Structure data I/O (


Base I/O classes to inherit from when creating new I/O classes

StructureIO([fpath, fname]) Base class for structure data file input and output.
StructureReader Structure data reader base class.
StructureWriter Structure data writer base class.
StructureFormatSpec(**kwargs) Base class for defining a format specification.
StructureIOError Base class for StructureIO errors.
StructureConverter([infile, outfile]) Abstract base class for converting structure data.

I/O classes for the LAMMPS data structure data format

DATAReader(fpath[, atom_style, bond_style, ...]) StructureIO class for reading LAMMPS data file format.
DATAWriter StructureWriter class for writing LAMMPS data file format.
DATAData([fpath]) Class for reading and writing StructureIO in LAMMPS data format.
DATAFormatSpec([atom_style, bond_style, ...]) StructureFormatSpec class the LAMMPS data format spec.
DATA2XYZConverter(datafile, **kwargs) StructureConverter class for converting LAMMPS data to xyz format.

I/O classes for the xyz structure data format

XYZReader(fpath, **kwargs) StructureIO class for reading xyz chemical file format.
XYZWriter StructureWriter class for writing xyz chemical file format.
XYZData([fpath]) Class for reading and writing StructureData in xyz format.
XYZFormatSpec(**kwargs) StructureFormatSpec class defining properties for xyz format.
XYZ2DATAConverter(xyzfile, **kwargs) StructureConverter class for converting xyz to LAMMPS data format.