cctbx.sgtbx.direct_space_asu package

Module contents

class cctbx.sgtbx.direct_space_asu.direct_space_asu(hall_symbol, cuts=[])

Bases: object

Methods

add_buffer(unit_cell[, thickness, ...])
add_plane(normal_direction[, point])
add_planes(normal_directions[, point, ...])
box_max([shape_vertices])
box_min([shape_vertices])
change_basis(cb_op)
define_metric(unit_cell)
extract_all_cuts()
in_which_cuts(point)
is_inside(point[, shape_only]) Check if a given point in direct space is inside the asymmetric unit.
shape_only()
shape_vertices()
show_comprehensive_summary([f])
show_summary([f])
add_buffer(unit_cell, thickness=None, relative_thickness=None)
add_plane(normal_direction, point=None)
add_planes(normal_directions, point=None, both_directions=False)
box_max(shape_vertices=None)
box_min(shape_vertices=None)
change_basis(cb_op)
define_metric(unit_cell)
extract_all_cuts()
in_which_cuts(point)
is_inside(point, shape_only=False)

Check if a given point in direct space is inside the asymmetric unit. The coordinates of the point are expected to be factional coordinates. To use cartesian coordinates you can use something like: asu.is_inside(unit_cell.fractionalize(site_cart)).

Parameters:shape_only (boolean) – If set to ‘True’ ??? #XXX what exactly is this option for?
Returns:True if point is inside the asymmetric unit
Return type:boolean
shape_only()
shape_vertices()
show_comprehensive_summary(f=None)
show_summary(f=None)

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