Structure data I/O (sknano.io)

Contents

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.
DATAIOError
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.
XYZIOError
XYZ2DATAConverter(xyzfile, **kwargs)	StructureConverter class for converting xyz to LAMMPS data format.