Commit 9abff197 authored by aksub99's avatar aksub99
Browse files

Fix type annotations and yapf formatting

parent 5a93e166
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+7 −7
Original line number Diff line number Diff line
import re
import numpy as np
from collections import defaultdict
from typing import DefaultDict, Union, List

from deepchem.utils.typing import PymatgenComposition, DefaultDict, Union
from deepchem.utils.typing import PymatgenComposition
from deepchem.feat import MaterialCompositionFeaturizer


elements_tl = [
    'H', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Na', 'Mg', 'Al', 'Si', 'P', 'S',
    'Cl', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn',
@@ -107,10 +107,10 @@ class CompositionFeaturizer(MaterialCompositionFeaturizer):
    res: collections.defaultdict
      Dictionary containing element names and corresponding fractions.
    """
    stack = []
    stack: List[str] = []
    curr_str = ''
    i = 0
    res = defaultdict(int)
    res: DefaultDict = defaultdict(int)
    formula = formula.replace('-', '').replace('@', '').replace(
        ' ', '').replace('[', '(').replace(']', ')').replace('{', '(').replace(
            '}', ')').replace('@', '').replace('x', '').replace(' ', '')
@@ -170,8 +170,8 @@ class CompositionFeaturizer(MaterialCompositionFeaturizer):
            res[k] = temp_res[k] if k not in res else res[k] + temp_res[k]
        else:
          for i, v in temp_res.items():
            stack.append(i)
            stack.append(v)
            stack.append(str(i))
            stack.append(str(v))
    if any([e for e in res if e in ['T', 'D', 'G', 'M', 'Q']]):
      print(formula, res)
    sum_nums = 1. * sum(res.values())
+1 −1
Original line number Diff line number Diff line
"""Type annotations that are widely used in DeepChem"""

from typing import Any, Callable, List, Sequence, Tuple, TypeVar, Union, DefaultDict
from typing import Any, Callable, List, Sequence, Tuple, TypeVar, Union

T = TypeVar("T")