from ...potential_definitions import PotSectionDefinition, \
PotValueDefinition
from ...potential_sections import ASEArraySection
from ....common.grammar_types import Table
[docs]
class ChargeMomentsSection(ASEArraySection):
pass
[docs]
class ChargeMomentsSectionDefinition(PotSectionDefinition):
array_name = 'charge_moments'
[docs]
def __init__(self, name='CHARGE MOMENTS', **kwargs):
V = PotValueDefinition
members = [
V('DATA', Table(numbering='IQ', grouping=True, group_size='NLMTOP-CHR',
CMNTQ=float, numbering_format='{:>10}', grouping_format='{:>3}',
flatten=True),
name_in_grammar=False, is_optional=True
)
]
super().__init__(name, members, has_hidden_members=True, is_optional=True)
result_class = ChargeMomentsSection
section = ChargeMomentsSectionDefinition