sknano.io.DATAData

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

Class for reading and writing StructureIO in LAMMPS data format.

Parameters:fpath : str, optional

Attributes

atoms
comment_line	Comment line.
headers	dict of dump file header values
sections

Methods

delete(key)
format_spec([atom_style])
get(section[, colnum, colname, colindex])	Return section with section.
map(*pairs)
maxbox()
maxtype()
newxyz()
read()	Read data file.
reorder(colname, *order)
replace(section, new_data[, colnum, ...])	Replace section data.
viz(isnap)
write([datafile])	Write data file.