cctbx::uctbx Namespace Reference

Unit Cell Toolbox namespace. More...


Classes

class  error_iteration_limit_exceeded
 Specific exception to indicate failure of reduction algorithm. More...
class  error_degenerate_unit_cell_parameters
 Specific exception to indicate failure of reduction algorithm. More...
class  fast_minimum_reduction
 Fast minimum-lengths cell reduction. More...
class  unit_cell
 Class for the handling of unit cell information. More...
class  incremental_d_star_sq
 Helper class for optimizing d_star_sq computations in loops over a grid of Miller indices. More...

Functions

float spoil_optimization (float)
 Helper function to disable optimization.
double spoil_optimization (double)
 Helper function to disable optimization.
double d_star_sq_as_stol_sq (double d_star_sq)
 Conversion of d-spacing measures.
double d_star_sq_as_two_stol (double d_star_sq)
 Conversion of d-spacing measures.
double d_star_sq_as_stol (double d_star_sq)
 Conversion of d-spacing measures.
double d_star_sq_as_d (double d_star_sq)
 Conversion of d-spacing measures.
double d_star_sq_as_two_theta (double d_star_sq, double wavelength, bool deg=false)
 Conversion of d-spacing measures.
template<typename FloatType>
FloatType mean_square_difference (scitbx::mat3< FloatType > const &a, scitbx::mat3< FloatType > const &b)


Detailed Description

Unit Cell Toolbox namespace.

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