Merge pull request #759 from janosh/flake8+isort

Flake8+isort

matminer/data_retrieval/retrieve_AFLOW.py

@@ -1,15 +1,13 @@
 from functools import reduce
 
-from pandas import DataFrame
-
-from pymatgen.core.structure import Structure
-
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
-
 from aflow import K  # module of aflow Keyword properties
 from aflow.caster import cast
 from aflow.control import Query
 from aflow.entries import AflowFile
+from pandas import DataFrame
+from pymatgen.core.structure import Structure
+
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 
 __author__ = ["Maxwell Dylla <[email protected]>"]
 

matminer/data_retrieval/retrieve_Citrine.py

@@ -1,24 +1,26 @@
+import os
+import time
+from collections import Counter
+
+import numpy as np
+import pandas as pd
 from citrination_client import (
-    CitrinationClient,
     ChemicalFieldQuery,
     ChemicalFilter,
+    CitrinationClient,
+    DataQuery,
+    DatasetQuery,
     FieldQuery,
-    PropertyQuery,
     Filter,
-    ReferenceQuery,
     PifSystemQuery,
-    DatasetQuery,
-    DataQuery,
     PifSystemReturningQuery,
+    PropertyQuery,
+    ReferenceQuery,
 )
-import os
-import time
-import pandas as pd
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
-from tqdm import tqdm
 from pandas.io.json import json_normalize
-import numpy as np
-from collections import Counter
+from tqdm import tqdm
+
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 
 __author__ = [
     "Saurabh Bajaj <[email protected]>",

matminer/data_retrieval/retrieve_MDF.py

@@ -1,7 +1,7 @@
 import pandas as pd
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
-
 from mdf_forge.forge import Forge
+
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 from matminer.utils.flatten_dict import flatten_dict
 
 __author__ = "Joseph Montoya <[email protected]>"

matminer/data_retrieval/retrieve_MP.py

@@ -1,8 +1,7 @@
 import pandas as pd
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
+from pymatgen.ext.matproj import MPRester, MPRestError
 
-from pymatgen.ext.matproj import MPRester
-from pymatgen.ext.matproj import MPRestError
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 
 __author__ = [
     "Saurabh Bajaj <[email protected]>",

matminer/data_retrieval/retrieve_MPDS.py

@@ -11,9 +11,10 @@
 import warnings
 
 import httplib2
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 from six.moves.urllib_parse import urlencode
 
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
+
 try:
     import ujson as json
 except ImportError:

matminer/data_retrieval/retrieve_MongoDB.py

@@ -1,8 +1,10 @@
-import pandas as pd
+from functools import reduce
 from itertools import groupby
-from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
+
+import pandas as pd
 from tqdm import tqdm
-from functools import reduce
+
+from matminer.data_retrieval.retrieve_base import BaseDataRetrieval
 
 __author__ = "Anubhav Jain <[email protected]>"
 

matminer/data_retrieval/tests/test_retrieve_AFLOW.py

@@ -1,6 +1,6 @@
 import unittest
-import numpy as np
 
+import numpy as np
 from pymatgen.core.structure import Structure
 
 from matminer.data_retrieval.retrieve_AFLOW import AFLOWDataRetrieval

matminer/data_retrieval/tests/test_retrieve_MDF.py

@@ -1,5 +1,5 @@
-import unittest
 import os
+import unittest
 
 from matminer.data_retrieval.retrieve_MDF import MDFDataRetrieval, make_dataframe
 

matminer/data_retrieval/tests/test_retrieve_MP.py

@@ -1,13 +1,14 @@
 import unittest
 
-from matminer.data_retrieval.retrieve_MP import MPDataRetrieval
 from pymatgen.core import SETTINGS
 from pymatgen.electronic_structure.bandstructure import (
-    BandStructureSymmLine,
     BandStructure,
+    BandStructureSymmLine,
 )
 from pymatgen.electronic_structure.dos import CompleteDos
 
