From e9c1b3c85d4610d1a479d19c0afac3f6736d23b2 Mon Sep 17 00:00:00 2001
From: Janosh Riebesell <janosh.riebesell@gmail.com>
Date: Wed, 16 Oct 2024 06:01:38 -0400
Subject: [PATCH] change EquationOfState.get_bulk_modulus exception type on bad
 unit to ValueError

---
 .pre-commit-config.yaml  | 6 +++---
 chgnet/model/dynamics.py | 9 ++++++---
 2 files changed, 9 insertions(+), 6 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index a0de1493..5f0a13d2 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -4,7 +4,7 @@ default_install_hook_types: [pre-commit, commit-msg]
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.6.5
+    rev: v0.6.9
     hooks:
       - id: ruff
         args: [--fix]
@@ -13,7 +13,7 @@ repos:
         types_or: [python, jupyter]
 
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.6.0
+    rev: v5.0.0
     hooks:
       - id: check-case-conflict
       - id: check-symlinks
@@ -48,7 +48,7 @@ repos:
           - svelte
 
   - repo: https://github.com/pre-commit/mirrors-eslint
-    rev: v9.10.0
+    rev: v9.12.0
     hooks:
       - id: eslint
         types: [file]
diff --git a/chgnet/model/dynamics.py b/chgnet/model/dynamics.py
index 45cc9e4b..dd63b26d 100644
--- a/chgnet/model/dynamics.py
+++ b/chgnet/model/dynamics.py
@@ -845,7 +845,7 @@ def fit(
         self.bm.fit()
         self.fitted = True
 
-    def get_bulk_modulus(self, unit: str = "eV/A^3") -> float:
+    def get_bulk_modulus(self, unit: Literal["eV/A^3", "GPa"] = "eV/A^3") -> float:
         """Get the bulk modulus of from the fitted Birch-Murnaghan equation of state.
 
         Args:
@@ -853,7 +853,10 @@ def get_bulk_modulus(self, unit: str = "eV/A^3") -> float:
                 Default = "eV/A^3"
 
         Returns:
-            Bulk Modulus (float)
+            float: Bulk Modulus
+
+        Raises:
+            ValueError: If the equation of state is not fitted.
         """
         if self.fitted is False:
             raise ValueError(
@@ -863,7 +866,7 @@ def get_bulk_modulus(self, unit: str = "eV/A^3") -> float:
             return self.bm.b0
         if unit == "GPa":
             return self.bm.b0_GPa
-        raise NotImplementedError("unit has to be eV/A^3 or GPa")
+        raise ValueError("unit has to be eV/A^3 or GPa")
 
     def get_compressibility(self, unit: str = "A^3/eV") -> float:
         """Get the bulk modulus of from the fitted Birch-Murnaghan equation of state.