Literal-types

pymatgen/analysis/interface_reactions.py

@@ -23,8 +23,9 @@
 
 import json
 import os
+import sys
 import warnings
-from typing import List, Literal, Tuple, Union
+from typing import List, Tuple, Union
 
 import matplotlib.pyplot as plt
 import numpy as np
@@ -39,6 +40,11 @@
 from pymatgen.util.plotting import pretty_plot
 from pymatgen.util.string import htmlify, latexify
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 __author__ = "Yihan Xiao, Matthew McDermott"
 __maintainer__ = "Matthew McDermott"
 __email__ = "[email protected]"

pymatgen/analysis/magnetism/jahnteller.py

@@ -8,8 +8,9 @@
 
 
 import os
+import sys
 import warnings
-from typing import Any, Dict, Literal, Optional, Tuple, Union, cast
+from typing import Any, Dict, Optional, Tuple, Union, cast
 
 import numpy as np
 
@@ -22,6 +23,11 @@
 from pymatgen.core.structure import Structure
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 MODULE_DIR = os.path.dirname(os.path.abspath(__file__))
 
 

pymatgen/analysis/phase_diagram.py

@@ -13,8 +13,8 @@
 import math
 import os
 import re
+import sys
 from functools import lru_cache
-from typing import Literal
 
 import numpy as np
 import plotly.graph_objs as go
@@ -30,6 +30,11 @@
 from pymatgen.util.plotting import pretty_plot
 from pymatgen.util.string import htmlify, latexify
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 logger = logging.getLogger(__name__)
 
 with open(os.path.join(os.path.dirname(__file__), "..", "util", "plotly_pd_layouts.json")) as f:

pymatgen/analysis/xas/spectrum.py

@@ -6,8 +6,9 @@
 This module defines classes to represent all xas and stitching methods
 """
 import math
+import sys
 import warnings
-from typing import List, Literal
+from typing import List
 
 import numpy as np
 from scipy.interpolate import interp1d
@@ -16,6 +17,11 @@
 from pymatgen.core.spectrum import Spectrum
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 __author__ = "Chen Zheng, Yiming Chen"
 __copyright__ = "Copyright 2012, The Materials Project"
 __version__ = "3.0"

pymatgen/core/periodic_table.py

@@ -6,20 +6,26 @@
 import ast
 import json
 import re
+import sys
 import warnings
 from collections import Counter
 from enum import Enum
 from io import open
 from itertools import combinations, product
 from pathlib import Path
-from typing import Callable, Dict, List, Literal, Optional, Tuple, Union
+from typing import Callable, Dict, List, Optional, Tuple, Union
 
 import numpy as np
 from monty.json import MSONable
 
 from pymatgen.core.units import SUPPORTED_UNIT_NAMES, FloatWithUnit, Length, Mass, Unit
 from pymatgen.util.string import Stringify, formula_double_format
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 # Loads element data from json file
 with open(str(Path(__file__).absolute().parent / "periodic_table.json"), "rt") as f:
     _pt_data = json.load(f)

pymatgen/core/spectrum.py

@@ -7,7 +7,8 @@
 x y value pairs.
 """
 
-from typing import Callable, List, Literal, Union
+import sys
+from typing import Callable, List, Union
 
 import numpy as np
 from monty.json import MSONable
@@ -17,6 +18,11 @@
 from pymatgen.util.coord import get_linear_interpolated_value
 from pymatgen.util.typing import ArrayLike
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 
 def lorentzian(x, x_0: float = 0, sigma: float = 1.0):
     """
@@ -79,9 +85,9 @@ def normalize(self, mode: Literal["max", "sum"] = "max", value: float = 1.0):
         Normalize the spectrum with respect to the sum of intensity
 
