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fix bug in integration tests itp_to_ff
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fgrunewald committed Nov 24, 2023
1 parent b693735 commit 1c542cb
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1 change: 0 additions & 1 deletion polyply/tests/test_itp_to_ff.py
Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,6 @@ def test_itp_to_ff(tmp_path, case, smiles, resnames, charges):
Call itp-to-ff and check if it generates the same force-field
as in the ref.ff file.
"""
tmp_path = Path("/Users/fabian/ProgramDev/polyply_1.0/polyply/tests/test_data/itp_to_ff/PEG_PBE/tmp")
tmp_file = Path(tmp_path) / "test.ff"
inpath = Path(polyply.TEST_DATA) / "itp_to_ff" / case
itp_to_ff(itppath=inpath/"in_itp.itp",
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