method(self):
         self.codec = NPY_DTYPE_CODEC
-        self.objs = [np.float16(1.0), np.float32(1.0), np.float64(1.0),
-                     np.complex128(1.0), np.clongdouble(1.0), np.uint64(1),]
+        self.objs = [np.bool_(True), np.float16(1.0), np.float32(1.0),
+                     np.float64(1.0), np.complex128(1.0),
+                     np.clongdouble(1.0), np.uint64(1),]
         dtypes = [str(a.dtype) for a in self.objs]
         byte_reps = [a.tobytes() for a in self.objs]
-        classes = [str(a.dtype) for a in self.objs]
+        # Overly complicated extraction of the class name
+        # to deal with the bool_ -> bool dtype class name problem
+        classes = [str(a.__class__).split("'")[1].split('.')[1]
+                   for a in self.objs]
         self.dcts = [
             {
                 ":is_custom:": True,
@@ -139,6 +144,20 @@ def setup_method(self):
             for dtype, byte_rep, classname in zip(dtypes, byte_reps, classes)
         ]
 
+    def test_round_trip(self):
+        encoder, decoder = custom_json_factory([self.codec, BYTES_CODEC])
+        for (obj, dct) in zip(self.objs, self.dcts):
+            print(dct)
+            print(encoder)
+            json_str = json.dumps(obj, cls=encoder)
+            print(json_str)
+            reconstructed = json.loads(json_str, cls=decoder)
+            print(type(reconstructed))
+            npt.assert_array_equal(reconstructed, obj)
+            assert reconstructed.dtype == obj.dtype
+            json_str_2 = json.dumps(obj, cls=encoder)
+            assert json_str == json_str_2
+
 class TestPathCodec(CustomJSONCodingTest):
     def setup_method(self):
         self.codec = PATH_CODEC

gufe/tokenization.py

@@ -15,6 +15,7 @@
 from gufe.custom_codecs import (
     BYTES_CODEC,
     DATETIME_CODEC,
+    NPY_DTYPE_CODEC,
     NUMPY_CODEC,
     OPENFF_QUANTITY_CODEC,
     OPENFF_UNIT_CODEC,
@@ -26,6 +27,7 @@
 _default_json_codecs = [
     PATH_CODEC,
     NUMPY_CODEC,
+    NPY_DTYPE_CODEC,
     BYTES_CODEC,
     DATETIME_CODEC,
     SETTINGS_CODEC,