sknano.io.XYZReader

class sknano.io.XYZReader(fpath, **kwargs)[source][source]

StructureIO class for reading xyz chemical file format.

Parameters:

fpath : str

xyz structure file path.

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_data(**kwargs)
write_dump(**kwargs)
write_xyz(**kwargs)