diff --git a/common/python/nomadcore/md_data_access/MDDataAccess.py b/common/python/nomadcore/md_data_access/MDDataAccess.py index 36c76b87e16f666f22c24bff094d277768283960..905aab1ece8aa4fe2d3d25971d49e001ed9ce132 100644 --- a/common/python/nomadcore/md_data_access/MDDataAccess.py +++ b/common/python/nomadcore/md_data_access/MDDataAccess.py @@ -1206,6 +1206,7 @@ class MDDataAccess(object): file_format = self.trajformat usedefault=True + molfile_traj=None # Use the given order to check topology if self.interfaceorder: for interface in self.interfaceorder: @@ -1220,8 +1221,9 @@ class MDDataAccess(object): elif self.natoms is not None: if self.natoms > 0: molfile_traj = pym.OpenMolfile(self.trajfile, file_format=filetrajformat, natoms=self.natoms, silent=False) - if molfile_traj.trajectory is not None: - trajhandler_check = molfile_traj + if molfile_traj is not None: + if molfile_traj.trajectory is not None: + trajhandler_check = molfile_traj if trajhandler_check: trajhandler = None trajhandler = self.pymolfile_iread(trajhandler_check) @@ -1420,8 +1422,9 @@ class MDDataAccess(object): elif self.natoms is not None: if self.natoms > 0: molfile_traj = pym.OpenMolfile(self.trajfile, file_format=filetrajformat, natoms=self.natoms, silent=False) - if molfile_traj.trajectory is not None: - trajhandler_check = molfile_traj + if molfile_traj is not None: + if molfile_traj.trajectory is not None: + trajhandler_check = molfile_traj if trajhandler_check: trajhandler = None trajhandler = self.pymolfile_iread(trajhandler_check) @@ -1441,8 +1444,9 @@ class MDDataAccess(object): if self.natoms is not None: if self.natoms > 0: molfile_traj = pym.OpenMolfile(self.trajfile, file_format=filetrajformat, natoms=self.natoms, silent=False) - if molfile_traj.trajectory is not None: - trajhandler_check = molfile_traj + if molfile_traj is not None: + if molfile_traj.trajectory is not None: + trajhandler_check = molfile_traj if trajhandler_check: trajhandler = None trajhandler = self.pymolfile_iread(trajhandler_check)