MWNTGeneratorBase

class sknano.generators.MWNTGeneratorBase(*args, autogen=True, finalize=True, **kwargs)[source] [edit on github][source]

Bases: sknano.generators.NanoStructureGenerator

Mixin MWNT structure generator.

Attributes

Natoms N atoms.
atoms Structure Atoms.
basis Structure BasisAtoms.
crystal_cell Structure CrystalCell.
lattice Structure Crystal3DLattice.
lattice_shift Lattice displacement vector.
mass Total mass of atoms.
scaling_matrix CrystalCell.scaling_matrix.
structure An alias to self.
unit_cell Structure UnitCell.

Methods

clear() Clear list of StructureMixin.atoms.
finalize() Finalize structure data by assigning unique ids and types to structure atoms.
generate([finalize]) Generate structure data.
make_supercell(scaling_matrix[, wrap_coords]) Make supercell.
rotate(**kwargs) Rotate crystal cell lattice, basis, and unit cell.
save(*args, **kwargs) An alias for write.
transform_lattice(scaling_matrix[, ...]) Transform structure lattice.
translate(t[, fix_anchor_points]) Translate crystal cell lattice, basis, and unit cell.
write(*args, **kwargs) Write structure data to file.
write_data(**kwargs) Write LAMMPS data file.
write_dump(**kwargs) Write LAMMPS dump file.
write_pdb(**kwargs) Write pdb file.
write_xyz(**kwargs) Write xyz file.

Methods Summary

generate([finalize]) Generate structure data.

Methods Documentation

generate(finalize=True)[source] [edit on github][source]

Generate structure data.

Todo

Load the diameter and chirality data from file instead of generating it every time.