SWNTBase¶
-
class
sknano.core.structures.
SWNTBase
(*Ch, nz=None, gutter=None, Lz=None, fix_Lz=False, wrap_coords=False, **kwargs)[source] [edit on github][source]¶ Bases:
sknano.core.structures.SWNTMixin
,sknano.core.structures.NanoStructureBase
Base SWNT structure class.
Attributes
Ch
SWNT circumference |Ch| in Å Ch_vec
SWNT chiral vector. Lz
SWNT length Lz=Ltube in Angstroms. M
M=np−nq N
Number of graphene hexagons in nanotube unit cell. Natoms
Number of atoms in nanotube. Natoms_per_tube
Number of atoms in nanotube Natoms/tube. Natoms_per_unit_cell
Number of atoms in nanotube unit cell. R
Symmetry vector R=(p,q). T
Length of nanotube unit cell |T| in Å. Tvec
SWNT
translation vector.atoms
Structure Atoms
.basis
NanoStructureBase
basis objects.chiral_angle
Chiral angle θc in degrees. chiral_type
SWNT
chiral type.crystal_cell
Structure CrystalCell
.d
d=gcd dR
d_R=\gcd{(2n + m, 2m + n)} dt
Nanotube diameter d_t = \frac{|\mathbf{C}_h|}{\pi} in Å. electronic_type
SWNT electronic type. element1
Basis element 1 element2
Basis element 2 fix_Lz
bool
indicating whetherSWNTMixin.Lz
is fixed or calculated.fmtstr
Format string. lattice
Structure Crystal3DLattice
.lattice_shift
Lattice displacement vector. linear_mass_density
Linear mass density of nanotube in g/Å. m
Chiral index m. mass
SWNT mass in grams. n
Chiral index n. nz
Number of nanotube unit cells along the z-axis. rt
Nanotube radius r_t = \frac{|\mathbf{C}_h|}{2\pi} in Å. scaling_matrix
CrystalCell.scaling_matrix
.structure
An alias to self
.t1
t_{1} = \frac{2m + n}{d_{R}} t2
t_2 = -\frac{2n + m}{d_R} tube_length
Alias for SWNT.Lz
tube_mass
An alias for mass
.unit_cell
Structure UnitCell
.unit_cell_mass
Unit cell mass in atomic mass units. unit_cell_symmetry_params
Tuple of SWNT
unit cell symmetry parameters.vdw_distance
Van der Waals distance. vdw_radius
Van der Waals radius Methods
clear
()Clear list of StructureMixin.atoms
.make_supercell
(scaling_matrix[, wrap_coords])Make supercell. rotate
(**kwargs)Rotate crystal cell lattice, basis, and unit cell. todict
()Return dict
ofSWNT
attributes.transform_lattice
(scaling_matrix[, ...])Transform structure lattice. translate
(t[, fix_anchor_points])Translate crystal cell lattice, basis, and unit cell. Methods Summary
todict
()Return dict
ofSWNT
attributes.Methods Documentation