stjames 0.0.26__py3-none-any.whl → 0.0.28__py3-none-any.whl

stjames/basis_set.py

@@ -1,5 +1,9 @@
 import pydantic
-from typing import Optional, Self
+
+try:
+    from typing import Optional, Self
+except ImportError:
+    from typing_extensions import Optional, Self
 
 from .base import Base
 

stjames/molecule.py

@@ -1,5 +1,9 @@
 import pydantic
-from typing import Optional, Self
+
+try:
+    from typing import Optional, Self
+except ImportError:
+    from typing_extensions import Optional, Self
 
 from .base import Base
 
@@ -50,28 +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/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-0.0.26.dist-info → stjames-0.0.28.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: stjames
-Version: 0.0.26
+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-0.0.26.dist-info → stjames-0.0.28.dist-info}/RECORD

@@ -1,7 +1,7 @@
 stjames/__init__.py,sha256=yQF57YFNAXtZ7vqG89cRf1Pk4hKRCYlaTNzX4JkhHoo,471
 stjames/_deprecated_solvent_settings.py,sha256=ALUZeQoxDS11EvZexT1J2SDAlLTiXe-x4jV8tenDqMc,445
 stjames/base.py,sha256=ww8aRYBC1w1mga90QVOSdtQO8Dh3mPFn4oP0woQ_9qQ,1069
-stjames/basis_set.py,sha256=uax7wOv7C9640TMDOkFqTQvgZ5UxvyWx1Fp8-IGzils,935
+stjames/basis_set.py,sha256=4Su3K3Y7G-4S8WHWOQE94d6hxoN6L_MkQUz3qoFqcB0,1014
 stjames/calculation.py,sha256=iZ6dua78hWM7CsvtpHXs5Tmts-BAkB-iI1Fi7yvfqVo,786
 stjames/corrections.py,sha256=_pNG3qSylfx0iyUxqwx9HPU0m032YwP6wSPCjbJrD94,358
 stjames/diis_settings.py,sha256=QHc7L-hktkbOWBYr29byTdqL8lWJzKJiY9XW8ha4Qzo,552
@@ -9,16 +9,16 @@ stjames/grid_settings.py,sha256=WrSNGc-8_f87YBZYt9Hh7RbhM4MweADoVzwBMcSqcsE,640
 stjames/int_settings.py,sha256=5HXp8opt5ZyY1UpmfaK7NVloWVLM5jkG0elEEqpVLUo,896
 stjames/methods.py,sha256=e7A3XH808JglgfCzISKyRKAxGDj7BQdcQQtgtTlgfNk,843
 stjames/modes.py,sha256=xw46Cc7f3eTS8i35qECi-8DocAlANhayK3w4akD4HBU,496
-stjames/molecule.py,sha256=2_cBc-00dM7I6J9_TFZTaomyUXlYHA4fP0Erb3zGVdM,2824
+stjames/molecule.py,sha256=y-NidMubuA9IsSruUKavyBndbf5hYodjihna9uBjkOc,2915
 stjames/opt_settings.py,sha256=RwXikvwW6fTODK3FK8Xvyqy4DY-qMVtZHndWirBxujk,735
 stjames/scf_settings.py,sha256=e31f1mWRmcFkMnc-loQak_2037L-l4AYpnl-glchrCc,2388
-stjames/settings.py,sha256=0qZSiSN5R-ckhQDYD6FJf8HcVZwCQSVO5WAmcpAtR6A,8163
+stjames/settings.py,sha256=KMIpPmgZ1_EUQ2PZsvyi3uiwxUaWWNk6jF6sQvlxNPY,8166
 stjames/solvent_settings.py,sha256=3ssY-vQCCa071srfJbwCYEKDpWos8Mgvmg_dTpAnbJw,1104
 stjames/status.py,sha256=wTKNcNxStoEHrxxgr_zTyN90NITa3rxMQZzOgrCifEw,332
 stjames/tasks.py,sha256=TTl-iTdvDNCZTdPsyS6bYmxzY0ez9PgYlL62fztayXQ,307
 stjames/thermochem_settings.py,sha256=ZTLz31v8Ltutde5Nfm0vH5YahWjcfFWfr_R856KffxE,517
-stjames-0.0.26.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
-stjames-0.0.26.dist-info/METADATA,sha256=BdpMl23_F5U4DNR4V2JbEowYmVKxAG7-aXUYP_0Ze18,1605
-stjames-0.0.26.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
-stjames-0.0.26.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
-stjames-0.0.26.dist-info/RECORD,,
+stjames-0.0.28.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
+stjames-0.0.28.dist-info/METADATA,sha256=DjJ6SiJV2TYYq5XTxJn0L1RHrf8cXkxf_Q_eEFbX6xU,1605
+stjames-0.0.28.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
+stjames-0.0.28.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
+stjames-0.0.28.dist-info/RECORD,,