stjames 0.0.50__tar.gz → 0.0.51__tar.gz

{stjames-0.0.50/stjames.egg-info → stjames-0.0.51}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: stjames
-Version: 0.0.50
+Version: 0.0.51
 Summary: standardized JSON atom/molecule encoding scheme
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/stjames

{stjames-0.0.50 → stjames-0.0.51}/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "stjames"
-version = "0.0.50"
+version = "0.0.51"
 description = "standardized JSON atom/molecule encoding scheme"
 readme = "README.md"
 requires-python = ">=3.11"

{stjames-0.0.50 → stjames-0.0.51}/stjames/pdb.py

@@ -4,7 +4,7 @@ from typing import Any, Literal
 
 import atomium  # type: ignore [import-untyped]
 from atomium.pdb import pdb_dict_to_data_dict, pdb_string_to_pdb_dict  # type: ignore [import-untyped]
-from pydantic import BaseModel, ConfigDict, Field
+from pydantic import BaseModel, ConfigDict, Field, field_validator
 
 from stjames.types import Matrix3x3, Vector3D
 
@@ -166,9 +166,17 @@ class PDBDescription(BaseModel):
     title: str | None
     authors: list[str] = []
     classification: str | None
-    deposition_date: date | None
+    deposition_date: str | None
     keywords: list[str] = []
 
+    @field_validator("deposition_date", mode="before")
+    @classmethod
+    def date_to_string(cls, v: str | date | None) -> str | None:
+        if v is None:
+            return v
+
+        return str(date)
+
 
 class PDB(BaseModel):
     """A PDB formatted file."""

{stjames-0.0.50 → stjames-0.0.51/stjames.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: stjames
-Version: 0.0.50
+Version: 0.0.51
 Summary: standardized JSON atom/molecule encoding scheme
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/stjames

{stjames-0.0.50 → stjames-0.0.51}/tests/test_pdb.py

@@ -1,6 +1,6 @@
 from pytest import mark
 
-from stjames.pdb import fetch_pdb, pdb_from_string
+from stjames.pdb import PDB, fetch_pdb, pdb_from_string
 
 
 def test_1ema() -> None:
@@ -15,6 +15,9 @@ def test_read_pdb() -> None:
     pdb = pdb_from_string(data)
     assert pdb.description.code == "1EMA"
 
+    json = pdb.model_dump()
+    PDB.model_validate(json)
+
 
 # fmt: off
 @mark.regression
@@ -41,4 +44,7 @@ def test_read_pdb() -> None:
     ]
 )  # fmt: on
 def test_pdb(code: str) -> None:
-    fetch_pdb(code)
+    pdb = fetch_pdb(code)
+
+    json = pdb.model_dump()
+    PDB.model_validate(json)