StructureData

class sknano.io.StructureData(fpath=None, fname=None, formatter=None, **kwargs)[source] [edit on github][source]

Bases: sknano.io.StructureIOMixin, sknano.core.structures.StructureBase, sknano.core.meta.BaseClass

Base class for structure data file input and output.

Parameters:fpath ({None, str}, optional) –

Attributes

atoms Structure Atoms.
basis Structure BasisAtoms.
comment_line Comment line.
crystal_cell Structure CrystalCell.
fmtstr Format string.
lattice Structure Crystal3DLattice.
lattice_shift Lattice displacement vector.
scaling_matrix CrystalCell.scaling_matrix.
structure An alias to self.
unit_cell Structure UnitCell.

Methods

clear() Clear list of StructureMixin.atoms.
make_supercell(scaling_matrix[, wrap_coords]) Make supercell.
read(*args[, fname, structure_format]) Read structure data.
read_data(*args, **kwargs) Read LAMMPS Data file.
read_dump(*args, **kwargs) Read LAMMPS Dump file.
read_pdb(*args, **kwargs) Read PDB file.
read_xyz(*args, **kwargs) Read XYZ file.
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.
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

comment_line Comment line.

Methods Summary

todict() Return dict of constructor parameters.

Attributes Documentation

comment_line

Comment line.

Methods Documentation

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

Return dict of constructor parameters.