MWNTBase

class sknano.core.structures.MWNTBase(Ch_list=None, Nwalls=None, Lz=None, nz=None, min_wall_diameter=None, max_wall_diameter=None, max_walls=None, chiral_types=None, wall_spacing=3.4, **kwargs)

Bases: sknano.core.structures.MWNTMixin, sknano.core.structures.NanoStructureBase

MWNT structure class.

Parameters:

• Ch_list (list, optional) – (n, m) for each SWNT wall in MWNT.
• Nwalls (int, optional) – Number of SWNT walls in MWNT.
• Lz (float, optional) – MWNT length in Angstroms.
• min_wall_diameter (float, optional) – Minimum MWNT wall diameter, in units of Angstroms.
• max_wall_diameter (float, optional) – Maximum MWNT wall diameter, in units of Angstroms.
• max_walls (int, optional) – Maximum number of MWNT walls.
• chiral_types ({None, 'armchair', 'zigzag', 'achiral', 'chiral'}, optional) – If None, the chiral_type of each MWNT walls will be random and determined by the set of randomly selected chiral indices (n, m).
• wall_spacing (float, optional) – Inter-wall spacing in units of Angstroms. Default value is the van der Waals interaction distance of 3.35 Angstroms.
• basis ({list}, optional) –

  List of strs of element symbols or atomic number of the two atom basis (default: [‘C’, ‘C’])

  New in version 0.3.10.

• element2 (element1,) –

  Element symbol or atomic number of basis Atom 1 and 2

  Deprecated since version 0.3.10: Use basis instead

• bond (float, optional) – \(\mathrm{a}_{\mathrm{CC}} =\) distance between nearest neighbor atoms, in units of Angstroms.
• verbose (bool, optional) – if True, show verbose output

Attributes

Ch_list	List of chiralities.
Lz	MWNT length in Angstroms.
Lz_list	MWNT length \(L_z = L_{\mathrm{tube}}\) in Angstroms.
Natoms	Number of atoms in MWNT.
Natoms_list	List of MWNT SWNT wall’s number of atoms Natoms.
Natoms_per_tube	Number of atoms in MWNT.
Natoms_per_wall	Alias for MWNT.Natoms_list
Nwalls	Number of MWNT walls.
T_list	Length of MWNT unit cell \(|\mathbf{T}|\) in Å.
atoms	Structure Atoms.
basis	NanoStructureBase basis objects.
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.
lattice_shift	Lattice displacement vector.
mass	MWNT mass in grams.
max_wall_diameter	Maximum wall diameter.
max_walls	Maximum number of walls.
min_wall_diameter	Minimum wall diameter.
nz	Number of nanotube unit cells along the \(z\)-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	An alias to self.
tube_mass	An alias for mass.
unit_cell	Structure UnitCell.
vdw_distance	Van der Waals distance.
vdw_radius	Van der Waals radius
wall_diameters	Alias for MWNTMixin.dt_list.
wall_masses	List of MWNT SWNT wall diameters dt \(d_t=\frac{|\mathbf{C}_h|}{\pi}\) in Å.
wall_radii	Alias for MWNTMixin.rt_list.
wall_spacing	Wall-to-wall spacing.
walls	List of MWNT SWNT wall structures.

Methods

clear()	Clear list of StructureMixin.atoms.
generate_Ch_list([Nwalls, max_walls, ...])	Generate list of chiralities.
generate_dt_mask(dt[, max_dt_diff])	Generate boolean mask array.
generate_unit_cell()	Generate Nanotube unit cell.
get_wall(Ch)	Return the SWNT structure with chirality Ch.
make_supercell(scaling_matrix[, wrap_coords])	Make supercell.
rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
todict()	Return dict of MWNT attributes.
transform_lattice(scaling_matrix[, ...])	Transform structure lattice.
translate(t[, fix_anchor_points])	Translate crystal cell lattice, basis, and unit cell.
update_Ch_list([Nwalls, min_wall_diameter, ...])	Update MWNTMixin.Ch_list.

Methods Summary

generate_unit_cell()	Generate Nanotube unit cell.
todict()	Return dict of MWNT attributes.

Methods Documentation

generate_unit_cell()

Generate Nanotube unit cell.

todict()

Return dict of MWNT attributes.