sknano.io.StructureIO

class sknano.io.StructureIO(fpath=None, fname=None, **kwargs)[source][source]

Base class for structure data file input and output.

Parameters:fpath : {None, str}, optional

Attributes

atoms Structure StructureAtoms.
basis Structure BasisAtoms.
comment_line Comment line.
crystal_cell Structure CrystalCell.
lattice Structure Crystal3DLattice.
scaling_matrix CrystalCell.scaling_matrix.
structure Pointer to self.
structure_data Alias for BaseStructureMixin.structure.
unit_cell Structure UnitCell.

Methods

clear() Clear list of BaseStructureMixin.atoms.
make_supercell(scaling_matrix[, wrap_coords]) Make supercell.
read_data(*args, **kwargs)
read_dump(*args, **kwargs)
read_xyz(*args, **kwargs)
rotate(**kwargs) Rotate crystal cell lattice, basis, and unit cell.
transform_lattice(scaling_matrix[, ...])
translate(t[, fix_anchor_points]) Translate crystal cell basis.
write_data(**kwargs)
write_dump(**kwargs)
write_xyz(**kwargs)