docstr

Author: esoteric-ephemera

mp_api/client/routes/materials/absorption.py

@@ -29,7 +29,26 @@ def search(
         """Query for optical absorption spectra data.
 
         Arguments:
-            material_ids (str, List[str]): Search for optical absorption data associated with the specified Material IDs
+            material_ids (str, List[str]):
+                Search for optical absorption data associated with the
+                specified Material ID(s)
+            num_sites (int, tuple[int, int]):
+                Search with a single number or a range of number of sites
+                in the structure.
+            num_elements (int, tuple[int, int]):
+                Search with a single number or a range of number of distinct
+                elements in the structure.
+            volume (float, tuple[float, float]):
+                Search with a single number or a range of structural
+                (lattice) volumes in ų.
+                If a single number, an uncertainty of ±0.01 is automatically used.
+            density (float, tuple[float, float]):
+                Search with a single number or a range of structural
+                (lattice) densities, in g/cm³.
+                If a single number, an uncertainty of ±0.01 is automatically used.
+            band_gap (float, tuple[float, float]):
+                Search with a single number or a range of band gaps in eV.
+                If a single number, an uncertainty of ±0.01 is automatically used.
             num_chunks (int): Maximum number of chunks of data to yield. None will yield all possible.
             chunk_size (int): Number of data entries per chunk.
             all_fields (bool): Whether to return all fields in the document. Defaults to True.
@@ -46,11 +65,13 @@ def search(
             "band_gap": "bandgap",
         }
         user_query = locals()
-        for k in ("num_sites","num_elements","volume","density","band_gap"):
+        for k in ("num_sites", "num_elements", "volume", "density", "band_gap"):
             if (value := user_query.get(k)) is not None:
-                if k in ("num_sites","num_elements") and isinstance(value, int):
+                if k in ("num_sites", "num_elements") and isinstance(value, int):
                     value = (value, value)
-                elif k in ("volume","density","band_gap") and isinstance(value,int | float):
+                elif k in ("volume", "density", "band_gap") and isinstance(
+                    value, int | float
+                ):
                     value = (value - 1e-2, value + 1e-2)
 
                 query_params.update(

tests/materials/test_absorption.py

@@ -9,9 +9,9 @@
 
 from core_function import client_search_testing
 
+
 @pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_absorption_search():
-
     client_search_testing(
         search_method=AbsorptionRester().search,
         excluded_params=[
@@ -29,16 +29,16 @@ def test_absorption_search():
         custom_field_tests={
             "material_ids": ["mp-149", "mp-239"],
             "material_ids": "mp-149",
-            "num_sites": (6,7),
+            "num_sites": (6, 7),
             "num_sites": 7,
             "num_elements": 5,
-            "num_elements": (4,5),
-            "volume": (115,116),
+            "num_elements": (4, 5),
+            "volume": (115, 116),
             "volume": 115.5,
-            "density": (2.9,3),
+            "density": (2.9, 3),
             "density": 2.933,
-            "band_gap": (1,1.05),
-            "band_gap": 1.,
+            "band_gap": (1, 1.05),
+            "band_gap": 1.0,
         },
         sub_doc_fields=[],
-    )
+    )

tests/materials/test_doi.py

@@ -6,9 +6,9 @@
 
 from core_function import client_search_testing
 
+
 @pytest.mark.skipif(os.getenv("MP_API_KEY") is None, reason="No API key found.")
 def test_doi_search():
-
     client_search_testing(
         search_method=DOIRester().search,
         excluded_params=[
@@ -25,4 +25,4 @@ def test_doi_search():
             "material_ids": "mp-149",
         },
         sub_doc_fields=[],
-    )
+    )