         Args:
-            mode ("max" | "sum"): Normalization mode. Supported modes are "max" (set
-                the max y value to value, e.g., in XRD patterns), "sum" (set the
-                sum of y to a value, i.e., like a probability density).
+            mode ("max" | "sum"): Normalization mode. "max" sets the max y value to value,
+                e.g., in XRD patterns. "sum" sets the sum of y to a value, i.e., like a
+                probability density.
             value (float): Value to normalize to. Defaults to 1.
         """
         if mode.lower() == "sum":

pymatgen/core/structure.py

@@ -15,10 +15,23 @@
 import os
 import random
 import re
+import sys
 import warnings
 from abc import ABCMeta, abstractmethod
 from fnmatch import fnmatch
-from typing import Any, Callable, Dict, Iterable, Iterator, List, Literal, Optional, Sequence, Set, Tuple, Union
+from typing import (
+    Any,
+    Callable,
+    Dict,
+    Iterable,
+    Iterator,
+    List,
+    Optional,
+    Sequence,
+    Set,
+    Tuple,
+    Union,
+)
 
 import numpy as np
 from monty.dev import deprecated
@@ -37,6 +50,11 @@
 from pymatgen.util.coord import all_distances, get_angle, lattice_points_in_supercell
 from pymatgen.util.typing import ArrayLike, CompositionLike, SpeciesLike
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 
 class Neighbor(Site):
     """
@@ -2116,13 +2134,13 @@ def to_s(x):
         )
         return "\n".join(outs)
 
-    def get_orderings(self, mode: str = "enum", **kwargs) -> List["Structure"]:
+    def get_orderings(self, mode: Literal["enum", "sqs"] = "enum", **kwargs) -> List["Structure"]:
         r"""
         Returns list of orderings for a disordered structure. If structure
         does not contain disorder, the default structure is returned.
 
         Args:
-            mode (str): Either "enum" or "sqs". If enum,
+            mode ("enum" | "sqs"): Either "enum" or "sqs". If enum,
                 the enumlib will be used to return all distinct
                 orderings. If sqs, mcsqs will be used to return
                 an sqs structure.

pymatgen/entries/__init__.py

@@ -10,15 +10,21 @@
 and PDEntry inherit from this class.
 """
 
+import sys
 from abc import ABCMeta, abstractmethod
 from numbers import Number
-from typing import Dict, Literal, Union
+from typing import Dict, Union
 
 import numpy as np
 from monty.json import MSONable
 
 from pymatgen.core.composition import Composition
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 __author__ = "Shyue Ping Ong, Anubhav Jain, Ayush Gupta"
 __copyright__ = "Copyright 2020, The Materials Project"
 __version__ = "1.1"
@@ -111,16 +117,16 @@ def normalize(self, mode: Literal["formula_unit", "atom"] = "formula_unit") -> "
 
         return self.from_dict(new_entry_dict)
 
-    def _normalization_factor(self, mode: str = "formula_unit") -> float:
+    def _normalization_factor(self, mode: Literal["formula_unit", "atom"] = "formula_unit") -> float:
         # NOTE here we use composition rather than _composition in order to ensure
-        # that we have the expected behaviour downstream in cases where composition
+        # that we have the expected behavior downstream in cases where composition
         # is overwritten (GrandPotPDEntry, TransformedPDEntry)
         if mode == "atom":
             factor = self.composition.num_atoms
         elif mode == "formula_unit":
             factor = self.composition.get_reduced_composition_and_factor()[1]
         else:
-            raise ValueError("`{}` is not an allowed option for normalization".format(mode))
+            raise ValueError(f"{mode=} is not an allowed option for normalization")
 
         return factor
 

pymatgen/entries/computed_entries.py

@@ -13,9 +13,10 @@
 import abc
 import json
 import os
+import sys
 import warnings
 from itertools import combinations
-from typing import Dict, List, Literal, Union
+from typing import Dict, List, Union
 
 import numpy as np
 from monty.json import MontyDecoder, MontyEncoder, MSONable
@@ -26,6 +27,11 @@
 from pymatgen.core.structure import Structure
 from pymatgen.entries import Entry
 
+if sys.version_info >= (3, 8):
+    from typing import Literal
+else:
+    from typing_extensions import Literal
+
 __author__ = "Ryan Kingsbury, Matt McDermott, Shyue Ping Ong, Anubhav Jain"
 __copyright__ = "Copyright 2011-2020, The Materials Project"
 __version__ = "1.1"