+from matminer.data_retrieval.retrieve_MP import MPDataRetrieval
+
 
 @unittest.skipIf(not SETTINGS.get("PMG_MAPI_KEY", ""), "PMG_MAPI_KEY not in environment variables.")
 class MPDataRetrievalTest(unittest.TestCase):

matminer/data_retrieval/tests/test_retrieve_MPDS.py

@@ -6,8 +6,10 @@
     import ujson as json
 except ImportError:
     import json
+
 import unittest
-from jsonschema import validate, Draft4Validator
+
+from jsonschema import Draft4Validator, validate
 from jsonschema.exceptions import ValidationError
 
 from matminer.data_retrieval.retrieve_MPDS import MPDSDataRetrieval

matminer/data_retrieval/tests/test_retrieve_MongoDB.py

@@ -1,9 +1,13 @@
 import unittest
 
-from pymongo import MongoClient
 from pymatgen.util.testing import PymatgenTest
+from pymongo import MongoClient
 
-from matminer.data_retrieval.retrieve_MongoDB import clean_projection, remove_ints, MongoDataRetrieval
+from matminer.data_retrieval.retrieve_MongoDB import (
+    MongoDataRetrieval,
+    clean_projection,
+    remove_ints,
+)
 from matminer.data_retrieval.tests.base import on_ci
 
 

matminer/datasets/__init__.py

@@ -1,12 +1,12 @@
 from .dataset_retrieval import (
-    load_dataset,
+    get_all_dataset_info,
     get_available_datasets,
+    get_dataset_attribute,
     get_dataset_citations,
     get_dataset_column_description,
-    get_dataset_reference,
     get_dataset_columns,
-    get_dataset_num_entries,
     get_dataset_description,
-    get_dataset_attribute,
-    get_all_dataset_info,
+    get_dataset_num_entries,
+    get_dataset_reference,
+    load_dataset,
 )

matminer/datasets/dataset_retrieval.py

@@ -1,8 +1,8 @@
 import os
 
 from matminer.datasets.utils import (
-    _load_dataset_dict,
     _get_data_home,
+    _load_dataset_dict,
     _validate_dataset,
 )
 from matminer.utils.io import load_dataframe_from_json

matminer/datasets/tests/base.py

@@ -1,5 +1,5 @@
-import unittest
 import os
+import unittest
 
 from matminer.datasets.utils import _load_dataset_dict
 

matminer/datasets/tests/test_convenience_loaders.py

@@ -1,33 +1,34 @@
-import pandas as pd
 import unittest
 
-from matminer.datasets.tests.base import DatasetTest, do_complete_test
+import pandas as pd
+
 from matminer.datasets.convenience_loaders import (
-    load_glass_ternary_hipt,
-    load_castelli_perovskites,
-    load_flla,
     load_boltztrap_mp,
+    load_brgoch_superhard_training,
+    load_castelli_perovskites,
     load_citrine_thermal_conductivity,
     load_dielectric_constant,
     load_double_perovskites_gap,
     load_double_perovskites_gap_lumo,
     load_elastic_tensor,
+    load_expt_formation_enthalpy,
+    load_expt_gap,
+    load_flla,
+    load_glass_binary,
+    load_glass_ternary_hipt,
     load_glass_ternary_landolt,
-    load_phonon_dielectric_mp,
-    load_piezoelectric_tensor,
-    load_mp,
-    load_wolverton_oxides,
     load_heusler_magnetic,
-    load_steel_strength,
-    load_jarvis_ml_dft_training,
     load_jarvis_dft_2d,
     load_jarvis_dft_3d,
-    load_expt_formation_enthalpy,
-    load_expt_gap,
-    load_glass_binary,
+    load_jarvis_ml_dft_training,
     load_m2ax,
-    load_brgoch_superhard_training,
+    load_mp,
+    load_phonon_dielectric_mp,
+    load_piezoelectric_tensor,
+    load_steel_strength,
+    load_wolverton_oxides,
 )
+from matminer.datasets.tests.base import DatasetTest, do_complete_test
 
 if do_complete_test:
 

