sknano.io.XYZData

class sknano.io.XYZData(fpath=None, **kwargs)

Class for reading and writing StructureData in xyz format.

Parameters:fpath : 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()	Read xyz file.
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([xyzfile])	Write xyz file.
write_data(**kwargs)
write_dump(**kwargs)
write_xyz(**kwargs)