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carlocamilloni · Feb 7, 2025 · ec908fb · ec908fb
1 parent 2bb976b
commit ec908fb
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Showing 3 changed files with 4 additions and 4 deletions.
diff --git 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
@@ -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
@@ -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")