MWNTMixin

class sknano.core.structures.MWNTMixin

Bases: object

Mixin class for MWNTs.

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.
chiral_set	Set of all chiral types in MWNT.
chiral_types	List of chiral types for each MWNT wall.
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.
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.
tube_mass	An alias for mass.
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

generate_Ch_list([Nwalls, max_walls, ...])	Generate list of chiralities.
generate_dt_mask(dt[, max_dt_diff])	Generate boolean mask array.
get_wall(Ch)	Return the SWNT structure with chirality Ch.
update_Ch_list([Nwalls, min_wall_diameter, ...])	Update MWNTMixin.Ch_list.

Attributes Summary

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.
chiral_set	Set of all chiral types in MWNT.
chiral_types	List of chiral types for each MWNT wall.
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.
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.
tube_mass	An alias for mass.
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 Summary

generate_Ch_list([Nwalls, max_walls, ...])	Generate list of chiralities.
generate_dt_mask(dt[, max_dt_diff])	Generate boolean mask array.
get_wall(Ch)	Return the SWNT structure with chirality Ch.
update_Ch_list([Nwalls, min_wall_diameter, ...])	Update MWNTMixin.Ch_list.

Attributes Documentation

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.

Returns total number of atoms in `MWNT`. Use Natoms_per_wall to get a list of the number of atoms in each MWNT wall.

\[N_{\mathrm{atoms}} = \sum_{\mathrm{walls}}\]

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.

chiral_set

Set of all chiral types in MWNT.

chiral_types

List of chiral types for each MWNT wall.

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.

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.

tube_mass

An alias for mass.

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 Documentation

generate_Ch_list(Nwalls=None, max_walls=None, min_wall_diameter=None, max_wall_diameter=None, chiral_types=None, wall_spacing=None)

Generate list of chiralities.

generate_dt_mask(dt, max_dt_diff=0.5)

Generate boolean mask array.

Parameters:

• dt (float) –
• max_dt_diff (float, optional) –

Returns:

dt_mask

Return type:

ndarray

get_wall(Ch)

Return the SWNT structure with chirality Ch.

update_Ch_list(Nwalls=None, min_wall_diameter=None, max_wall_diameter=None, wall_spacing=None, chiral_types=None)

Update MWNTMixin.Ch_list.