refactor UsageError -> UserError

ramannoodle/exceptions.py

@@ -29,7 +29,7 @@ class SymmetryException(Exception):
     """Symmetry operation failed."""
 
 
-class UsageError(Exception):
+class UserError(Exception):
     """The user has done something they shouldn't.
 
     This exception is used sparingly, as (ideally) the structure of the API should
@@ -135,7 +135,7 @@ def verify_positions(name: str, array: NDArray) -> None:
         raise ValueError(f"{name} has coordinates that are not between 0 and 1")
 
 
-def get_torch_missing_error() -> UsageError:
+def get_torch_missing_error() -> UserError:
     """Get error indicating that torch is not installed."""
     required_modules = "'torch', 'torch-scatter', and 'torch-sparse' modules"
-    return UsageError(f"torch functionality requires {required_modules}")
+    return UserError(f"torch functionality requires {required_modules}")

ramannoodle/io/generic.py

@@ -16,13 +16,13 @@
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory
 from ramannoodle.structure.reference import ReferenceStructure
-from ramannoodle.exceptions import UsageError, get_torch_missing_error
+from ramannoodle.exceptions import UserError, get_torch_missing_error
 import ramannoodle.io.vasp as vasp_io
 
 TORCH_PRESENT = True
 try:
     from ramannoodle.polarizability.torch.dataset import PolarizabilityDataset
-except UsageError:
+except UserError:
     TORCH_PRESENT = False
 
 # These  map between file formats and appropriate IO functions.

ramannoodle/io/io_utils.py

@@ -14,14 +14,14 @@
     verify_list_len,
     IncompatibleStructureException,
     get_torch_missing_error,
-    UsageError,
+    UserError,
 )
 from ramannoodle.globals import ATOM_SYMBOLS
 
 TORCH_PRESENT = True
 try:
     from ramannoodle.polarizability.torch.dataset import PolarizabilityDataset
-except UsageError:
+except UserError:
     TORCH_PRESENT = False
 
 

ramannoodle/io/vasp/outcar.py

@@ -12,14 +12,14 @@
 )
 from ramannoodle.exceptions import InvalidFileException, NoMatchingLineFoundException
 from ramannoodle.globals import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
-from ramannoodle.exceptions import get_type_error, UsageError
+from ramannoodle.exceptions import get_type_error, UserError
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory
 from ramannoodle.structure.reference import ReferenceStructure
 
 try:
     from ramannoodle.polarizability.torch.dataset import PolarizabilityDataset
-except UsageError:
+except UserError:
     pass
 
 

ramannoodle/io/vasp/vasprun.py

@@ -9,15 +9,15 @@
 from numpy.typing import NDArray
 
 from ramannoodle.io.io_utils import pathify, _read_polarizability_dataset
-from ramannoodle.exceptions import InvalidFileException, UsageError
+from ramannoodle.exceptions import InvalidFileException, UserError
 from ramannoodle.globals import ATOMIC_WEIGHTS, ATOMIC_NUMBERS
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory
 from ramannoodle.structure.reference import ReferenceStructure
 
 try:
     from ramannoodle.polarizability.torch.dataset import PolarizabilityDataset
-except UsageError:
+except UserError:
     pass
 
 

ramannoodle/polarizability/art.py

@@ -15,7 +15,7 @@
     get_shape_error,
     verify_ndarray_shape,
     InvalidDOFException,
-    UsageError,
+    UserError,
 )
 
 
@@ -88,7 +88,7 @@ def add_dof(  # pylint: disable=too-many-arguments
 
         :meta private:
         """
-        raise UsageError("add_dof should not be used; use add_art instead")
+        raise UserError("add_dof should not be used; use add_art instead")
 
     def add_dof_from_files(
         self,
@@ -104,7 +104,7 @@ def add_dof_from_files(
 
         :meta private:
         """
-        raise UsageError(
+        raise UserError(
             "add_dof_from_files should not be used; use add_art_from_files instead"
         )
 

ramannoodle/polarizability/interpolation.py

@@ -28,7 +28,7 @@
     get_shape_error,
     verify_ndarray_shape,
     DOFWarning,
-    UsageError,
+    UserError,
 )
 import ramannoodle.io.generic as generic_io
 from ramannoodle.io.io_utils import pathify_as_list
@@ -237,7 +237,7 @@ def calc_polarizabilities(
                 )
         except ValueError as err:
             if self._is_dummy_model:
-                raise UsageError(
+                raise UserError(
                     "dummy model cannot calculate polarizabilities"
                 ) from err
             raise err

ramannoodle/polarizability/torch/gnn.py

@@ -12,7 +12,7 @@
 from ramannoodle.structure.reference import ReferenceStructure
 from ramannoodle.exceptions import (
     get_torch_missing_error,
-    UsageError,
+    UserError,
     verify_ndarray_shape,
 )
 from ramannoodle.polarizability.abstract import PolarizabilityModel
@@ -33,7 +33,7 @@
     from torch_geometric.nn.models.schnet import ShiftedSoftplus
     from torch_geometric.utils import scatter
     import ramannoodle.polarizability.torch.utils as rn_torch_utils
-except (ModuleNotFoundError, UsageError) as exc:
+except (ModuleNotFoundError, UserError) as exc:
     raise get_torch_missing_error() from exc
 
 # pylint: disable=not-callable

ramannoodle/polarizability/torch/train.py

@@ -5,7 +5,7 @@
 
 from ramannoodle.exceptions import (  # pylint: disable=ungrouped-imports
     get_torch_missing_error,
-    UsageError,
+    UserError,
 )
 
 try:
@@ -16,7 +16,7 @@
 
     from ramannoodle.polarizability.torch.gnn import PotGNN
     from ramannoodle.polarizability.torch.dataset import PolarizabilityDataset
-except (ModuleNotFoundError, UsageError) as exc:
+except (ModuleNotFoundError, UserError) as exc:
     raise get_torch_missing_error() from exc
 
 

test/tests/test_art.py

@@ -7,7 +7,7 @@
 import pytest
 
 from ramannoodle.polarizability.art import ARTModel
-from ramannoodle.exceptions import InvalidDOFException, UsageError
+from ramannoodle.exceptions import InvalidDOFException, UserError
 from ramannoodle.structure.reference import ReferenceStructure
 
 # pylint: disable=protected-access
@@ -355,15 +355,15 @@ def test_dummy_art(
     assert "atomic Raman tensors are masked" in repr(model)
     assert len(model.cart_basis_vectors) == known_dof_added
     assert np.isclose(np.linalg.norm(model.cart_basis_vectors[0]), 1)
-    with pytest.raises(UsageError) as err:
+    with pytest.raises(UserError) as err:
         model.add_dof(np.array([]), np.array([]), np.array([]), 1, False)
     assert "add_dof should not be used; use add_art instead" in str(err.value)
-    with pytest.raises(UsageError) as err:
+    with pytest.raises(UserError) as err:
         model.add_dof_from_files(["blah"], "blah", 1)
     assert (
         "add_dof_from_files should not be used; use add_art_from_files instead"
         in str(err.value)
     )
-    with pytest.raises(UsageError) as err:
+    with pytest.raises(UserError) as err:
         model.calc_polarizabilities(np.array([ref_structure.positions]))
     assert "dummy model cannot calculate polarizabilities" in str(err.value)