gemmi.FloatGrid class

Classes

class Point

Static methods

def get_subarray(…)
def set_subarray(…)
def tricubic_interpolation_der(…)

Methods

def add_soft_edge_to_mask(self, arg0: float, /) -> None
def calculate_correlation(self, arg0: FloatGridBase, /) -> Correlation
def change_values(self, old_value: float, new_value: float) -> None
def clone(self, /) -> FloatGrid
def copy_metadata_from(self, arg0: GridMeta, /) -> None
def fill(self, value: float) -> None
def get_fractional(self, arg0: int, arg1: int, arg2: int, /) -> Fractional
def get_nearest_point(self, arg0: Position, /) -> Point
def get_nonzero_extent(self, /) -> FractionalBox
def get_point(self, arg0: int, arg1: int, arg2: int, /) -> Point
def get_position(self, arg0: int, arg1: int, arg2: int, /) -> Position
def get_value(self, arg0: int, arg1: int, arg2: int, /) -> float
def index_to_point(self, arg0: int, /) -> Point
def interpolate_value(self, arg0: Fractional, /) -> float
def interpolate_value(self, arg0: Position, /) -> float
def interpolate_values(self, arg0: numpy.ndarray[numpy.float32], arg1: Transform, order: int = 2) -> None
def mask_points_in_constant_radius(self, model: Model, radius: float, value: float, ignore_hydrogen: bool = False, ignore_zero_occupancy_atoms: bool = False) -> None
def masked_asu(self, /) -> MaskedFloatGrid
def normalize(self, /) -> None
def point_to_fractional(self, arg0: Point, /) -> Fractional
def point_to_index(self, arg0: Point, /) -> int
def point_to_position(self, arg0: Point, /) -> Position
def resample_to(self, dest: FloatGrid, order: int) -> None
def set_points_around(self, position: Position, radius: float, value: float, use_pbc: bool = True) -> None
def set_size(self, arg0: int, arg1: int, arg2: int, /) -> None
def set_size_from_spacing(self, spacing: float, rounding: GridSizeRounding) -> None
def set_unit_cell(self, arg0: UnitCell, /) -> None
def set_value(self, arg0: int, arg1: int, arg2: int, arg3: float, /) -> None
def setup_from(self, st: Structure, spacing: float) -> None
def sum(self, /) -> float
def symmetrize_abs_max(self, /) -> None
def symmetrize_avg(self, /) -> None
def symmetrize_max(self, /) -> None
def symmetrize_min(self, /) -> None
def symmetrize_sum(self, /) -> None
def tricubic_interpolation(self, arg0: Fractional, /) -> float
def tricubic_interpolation(self, arg0: Position, /) -> float

Special methods

def __init__(self, /) -> None
def __init__(self, nx: int, ny: int, nz: int) -> None
def __init__(self, arg0: numpy.ndarray[numpy.float32], cell: UnitCell = None, spacegroup: SpaceGroup = None) -> None
def __iter__(self, /) -> typing.Iterator
def __repr__(self, /) -> str

Properties

array: numpy.ndarray[numpy.float32] get
axis_order: AxisOrder get
nu: int get
size in the first (fastest-changing) dim
nv: int get
size in the second dimension
nw: int get
size in the third (slowest-changing) dim
point_count: int get
shape: tuple get
spacegroup: SpaceGroup get set
spacing: tuple get
unit_cell: UnitCell get set