LayeredStructureGenerator

class sknano.generators.LayeredStructureGenerator(cfgfile=None, **kwargs)

Bases: sknano.generators.GeneratorBase, sknano.core.structures.StructureBase, sknano.core.meta.BaseClass

Class for generating structures.

Parameters:cfgfile (str) –

Attributes

Natoms	N atoms.
atoms	Structure Atoms.
basis	Structure BasisAtoms.
crystal_cell	Structure CrystalCell.
fmtstr	Format string.
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

call_signature
clear()	Clear list of StructureMixin.atoms.
finalize()	Finalize structure data by assigning unique ids and types to structure atoms.
generate()
generate_fname()
make_supercell(scaling_matrix[, wrap_coords])	Make supercell.
rotate(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
save([fname, structure_format])
todict()
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.

Attributes Summary

call_signature

Methods Summary

generate()
generate_fname()
save([fname, structure_format])
todict()

Attributes Documentation

call_signature = Group:({[{Forward: ... Suppress:(",")}] [Forward: ...]...})

Methods Documentation

generate()

generate_fname()

save(fname=None, structure_format=None, **kwargs)

todict()