def test_parse_poscar_silly_write(fresh_aiida_env, vasp_structure, tmpdir):
"""
Parse (read, write) a reference POSCAR with silly elemental names.
Using the PoscarParser and compare the result to a reference structure.
"""
parser = PoscarParser(data=vasp_structure)
result = parser.get_quantity('poscar-structure', {})
names = result['poscar-structure'].get_site_kindnames()
assert names == ['Hamburger', 'Pizza']
symbols = result['poscar-structure'].get_symbols_set()
assert symbols == set(['As', 'In'])
temp_file = str(tmpdir.join('POSCAR'))
parser.write(temp_file)
parser = PoscarParser(file_path=temp_file)
result_reparse = parser.structure
names = result_reparse.get_site_kindnames()
assert names == ['Hamburger', 'Pizza']
symbols = result_reparse.get_symbols_set()
assert symbols == set(['X', 'X'])
def test_parse_poscar_undercase(fresh_aiida_env, vasp_structure, tmpdir):
"""
Parse a reference POSCAR.
With potential elemental names using the PoscarParser and compare
the result to a reference structure.
"""
parser = PoscarParser(data=vasp_structure)
result = parser.get_quantity('poscar-structure', {})
names = result['poscar-structure'].get_site_kindnames()
assert names == ['In', 'As', 'As', 'In_d', 'In_d', 'As']
symbols = result['poscar-structure'].get_symbols_set()
assert symbols == set(['As', 'In'])
temp_file = str(tmpdir.join('POSCAR'))
parser.write(temp_file)
parser = PoscarParser(file_path=temp_file)
result_reparse = parser.structure
names = result_reparse.get_site_kindnames()
assert names == ['In', 'As', 'As', 'In_d', 'In_d', 'As']
symbols = result_reparse.get_symbols_set()
assert symbols == set(['As', 'In'])