def test_show_htmd():
mol = MagicMock()
mol.write = _write
n_frames = 10
mol.coordinates = np.zeros((n_frames, 1000, 3))
mol.numFrames = n_frames
view = nglview.show_htmd(mol)
view
def test_show_htmd():
from htmd import Molecule
fn = nv.datafiles.PDB
traj = Molecule(fn)
view = nv.show_htmd(traj)
# trigger updating cooridnates
view.frame = 100
index = 0
view.frame = index
xyz_htmd = np.squeeze(traj.coords[:, :, index])
aa_eq(view._coordinates_dict[0], xyz_htmd)
def test_show_htmd():
from htmd import Molecule
fn = nv.datafiles.PDB
traj = Molecule(fn)
view = nv.show_htmd(traj)
# trigger updating cooridnates
view.frame = 100
index = 0
view.frame = index
xyz_htmd = np.squeeze(traj.coords[:, :, index])
aa_eq(view.coordinates_dict[0], xyz_htmd)