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import os
import subprocess
from pathlib import Path
import pytest
import chroma
from chroma.data import Protein
@pytest.fixture(scope="module")
def XCS():
input_file = str(
Path(Path(chroma.__file__).parent.parent, "tests", "resources", "1n8z.cif")
)
protein = Protein(input_file)
length = 100
return [_t[:, :length] for _t in protein.to_XCS(all_atom=True)]
# return protein.to_XCS(all_atom=True)
@pytest.fixture(scope="module")
def XCS_backbone(XCS):
X, C, S = XCS
return X[:, :, :4, :], C, S
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