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chemlab Documentation, Release 0.4
m_array (System attribute), 52
mass (Atom attribute), 49
mass (Molecule attribute), 51
matrix (Camera attribute), 85
matrix()
(chemlab.graphics.transformations.Arcball
method), 89
merge_systems() (in module chemlab.core), 57
mol_export (System attribute), 53
mol_indices (System attribute), 53
mol_n_atoms (System attribute), 54
mol_to_atom_indices() (chemlab.core.System method),
55
molecular_orbital() (in module chemlab.qc), 109
Molecule (class in chemlab.core), 50
MolIO (class in chemlab.io.handlers), 60
mouse_rotate()
(chemlab.graphics.camera.Camera
method), 85
mouse_zoom()
(chemlab.graphics.camera.Camera
method), 85
move_to() (chemlab.core.Molecule method), 52
msg (in module chemlab.mviewer.api.core), 105
N
n_atoms (Molecule attribute), 51
n_atoms (System attribute), 53
n_mol (System attribute), 53
next()
(chemlab.graphics.transformations.Arcball
method), 89
NoEffect (class in chemlab.graphics.postprocessing), 80
normalized()
(in
module
chemlab.graphics.transformations), 93
O
orbit_x() (chemlab.graphics.camera.Camera method), 85
orbit_y() (chemlab.graphics.camera.Camera method), 86
orthogonalization_matrix()
(in
module
chemlab.graphics.transformations), 93
OutlineEffect (class in chemlab.graphics.postprocessing),
80
P
paintGL() (chemlab.graphics.QChemlabWidget method),
84
PdbIO (class in chemlab.io.handlers), 60
pivot (Camera attribute), 85
place()
(chemlab.graphics.transformations.Arcball
method), 89
PointRenderer (class in chemlab.graphics.renderers), 72
position (Camera attribute), 84
projection (Camera attribute), 85
projection_from_matrix()
(in
module
chemlab.graphics.transformations), 94
projection_matrix()
(in
module
chemlab.graphics.transformations), 94
Index
Q
QChemlabWidget (class in chemlab.graphics), 82
QtTrajectoryViewer (class in chemlab.graphics), 66
QtViewer (class in chemlab.graphics), 64
quaternion_about_axis()
(in
module
chemlab.graphics.transformations), 95
quaternion_conjugate()
(in
module
chemlab.graphics.transformations), 95
quaternion_from_euler()
(in
module
chemlab.graphics.transformations), 95
quaternion_from_matrix()
(in
module
chemlab.graphics.transformations), 95
quaternion_imag()
(in
module
chemlab.graphics.transformations), 95
quaternion_inverse()
(in
module
chemlab.graphics.transformations), 96
quaternion_matrix()
(in
module
chemlab.graphics.transformations), 96
quaternion_multiply()
(in
module
chemlab.graphics.transformations), 96
quaternion_real()
(in
module
chemlab.graphics.transformations), 96
quaternion_slerp()
(in
module
chemlab.graphics.transformations), 96
R
r (Atom attribute), 49
r_array (Molecule attribute), 50
r_array (System attribute), 52
random_lattice_box() (in module chemlab.core), 57
random_quaternion()
(in
module
chemlab.graphics.transformations), 96
random_rotation_matrix()
(in
module
chemlab.graphics.transformations), 97
random_vector()
(in
module
chemlab.graphics.transformations), 97
RcsbDB (class in chemlab.db), 104
read() (chemlab.io.handlers.IOHandler method), 62
read() (CmlIO method), 58
read() (EdrIO method), 59
read() (GromacsIO method), 59
read() (MolIO method), 60
read() (PdbIO method), 60
read() (XtcIO method), 60, 61
read() (XyzIO method), 61
reflection_from_matrix()
(in
module
chemlab.graphics.transformations), 97
reflection_matrix()
(in
module
chemlab.graphics.transformations), 97
remotefile() (in module chemlab.io), 58
remove_atoms() (chemlab.core.System method), 55
remove_molecules() (chemlab.core.System method), 55
remove_post_processing() (chemlab.graphics.QtViewer
method), 65
117