stjames 0.0.27__tar.gz → 0.0.28__tar.gz

{stjames-0.0.27/stjames.egg-info → stjames-0.0.28}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: stjames
-Version: 0.0.27
+Version: 0.0.28
 Summary: standardized JSON atom/molecule encoding scheme
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/stjames

{stjames-0.0.27 → stjames-0.0.28}/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "stjames"
-version = "0.0.27"
+version = "0.0.28"
 description = "standardized JSON atom/molecule encoding scheme"
 readme = "README.md"
 requires-python = ">=3.8"

{stjames-0.0.27 → stjames-0.0.28}/stjames/molecule.py

@@ -54,28 +54,28 @@ class Molecule(Base):
         return [a.atomic_number for a in self.atoms]
 
     @property
-    def sum_energy_zpe(self) -> float | None:
+    def sum_energy_zpe(self) -> Optional[float]:
         if (self.energy is None) or (self.zero_point_energy is None):
             return None
         else:
             return self.energy + self.zero_point_energy
 
     @property
-    def sum_energy_thermal_corr(self) -> float | None:
+    def sum_energy_thermal_corr(self) -> Optional[float]:
         if (self.energy is None) or (self.thermal_energy_corr is None):
             return None
         else:
             return self.energy + self.thermal_energy_corr
 
     @property
-    def sum_energy_enthalpy(self) -> float | None:
+    def sum_energy_enthalpy(self) -> Optional[float]:
         if (self.energy is None) or (self.thermal_enthalpy_corr is None):
             return None
         else:
             return self.energy + self.thermal_enthalpy_corr
 
     @property
-    def sum_energy_free_energy(self) -> float | None:
+    def sum_energy_free_energy(self) -> Optional[float]:
         if (self.energy is None) or (self.thermal_free_energy_corr is None):
             return None
         else:

{stjames-0.0.27 → stjames-0.0.28}/stjames/settings.py

@@ -60,7 +60,7 @@ class Settings(Base):
 
     @pydantic.field_validator("basis_set", mode="before")
     @classmethod
-    def parse_basis_set(cls, v: Any) -> BasisSet | None:
+    def parse_basis_set(cls, v: Any) -> Optional[BasisSet]:
         """Turn a string into a ``BasisSet`` object. (This is a little crude.)"""
         if isinstance(v, BasisSet):
             return None if v.name is None else v

{stjames-0.0.27 → stjames-0.0.28/stjames.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: stjames
-Version: 0.0.27
+Version: 0.0.28
 Summary: standardized JSON atom/molecule encoding scheme
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/stjames