matminer/datasets/tests/test_dataset_retrieval.py

@@ -1,18 +1,18 @@
 import unittest
 
-from matminer.datasets.tests.base import DatasetTest
 from matminer.datasets.dataset_retrieval import (
-    load_dataset,
+    get_all_dataset_info,
     get_available_datasets,
     get_dataset_attribute,
+    get_dataset_citations,
+    get_dataset_column_description,
+    get_dataset_columns,
     get_dataset_description,
     get_dataset_num_entries,
-    get_dataset_columns,
     get_dataset_reference,
-    get_dataset_column_description,
-    get_dataset_citations,
-    get_all_dataset_info,
+    load_dataset,
 )
+from matminer.datasets.tests.base import DatasetTest
 
 
 class DataRetrievalTest(DatasetTest):

matminer/datasets/tests/test_datasets.py

@@ -1,13 +1,13 @@
-import unittest
 import os
+import unittest
 
-import requests
 import numpy as np
-from pandas.api.types import is_numeric_dtype, is_object_dtype, is_bool_dtype
-from pymatgen.core.structure import Structure, Composition
+import requests
+from pandas.api.types import is_bool_dtype, is_numeric_dtype, is_object_dtype
+from pymatgen.core.structure import Composition, Structure
 
-from matminer.datasets.tests.base import DatasetTest, do_complete_test
 from matminer.datasets.dataset_retrieval import load_dataset
+from matminer.datasets.tests.base import DatasetTest, do_complete_test
 
 
 class DataSetsTest(DatasetTest):

matminer/datasets/tests/test_utils.py

@@ -1,15 +1,16 @@
-import unittest
 import os
+import unittest
+
 import pandas as pd
 
 from matminer.datasets.tests.base import DatasetTest
 from matminer.datasets.utils import (
-    _load_dataset_dict,
-    _get_file_sha256_hash,
     _fetch_external_dataset,
-    _validate_dataset,
     _get_data_home,
+    _get_file_sha256_hash,
+    _load_dataset_dict,
     _read_dataframe_from_file,
+    _validate_dataset,
 )
 
 

matminer/datasets/utils.py

@@ -1,10 +1,10 @@
-import os
 import hashlib
 import json
-import requests
+import os
 
-import tqdm
 import pandas as pd
+import requests
+import tqdm
 
 __author__ = "Daniel Dopp <[email protected]>"
 

matminer/featurizers/bandstructure.py

@@ -1,18 +1,18 @@
 import sys
 import warnings
+from collections import OrderedDict
 
 import numpy as np
-from collections import OrderedDict
 from numpy.linalg import norm
-from scipy.interpolate import griddata
-
-from matminer.featurizers.base import BaseFeaturizer
-from pymatgen.electronic_structure.core import Spin
 from pymatgen.electronic_structure.bandstructure import (
     BandStructure,
     BandStructureSymmLine,
 )
+from pymatgen.electronic_structure.core import Spin
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
+from scipy.interpolate import griddata
+
+from matminer.featurizers.base import BaseFeaturizer
 
 __author__ = "Anubhav Jain <[email protected]>"
 

matminer/featurizers/composition/__init__.py

@@ -1,19 +1,18 @@
-from matminer.featurizers.composition.element import ElementFraction, TMetalFraction, Stoichiometry, BandCenter
-
-from matminer.featurizers.composition.composite import Meredig, ElementProperty
-
-from matminer.featurizers.composition.alloy import YangSolidSolution, Miedema, WenAlloys
-
+from matminer.featurizers.composition.alloy import Miedema, WenAlloys, YangSolidSolution
+from matminer.featurizers.composition.composite import ElementProperty, Meredig
+from matminer.featurizers.composition.element import (
+    BandCenter,
+    ElementFraction,
+    Stoichiometry,
+    TMetalFraction,
+)
 from matminer.featurizers.composition.ion import (
-    IonProperty,
     CationProperty,
-    OxidationStates,
     ElectronAffinity,
     ElectronegativityDiff,
+    IonProperty,
+    OxidationStates,
 )
-
 from matminer.featurizers.composition.orbital import AtomicOrbitals, ValenceOrbital
-
-
 from matminer.featurizers.composition.packing import AtomicPackingEfficiency
-from matminer.featurizers.composition.thermo import CohesiveEnergyMP, CohesiveEnergy
+from matminer.featurizers.composition.thermo import CohesiveEnergy, CohesiveEnergyMP