Add fix for the scenario where a filelist and single ms file is provided (#44)

Author: nienkevanunen

dimspy/portals/paths.py

@@ -99,6 +99,11 @@ def check_paths(tsv, source):
             elif h5py.is_hdf5(source):
                 peaklists = hdf5_portal.load_peaklists_from_hdf5(source)
                 filenames = [pl.ID for pl in peaklists]
+            elif os.path.isfile(source):
+                if source.lower().endswith(".raw") or source.lower().endswith(".mzml"):
+                    filenames.append(source)
+                else:
+                    raise IOError("Incorrect file format, provide .mzml or .raw files: {}".format(source))
             else:
                 raise IOError("[Errno 2] No such file or directory: {} or {}".format(source, tsv))
     else: