test(consistent): replace Cartesian product with curated matrices for descriptor tests

source/tests/consistent/common.py

@@ -2,6 +2,7 @@
 import inspect
 import itertools
 import os
+import re
 import sys
 import unittest
 from abc import (
@@ -75,7 +76,9 @@
     "INSTALLED_PT_EXPT",
     "INSTALLED_TF",
     "CommonTest",
-    "CommonTest",
+    "parameterize_func",
+    "parameterized",
+    "parameterized_cases",
 ]
 
 SKIP_FLAG = object()
@@ -670,6 +673,46 @@ def tearDown(self) -> None:
             clear_session()
 
 
+def _parameterized_with_cases(full_parameterized: list[tuple]) -> Callable:
+    def decorator(base_class: type):
+        class_module = sys.modules[base_class.__module__].__dict__
+        used_names: set[str] = set()
+        for pp in full_parameterized:
+
+            class TestClass(base_class):
+                param: ClassVar = pp
+
+            # generate a safe name for the class
+            parts = []
+            for x in pp:
+                s = str(x)
+                # replace non-alnum with underscore, collapse multiple underscores
+                s = re.sub(r"[^a-zA-Z0-9_]", "_", s)
+                s = re.sub(r"_+", "_", s)
+                # remove leading/trailing underscores
+                s = s.strip("_")
+                if s == "":
+                    s = "empty"
+                parts.append(s)
+            base_name = f"{base_class.__name__}_{'_'.join(parts)}"
+            name = base_name
+            suffix = 1
+            while name in used_names or name in class_module:
+                name = f"{base_name}_{suffix}"
+                suffix += 1
+
+            TestClass.__name__ = name
+            TestClass.__qualname__ = name
+            TestClass.__module__ = base_class.__module__
+
+            used_names.add(name)
+            class_module[name] = TestClass
+        # make unittest module happy by ignoring the original one
+        return object
+
+    return decorator
+
+
 def parameterized(*attrs: tuple, **subblock_attrs: tuple) -> Callable:
     """Parameterized test.
 
@@ -733,6 +776,27 @@ class TestClass(base_class):
     return decorator
 
 
+def parameterized_cases(*cases: tuple) -> Callable:
+    """Parameterized test with explicit case tuples.
+
+    This variant behaves like :func:`parameterized` but takes a curated list of
+    case tuples directly instead of computing their Cartesian product.
+
+    Parameters
+    ----------
+    *cases : tuple
+        Explicit case tuples.
+
+    Returns
+    -------
+    object
+        The decorator.
+    """
+    if not cases:
+        raise ValueError("parameterized_cases requires at least one case tuple")
+    return _parameterized_with_cases(list(cases))
+
+
 def parameterize_func(
     func: Callable,
     param_dict_list: dict[str, tuple],

source/tests/consistent/descriptor/test_dpa1.py

@@ -22,7 +22,7 @@
     INSTALLED_PT_EXPT,
     INSTALLED_TF,
     CommonTest,
-    parameterized,
+    parameterized_cases,
 )
 from .common import (
     DescriptorAPITest,
@@ -57,28 +57,76 @@
     descrpt_se_atten_args,
 )
 
+DPA1_CASE_FIELDS = (
+    "tebd_dim",
+    "tebd_input_mode",
+    "resnet_dt",
+    "type_one_side",
+    "attn",
+    "attn_layer",
+    "attn_dotr",
+    "excluded_types",
+    "env_protection",
+    "set_davg_zero",
+    "scaling_factor",
+    "normalize",
+    "temperature",
+    "ln_eps",
+    "smooth_type_embedding",
+    "concat_output_tebd",
+    "precision",
+    "use_econf_tebd",
+    "use_tebd_bias",
+)
+
 
-@parameterized(
-    (4,),  # tebd_dim
-    ("concat", "strip"),  # tebd_input_mode
-    (True,),  # resnet_dt
-    (True,),  # type_one_side
-    (20,),  # attn
-    (0, 2),  # attn_layer
-    (True,),  # attn_dotr
-    ([], [[0, 1]]),  # excluded_types
-    (0.0,),  # env_protection
-    (True, False),  # set_davg_zero
-    (1.0,),  # scaling_factor
-    (True,),  # normalize
-    (None, 1.0),  # temperature
-    (1e-5,),  # ln_eps
-    (True,),  # smooth_type_embedding
-    (True,),  # concat_output_tebd
-    ("float64",),  # precision
-    (True, False),  # use_econf_tebd
-    (False,),  # use_tebd_bias
+DPA1_BASELINE_CASE = {
+    "tebd_dim": 4,
+    "tebd_input_mode": "concat",
+    "resnet_dt": True,
+    "type_one_side": True,
+    "attn": 20,
+    "attn_layer": 2,
+    "attn_dotr": True,
+    "excluded_types": [],
+    "env_protection": 0.0,
+    "set_davg_zero": True,
+    "scaling_factor": 1.0,
+    "normalize": True,
+    "temperature": 1.0,
+    "ln_eps": 1e-5,
+    "smooth_type_embedding": True,
+    "concat_output_tebd": True,
+    "precision": "float64",
+    "use_econf_tebd": False,
+    "use_tebd_bias": False,
+}
+
+
+def dpa1_case(**overrides: Any) -> tuple:
+    case = DPA1_BASELINE_CASE | overrides
+    return tuple(case[field] for field in DPA1_CASE_FIELDS)
+
+
+DPA1_CURATED_CASES = (
+    # Baseline coverage.
+    dpa1_case(),
+    # Alternate tebd input plumbing.
+    dpa1_case(tebd_input_mode="strip"),
+    # High-risk descriptor toggles.
+    dpa1_case(excluded_types=[[0, 1]]),
+    dpa1_case(set_davg_zero=False),
+    dpa1_case(normalize=False),
+    # Attention edge cases: disabled temperature path vs zero-layer path.
+    dpa1_case(temperature=None),
+    dpa1_case(attn_layer=0, temperature=None),
+    # econf-specific path with both tebd input modes.
+    dpa1_case(use_econf_tebd=True),
+    dpa1_case(tebd_input_mode="strip", use_econf_tebd=True),
 )
+
+
+@parameterized_cases(*DPA1_CURATED_CASES)
 class TestDPA1(CommonTest, DescriptorTest, unittest.TestCase):
     @property
     def data(self) -> dict:
@@ -556,27 +604,7 @@ def atol(self) -> float:
             raise ValueError(f"Unknown precision: {precision}")
 
 
-@parameterized(
-    (4,),  # tebd_dim
-    ("concat", "strip"),  # tebd_input_mode
-    (True,),  # resnet_dt
-    (True,),  # type_one_side
-    (20,),  # attn
-    (0, 2),  # attn_layer
-    (True,),  # attn_dotr
-    ([], [[0, 1]]),  # excluded_types
-    (0.0,),  # env_protection
-    (True, False),  # set_davg_zero
-    (1.0,),  # scaling_factor
-    (True,),  # normalize
-    (None, 1.0),  # temperature
-    (1e-5,),  # ln_eps
-    (True,),  # smooth_type_embedding
-    (True,),  # concat_output_tebd
-    ("float64",),  # precision
-    (True, False),  # use_econf_tebd
-    (False,),  # use_tebd_bias
-)
+@parameterized_cases(*DPA1_CURATED_CASES)
 class TestDPA1DescriptorAPI(DescriptorAPITest, unittest.TestCase):
     """Test consistency of BaseDescriptor API methods across backends."""