support single values as search filters (#672)

e.g. num_elements=1 instead of num_elements=[1, 1]

.pre-commit-config.yaml

@@ -7,12 +7,11 @@ repos:
     -   id: trailing-whitespace
     -   id: flake8
   - repo: https://github.com/psf/black
-    rev: 22.6.0
+    rev: 22.8.0
     hooks:
     - id: black
       language_version: python3 # Should be a command that runs python3.6+
-  - repo: https://github.com/myint/autoflake
-    rev: v1.4
+  - repo: https://github.com/PyCQA/autoflake
+    rev: v1.5.3
     hooks:
     - id: autoflake
-      args: [--in-place, --remove-all-unused-imports, --remove-unused-variable]

mp_api/client/routes/electrodes.py

@@ -131,6 +131,8 @@ def search(  # pragma: ignore
             query_params.update({"elements": ",".join(elements)})
 
         if num_elements:
+            if isinstance(num_elements, int):
+                num_elements = (num_elements, num_elements)
             query_params.update(
                 {"nelements_min": num_elements[0], "nelements_max": num_elements[1]}
             )

mp_api/client/routes/electronic_structure.py

@@ -1,4 +1,5 @@
 import base64
+import warnings
 import zlib
 from collections import defaultdict
 from typing import List, Optional, Tuple, Union
@@ -10,13 +11,12 @@
     ElectronicStructureDoc,
 )
 from monty.serialization import MontyDecoder
-from mp_api.client.core import BaseRester, MPRestError
-from mp_api.client.core.utils import validate_ids
 from pymatgen.analysis.magnetism.analyzer import Ordering
 from pymatgen.core.periodic_table import Element
 from pymatgen.electronic_structure.core import OrbitalType, Spin
 
-import warnings
+from mp_api.client.core import BaseRester, MPRestError
+from mp_api.client.core.utils import validate_ids
 
 
 class ElectronicStructureRester(BaseRester[ElectronicStructureDoc]):
@@ -126,6 +126,8 @@ def search(
             query_params.update({"magnetic_ordering": magnetic_ordering.value})
 
         if num_elements:
+            if isinstance(num_elements, int):
+                num_elements = (num_elements, num_elements)
             query_params.update(
                 {"nelements_min": num_elements[0], "nelements_max": num_elements[1]}
             )

mp_api/client/routes/materials.py

@@ -1,15 +1,14 @@
+import warnings
 from typing import List, Optional, Tuple, Union
-from pymatgen.core.structure import Structure
 
-from emmet.core.vasp.material import MaterialsDoc
-from emmet.core.symmetry import CrystalSystem
 from emmet.core.settings import EmmetSettings
+from emmet.core.symmetry import CrystalSystem
+from emmet.core.vasp.material import MaterialsDoc
+from pymatgen.core.structure import Structure
 
 from mp_api.client.core import BaseRester, MPRestError
 from mp_api.client.core.utils import validate_ids
 
-import warnings
-
 _EMMET_SETTINGS = EmmetSettings()
 
 
@@ -154,6 +153,8 @@ def search(
             )
 
         if num_elements:
+            if isinstance(num_elements, int):
+                num_elements = (num_elements, num_elements)
             query_params.update(
                 {"nelements_min": num_elements[0], "nelements_max": num_elements[1]}
             )

mp_api/client/routes/summary.py

@@ -1,14 +1,14 @@
+import warnings
 from collections import defaultdict
 from typing import List, Optional, Tuple, Union
 
 from emmet.core.mpid import MPID
 from emmet.core.summary import HasProps, SummaryDoc
 from emmet.core.symmetry import CrystalSystem
-from mp_api.client.core import BaseRester
-from mp_api.client.core.utils import validate_ids
 from pymatgen.analysis.magnetism import Ordering
 
-import warnings
+from mp_api.client.core import BaseRester
+from mp_api.client.core.utils import validate_ids
 
 
 class SummaryRester(BaseRester[SummaryDoc]):
@@ -210,6 +210,8 @@ def search(
 
         for param, value in locals().items():
             if param in min_max_name_dict and value:
+                if isinstance(value, (int, float)):
+                    value = (value, value)
                 query_params.update(
                     {
                         f"{min_max_name_dict[param]}_min": value[0],
@@ -289,5 +291,5 @@ def search(
             chunk_size=chunk_size,
             all_fields=all_fields,
             fields=fields,
-            **query_params
+            **query_params,
         )

mp_api/client/routes/thermo.py

@@ -1,11 +1,12 @@
+import warnings
 from collections import defaultdict
-from typing import Optional, List, Tuple, Union
-from mp_api.client.core import BaseRester
-from mp_api.client.core.utils import validate_ids
+from typing import List, Optional, Tuple, Union
+
 from emmet.core.thermo import ThermoDoc
 from pymatgen.analysis.phase_diagram import PhaseDiagram
 
-import warnings
+from mp_api.client.core import BaseRester
+from mp_api.client.core.utils import validate_ids
 
 
 class ThermoRester(BaseRester[ThermoDoc]):
@@ -95,6 +96,8 @@ def search(
             query_params.update({"material_ids": ",".join(validate_ids(material_ids))})
 
         if num_elements:
+            if isinstance(num_elements, int):
+                num_elements = (num_elements, num_elements)
             query_params.update(
                 {"nelements_min": num_elements[0], "nelements_max": num_elements[1]}
             )

setup.cfg

@@ -2,10 +2,10 @@
 addopts = --durations=30
 
 [pycodestyle]
-count = True
+count = true
 ignore = E121,E123,E126,E133,E226,E241,E242,E704,W503,W504,W505,E741,W605,W293,E203
 max-line-length = 120
-statistics = True
+statistics = true
 exclude = documentation.py
 
 [flake8]
@@ -18,4 +18,11 @@ max-line-length = 120
 ignore = D105,D2,D4
 
 [mypy]
-ignore_missing_imports = True
+ignore_missing_imports = true
+
+[autoflake]
+in-place = true
+remove-unused-variables = true
+remove-all-unused-imports = true
+expand-star-imports = true
+ignore-init-module-imports = true