sknano.structures.MWNTBundle

class sknano.structures.MWNTBundle(*args, *, nx=1, ny=1, bundle_packing=None, bundle_geometry=None, **kwargs)

MWNT bundle structure class.

Attributes

Ch_list
Lx
Ly
Lz_list	MWNT length \(L_z = L_{\mathrm{tube}}\) in nanometers.
Natoms	Number of atoms in nanotube bundle.
Natoms_list
Natoms_per_bundle
Natoms_per_tube	Alias for Natoms_list.
Natoms_per_wall	Alias for MWNT.Natoms_list
Ntubes
Nwalls	Number of MWNT walls.
T_list	Length of MWNT unit cell \(|\mathbf{T}|\) in Å.
atoms	Structure StructureAtoms.
basis	NanoStructureBase basis atoms.
bundle_geometry
bundle_mass
bundle_packing
chiral_set	Set of all chiral types in MWNT.
chiral_types	List of chiral types for each MWNT wall.
crystal_cell	Structure CrystalCell.
dt	MWNT wall diameters \(d_t=\frac{|\mathbf{C}_h|}{\pi}\) in Å.
dt_list	List of MWNT SWNT wall diameters dt \(d_t=\frac{|\mathbf{C}_h|}{\pi}\) in Å.
element1	Basis element 1
element2	Basis element 2
fmtstr	Format string.
lattice	Structure Crystal3DLattice.
max_wall_diameter
max_walls
min_wall_diameter
nx	Number of nanotubes along the \(x\)-axis.
ny	Number of nanotubes along the \(y\)-axis.
nz_list	Number of nanotube unit cells along the \(z\)-axis.
rt	MWNT wall radii \(r_t=\frac{|\mathbf{C}_h|}{2\pi}\) in Å.
rt_list	List of MWNT SWNT wall radii rt \(r_t=\frac{|\mathbf{C}_h|}{2\pi}\) in Å.
scaling_matrix	CrystalCell.scaling_matrix.
structure	Pointer to self.
structure_data	Alias for BaseStructureMixin.structure.
tube_mass	MWNT mass in grams.
unit_cell	Structure UnitCell.
vdw_distance	van der Waals distance.
vdw_radius	van der Waals radius
wall_diameters	Alias for MWNTMixin.dt_list.
wall_radii	Alias for MWNTMixin.rt_list.
wall_spacing
walls	List of MWNT SWNT wall structures.

Methods

clear()	Clear list of BaseStructureMixin.atoms.
generate_Ch_list([Nwalls, max_walls, ...])
generate_bundle_coords()	Generate coordinates of bundle tubes.
generate_dt_mask(dt[, max_dt_diff])	Generate boolean mask array.
get_wall(Ch)	Return the SWNT structure with chirality Ch.
make_supercell(scaling_matrix[, wrap_coords])	Make supercell.
read_data(*args, **kwargs)
read_dump(*args, **kwargs)
read_xyz(*args, **kwargs)
rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
todict()
transform_lattice(scaling_matrix[, ...])
translate(t[, fix_anchor_points])	Translate crystal cell basis.
update_Ch_list([Nwalls, min_wall_diameter, ...])
write_data(**kwargs)
write_dump(**kwargs)
write_xyz(**kwargs)