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Remove unnecessary imports, reorder imports
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smcolby committed Jul 23, 2024
1 parent 43906cb commit 5c3c9d0
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Showing 5 changed files with 9 additions and 12 deletions.
2 changes: 0 additions & 2 deletions isicle/adducts.py
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import pickle
import re

import rdkit.Chem.rdchem as rdc
from rdkit import Chem

import isicle
from isicle.conformers import ConformationalEnsemble
from isicle.interfaces import WrapperInterface
from isicle.md import md
from isicle.utils import safelist
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1 change: 0 additions & 1 deletion isicle/conformers.py
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import pandas as pd
from statsmodels.stats.weightstats import DescrStatsW

from isicle import io
from isicle.geometry import Geometry
from isicle.utils import TypedList, safelist

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3 changes: 0 additions & 3 deletions isicle/geometry.py
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import os

import numpy as np
from openbabel import pybel
from rdkit import Chem
from rdkit.Chem.MolStandardize import rdMolStandardize
from rdkit.Chem.SaltRemover import SaltRemover
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6 changes: 4 additions & 2 deletions isicle/io.py
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import os
import pickle
import joblib
from io import StringIO

import isicle
import joblib
import pandas as pd
from rdkit import Chem
from rdkit.Chem import rdDetermineBonds

import isicle


def _load_text(path: str):
"""
Load text from file.
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9 changes: 5 additions & 4 deletions isicle/utils.py
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import numpy as np
import os
import pandas as pd
import collections
from importlib import resources
import os
import shutil
import tempfile
from importlib import resources

import numpy as np
import pandas as pd


def safelist(x):
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