cctbx Namespace Reference

Common cctbx namespace. More...


Classes

class  cartesian
 Class for cartesian (orthogonal, real) coordinates. More...
class  fractional
 Class for fractional coordinates. More...
class  grid_point
 Class for grid_point coordinates. More...
class  crystal_orientation
 Class for the handling of crystal orientation matrix. More...
struct  bin
class  cumulative_intensity
class  error
 All cctbx exceptions are derived from this class. More...
class  error_index
 Special class for "Index out of range." exceptions. More...
class  hendrickson_lattman
 Grouping of Hendrickson-Lattman coefficients. More...
struct  tagged_value

Namespaces

namespace  adptbx
 ADP (anisotropic displacement parameters) Toolbox namespace.
namespace  crystal
 Crystal symmetry: unit cell + space group.
namespace  dmtbx
 Direct methods toolbox.
namespace  eltbx
 Element Toolbox namespace.
namespace  geometry_restraints
 Geometry restraints (bond, angle, etc.).
namespace  maptbx
 Map algorithms.
namespace  miller
 Miller index namespace.
namespace  sgtbx
 Space Group Toolbox namespace.
namespace  translation_search
 Translation searches.
namespace  uctbx
 Unit Cell Toolbox namespace.
namespace  xray
 X-ray scatterer and structure factor namespace.

Typedefs

typedef scitbx::vec3< double > oc_vec3
 Shorthand for default vec3 type in orientation toolbox.
typedef scitbx::mat3< double > oc_mat3
 Shorthand for default mat3 type in orientation toolbox.
typedef scitbx::af::shared
< oc_vec3
oc_vec3_list
 Shorthand for default vector list in orientation toolbox.
typedef scitbx::vec3< int > sg_vec3
 Shorthand for default vec3 type in space group toolbox.
typedef scitbx::mat3< int > sg_mat3
 Shorthand for default mat3 type in space group toolbox.
typedef scitbx::vec3< double > uc_vec3
 Shorthand for default vec3 type in unit cell toolbox.
typedef scitbx::mat3< double > uc_mat3
 Shorthand for default mat3 type in unit cell toolbox.
typedef scitbx::sym_mat3< double > uc_sym_mat3
 Shorthand for default sym_mat3 type in unit cell toolbox.

Enumerations

enum  basis_type { direct = 0, reciprocal = 1 }

Functions

template<typename FloatType>
oc_vec3 vector_rotate_thru (oc_vec3 const &vec, oc_vec3 const &unit, FloatType const &angle)
 Rotation of a vector.
template<typename floatType>
floatType expectEFWacen (floatType eosq, floatType sigesq)
template<typename floatType>
floatType expectEsqFWacen (floatType eosq, floatType sigesq)
template<typename floatType>
floatType expectEFWcen (floatType eosq, floatType sigesq)
template<typename floatType>
floatType expectEsqFWcen (floatType eosq, floatType sigesq)
template<typename floatType>
floatType expectEFW (floatType eosq, floatType sigesq, bool centric)
template<typename floatType>
floatType expectEsqFW (floatType eosq, floatType sigesq, bool centric)
template<typename floatType, typename af_float, typename bool1D>
bool is_FrenchWilson (af_float F, af_float SIGF, bool1D is_centric, floatType eps=0.001)


Detailed Description

Common cctbx namespace.

Peter Zwart April 19, 2005.

backward compatibility 2008-11-12 (whole file)

Todo:
move grid_symop to cctbx/sgtbx
This header has been deprecated: Please include <scitbx/math/modulo.h> instead and don't forget to replace math::mod_positive or cctbx::math::mod_positive with scitbx::math::mod_positive and similarly for other functions.

Function Documentation

oc_vec3 cctbx::vector_rotate_thru ( oc_vec3 const &  vec,
oc_vec3 const &  unit,
FloatType const &  angle 
) [inline]

Rotation of a vector.

Right-hand rotation of a vector (first arg) about a laboratory unit vector (second arg) through an angle expressed in radians (third arg).

Referenced by crystal_orientation::rotate_thru().


Generated on Thu Jun 19 15:34:55 2014 for cctbx by  doxygen 1.5.6