def test_frame_write_xtc_mdtraj(self): try: os.remove("water_test2.xtc") except IOError: pass logging.disable(logging.WARNING) frame = Frame(gro="test/data/water.gro", xtc="test/data/water.xtc", xtc_reader="mdtraj") logging.disable(logging.NOTSET) while frame.next_frame(): frame.write_xtc("water_test2.xtc")
def test_frame_write_xtc_mdtraj(self): try: os.remove("water_test2.xtc") except IOError: pass logging.disable(logging.WARNING) frame = Frame(gro="test/data/water.gro", xtc="test/data/water.xtc", xtc_reader="mdtraj") logging.disable(logging.NOTSET) while frame.next_frame(): frame.write_xtc("water_test2.xtc")