pyspinw.cif

CIF File Loading

Functions

load_cif(filename, supercell, entry_index[, ...])	Load a CIF file in as a structure
load_mcif(filename[, entry_index, verbose])	Load a mCIF file in as a structure
parse_float_entry(s)	Parse a float entry, they can have brackets for values that go beyond the specified precision

Exceptions

LoadError

Error thrown when loading fails

exception pyspinw.cif.LoadError

Bases: Exception

Error thrown when loading fails

pyspinw.cif.load_cif(filename: str | Path, supercell: Supercell = <pyspinw.symmetry.supercell.TiledSupercell object>, entry_index: int = 0, verbose=False) → Structure

Load a CIF file in as a structure

pyspinw.cif.load_mcif(filename: str | Path, entry_index: int = 0, verbose: bool = False) → Structure

Load a mCIF file in as a structure

pyspinw.cif.parse_float_entry(s: str)

Parse a float entry, they can have brackets for values that go beyond the specified precision