LayeredStructureGenerator

class sknano.generators.LayeredStructureGenerator(cfgfile=None, **kwargs)[source] [edit on github][source]

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: ...]...})[source]

Methods Documentation

generate()[source] [edit on github][source]
generate_fname()[source] [edit on github][source]
save(fname=None, structure_format=None, **kwargs)[source] [edit on github][source]
todict()[source] [edit on github][source]