breaking: pascal case PMG_VASP_PSP_DIR_Error (#4048)

materialsproject · Sep 6, 2024 · 15dc137 · 15dc137
1 parent 51ea7de
commit 15dc137
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Showing 2 changed files with 8 additions and 9 deletions.
diff --git a/src/pymatgen/io/vasp/inputs.py b/src/pymatgen/io/vasp/inputs.py
@@ -1728,7 +1728,7 @@ class OrbitalDescription(NamedTuple):
 POTCAR_STATS_PATH: str = os.path.join(MODULE_DIR, "potcar-summary-stats.json.bz2")
 
 
-class PMG_VASP_PSP_DIR_Error(ValueError):
+class PmgVaspPspDirError(ValueError):
     """Error thrown when PMG_VASP_PSP_DIR is not configured, but POTCAR is requested."""
 
 
@@ -2277,7 +2277,7 @@ def from_symbol_and_functional(
         functional_subdir = SETTINGS.get("PMG_VASP_PSP_SUB_DIRS", {}).get(functional, cls.functional_dir[functional])
         PMG_VASP_PSP_DIR = SETTINGS.get("PMG_VASP_PSP_DIR")
         if PMG_VASP_PSP_DIR is None:
-            raise PMG_VASP_PSP_DIR_Error(
+            raise PmgVaspPspDirError(
                 f"No POTCAR for {symbol} with {functional=} found. Please set the PMG_VASP_PSP_DIR in .pmgrc.yaml."
             )
         if not os.path.isdir(PMG_VASP_PSP_DIR):

diff --git a/src/pymatgen/io/vasp/sets.py b/src/pymatgen/io/vasp/sets.py
@@ -49,7 +49,7 @@
 from pymatgen.analysis.structure_matcher import StructureMatcher
 from pymatgen.core import Element, PeriodicSite, SiteCollection, Species, Structure
 from pymatgen.io.core import InputGenerator
-from pymatgen.io.vasp.inputs import Incar, Kpoints, PMG_VASP_PSP_DIR_Error, Poscar, Potcar, VaspInput
+from pymatgen.io.vasp.inputs import Incar, Kpoints, PmgVaspPspDirError, Poscar, Potcar, VaspInput
 from pymatgen.io.vasp.outputs import Outcar, Vasprun
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 from pymatgen.symmetry.bandstructure import HighSymmKpath
@@ -345,13 +345,12 @@ def write_input(
         vasp_input = None
         try:
             vasp_input = self.get_input_set(potcar_spec=potcar_spec)
-        except PMG_VASP_PSP_DIR_Error as exc:
+        except PmgVaspPspDirError:
             if not potcar_spec:
-                raise ValueError(
-                    "PMG_VASP_PSP_DIR is not set."
-                    "  Please set the PMG_VASP_PSP_DIR in .pmgrc.yaml"
-                    " or use potcar_spec=True argument."
-                ) from exc
+                raise PmgVaspPspDirError(
+                    "PMG_VASP_PSP_DIR is not set. Please set PMG_VASP_PSP_DIR"
+                    " in .pmgrc.yaml or use potcar_spec=True argument."
+                ) from None
 
         if vasp_input is None:
             raise ValueError("vasp_input is None")