def setup(self):
self.traj = load_traj()
self.n_frames = self.traj["XYZList"].shape[0]
self.n_atoms = self.traj["XYZList"].shape[1]
# RMSD from frame 0 to other frames
self.target = np.array([0, 0, 0.63297522])
def setup(self):
self.traj = load_traj()
self.n_frames = self.traj.n_frames
self.n_atoms = self.traj.n_atoms
# RMSD from frame 0 to other frames
self.target = np.array([0,0,0.63297522])
def setup(self):
self.traj = load_traj()
self.n_frames = self.traj['XYZList'].shape[0]
self.n_atoms = self.traj['XYZList'].shape[1]
# RMSD from frame 0 to other frames
self.target = np.array([0, 0, 0.63297522])
def setup(self):
self.traj = load_traj()
self.n_frames = self.traj.n_frames
self.n_atoms = self.traj.n_atoms
# RMSD from frame 0 to other frames
self.target = np.array([0,0,0.63297522])
def setUp(self):
self.traj = load_traj()
self.n_frames = self.traj['XYZList'].shape[0]
self.n_atoms = self.traj['XYZList'].shape[1]
def setUp(self):
self.traj = load_traj()
self.n_frames = self.traj['XYZList'].shape[0]
self.n_atoms = self.traj['XYZList'].shape[1]
