/ . / Crystal / unit_cell.py
Functions
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unit_cell_skew
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unit_cell_skew (
alpha,
beta,
gamma,
)
Angle arguments must be in radians.
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unit_cell_axes
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unit_cell_axes (
a,
b,
c,
alpha,
beta,
gamma,
)
Angle arguments must be in radians.
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cell_center
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cell_center (
grid_origin,
axes,
interior_point,
)
Find center of cell in unit cell grid containing specified point.
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space_group_matrices
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space_group_matrices (
space_group,
a,
b,
c,
alpha,
beta,
gamma,
)
Angle arguments must be in radians.
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cell_origin
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cell_origin (
grid_origin,
axes,
interior_point,
)
Compute the corner position of unit cell containing a specified point.
The grid_origin is specified in crystallographic coords (ie the axes basis).
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unit_cell_to_xyz_matrix
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unit_cell_to_xyz_matrix (
a,
b,
c,
alpha,
beta,
gamma,
)
Angle arguments must be in radians.
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close_packing_matrices
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close_packing_matrices (
tflist,
ref_point,
center,
a,
b,
c,
alpha,
beta,
gamma,
)
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