UnrolledSWNTBase

class sknano.core.structures.UnrolledSWNTBase(*args, nx=1, Lx=None, fix_Lx=False, **kwargs)[source] [edit on github][source]

Bases: sknano.core.structures.UnrolledSWNTMixin, sknano.core.structures.SWNTBase, sknano.core.structures.GrapheneBase, sknano.core.structures.NanoStructureBase

Base unrolled SWNT structure class.

Attributes

Ch SWNT circumference \(|\mathbf{C}_h|\) in
Ch_vec SWNT chiral vector.
Lx Axis-aligned length along the x-axis in Angstroms.
Ly Axis-aligned length along the y-axis in Angstroms.
Lz SWNT length \(L_z = L_{\mathrm{tube}}\) in Angstroms.
M \(M = np - nq\)
N Number of graphene hexagons in nanotube unit cell.
Natoms Number of atoms in nanotube.
Natoms_per_layer Number of atoms per layer.
Natoms_per_tube Number of atoms in nanotube \(N_{\mathrm{atoms/tube}}\).
Natoms_per_unit_cell Number of atoms in nanotube unit cell.
R Symmetry vector \(\mathbf{R} = (p, q)\).
T Length of nanotube unit cell \(|\mathbf{T}|\) in Å.
Tvec SWNT translation vector.
area Total area of graphene supercell.
atoms Structure Atoms.
basis NanoStructureBase basis objects.
chiral_angle Chiral angle \(\theta_c\) in degrees.
chiral_type SWNT chiral type.
crystal_cell Structure CrystalCell.
d \(d=\gcd{(n, m)}\)
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_Lx bool indicating whether UnrolledSWNTMixin.Lx is fixed or calculated.
fix_Lz bool indicating whether SWNTMixin.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 \(n\).
n1 Number of unit cells along Crystal3DLattice.a1.
n2 Number of unit cells along Crystal3DLattice.a2.
nlayers Number of layers.
nx Number of unit cells along the \(x\)-axis.
ny An alias for UnrolledSWNTMixin.nlayers.
nz Number of nanotube unit cells along the \(z\)-axis.
r1 Vector GrapheneMixin.n1 \(\times\) Crystal3DLattice.a1.
r2 Vector GrapheneMixin.n2 \(\times\) Crystal3DLattice.a2.
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 of constructor parameters.
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 of constructor parameters.

Methods Documentation

todict()[source] [edit on github][source]

Return dict of constructor parameters.