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24 lines
715 B
Python
24 lines
715 B
Python
from importlib import resources
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from rdkit import Chem
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from gufe import ProteinComponent
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from openfecli.parameters.protein import get_molecule
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def test_get_protein_pdb():
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with resources.files("gufe.tests.data") as d:
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filename = str(d / "181l.pdb")
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protein_comp = get_molecule(filename)
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assert isinstance(protein_comp, ProteinComponent)
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assert isinstance(protein_comp.to_rdkit(), Chem.Mol)
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def test_get_protein_pdbx():
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with resources.files("gufe.tests.data") as d:
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filename = str(d / "181l.cif")
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protein_comp = get_molecule(filename)
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assert isinstance(protein_comp, ProteinComponent)
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assert isinstance(protein_comp.to_rdkit(), Chem.Mol)
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