From ec908fbc809fc0ba6b56e83bfa77670b939a26bf Mon Sep 17 00:00:00 2001 From: Carlo Camilloni Date: Fri, 7 Feb 2025 23:44:27 +0100 Subject: [PATCH] escape s+ --- src/multiego/io.py | 2 +- tools/make_mat/make_mat.py | 4 ++-- tools/make_mat/ndx2HDF5.py | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/multiego/io.py b/src/multiego/io.py index 0ab0f117..87d1a78e 100644 --- a/src/multiego/io.py +++ b/src/multiego/io.py @@ -399,7 +399,7 @@ def read_molecular_contacts(path, ensemble_molecules_idx_sbtype_dictionary, simu contact_matrix = pd.DataFrame() if not h5: - contact_matrix = pd.read_csv(path, header=None, sep="\s+", names=col_names, dtype=col_types) + contact_matrix = pd.read_csv(path, header=None, sep=r"\s+", names=col_names, dtype=col_types) contact_matrix["learned"] = contact_matrix["learned"].fillna(1).astype(bool) else: contact_matrix = pd.read_hdf(path, key="data", dtype=col_types) diff --git a/tools/make_mat/make_mat.py b/tools/make_mat/make_mat.py index 6df5faeb..9a2130f5 100644 --- a/tools/make_mat/make_mat.py +++ b/tools/make_mat/make_mat.py @@ -65,13 +65,13 @@ def read_mat(name, protein_ref_indices, args, cumulative=False): path_prefix = f"{args.histo}" if args.tar: with tarfile.open(args.histo, "r:*") as tar: - ref_df = pd.read_csv(tar.extractfile(name), header=None, sep="\s+", usecols=[0, *protein_ref_indices]) + ref_df = pd.read_csv(tar.extractfile(name), header=None, sep=r"\s+", usecols=[0, *protein_ref_indices]) ref_df_columns = ["distance", *[str(x) for x in protein_ref_indices]] ref_df.columns = ref_df_columns ref_df.set_index("distance", inplace=True) else: if args.noh5: - ref_df = pd.read_csv(f"{path_prefix}/{name}", header=None, sep="\s+", usecols=[0, *protein_ref_indices]) + ref_df = pd.read_csv(f"{path_prefix}/{name}", header=None, sep=r"\s+", usecols=[0, *protein_ref_indices]) ref_df_columns = ["distance", *[str(x) for x in protein_ref_indices]] ref_df.columns = ref_df_columns ref_df.set_index("distance", inplace=True) diff --git a/tools/make_mat/ndx2HDF5.py b/tools/make_mat/ndx2HDF5.py index d5917ba9..2305518b 100644 --- a/tools/make_mat/ndx2HDF5.py +++ b/tools/make_mat/ndx2HDF5.py @@ -48,7 +48,7 @@ } # Read the input file with specified column names and data types -contact_matrix = pd.read_csv(args.input_file, header=None, sep="\s+", names=col_names, dtype=col_types) +contact_matrix = pd.read_csv(args.input_file, header=None, sep=r"\s+", names=col_names, dtype=col_types) contact_matrix["learned"] = contact_matrix["learned"].fillna(1).astype(bool) contact_matrix["molecule_name_ai"] = contact_matrix["molecule_name_ai"].astype("category")