ZMatrixCoordinateSystem
Represents ZMatrix coordinates generally
name: str
__init__(self, converter_options=None, dimension=(None, None), coordinate_shape=(None, 3), spec=None, **opts):
converter_options:None | dictoptions to be passed through to a
CoordinateSystemConvertercoordinate_shape:Iterable[None | int]shape of a single coordinate in this coordiante system
dimension:Iterable[None | int]the dimension of the coordinate system
opts:Anyother options, if
converter_optionsis None, these are used as theconverter_options
@staticmethod
jacobian_prep_coordinates(coord, displacements, values, dihedral_cutoff=6):
to_state(self, serializer=None):
@classmethod
canonicalize_order_list(self, ncoords, order_list):
Normalizes the way the ZMatrix coordinates are built out
ncoords:Anyorder_list:iterable or Nonethe basic ordering to apply for the
:returns:iterator of int triples
@classmethod
tile_order_list(self, ol, ncoords):
@property
ordering(self):
@property
spec(self):
pre_convert_to(self, system, opts=None):