def test_fs_mutinf(): traj = FsPeptide().get().trajectories[0] idx = [at.index for at in traj.topology.atoms if at.residue.index in [3, 4, 5, 6, 7, 8]] traj = traj.atom_slice(atom_indices=idx)[::100] yield _test_mi_alpha, traj yield _test_mi_contact, traj yield _test_mi_dihedral, traj
def test_fs_mutinf(): traj = FsPeptide().get().trajectories[0] idx = [ at.index for at in traj.topology.atoms if at.residue.index in [3, 4, 5, 6, 7, 8] ] traj = traj.atom_slice(atom_indices=idx)[::100] yield _test_mi_alpha, traj yield _test_mi_contact, traj yield _test_mi_dihedral, traj
def test_fs_tent(): traj1, traj2 = FsPeptide().get().trajectories[:2] idx = [at.index for at in traj1.topology.atoms if at.residue.index in [3, 4, 5, 6, 7, 8]] traj1 = traj1.atom_slice(atom_indices=idx)[::100] traj2 = traj2.atom_slice(atom_indices=idx)[::100] traj = (traj1, traj2) yield _test_tent_alpha, traj yield _test_tent_contact, traj yield _test_tent_dihedral, traj
def test_fs_tent(): traj1, traj2 = FsPeptide().get().trajectories[:2] idx = [ at.index for at in traj1.topology.atoms if at.residue.index in [3, 4, 5, 6, 7, 8] ] traj1 = traj1.atom_slice(atom_indices=idx)[::100] traj2 = traj2.atom_slice(atom_indices=idx)[::100] traj = (traj1, traj2) yield _test_tent_alpha, traj yield _test_tent_contact, traj yield _test_tent_dihedral, traj