clipper::CCTBX

clipper::CCTBX Class Reference

cctbx interface class More...

#include <clipper_cctbx.h>

List of all members.

Static Public Member Functions

static cctbx::miller::index Hkl (const HKL &hkl)

Convert Clipper HKL to cctbx Miller index.

static HKL Hkl (const cctbx::miller::index<> &hkl)

Convert cctbx Miller index to Clipper HKL.

static const cctbx::miller::index & hkl (const HKL &hkl)

Convert Clipper HKL to cctbx Miller index.

static const HKL & hkl (const cctbx::miller::index<> &hkl)

Convert cctbx Miller index to Clipper HKL.

static cctbx::uctbx::unit_cell cell (const Cell &cell)

Convert Clipper cell to cctbx cell.

static Cell cell (const cctbx::uctbx::unit_cell &cell)

Convert cctbx cell to Clipper cell.

static cctbx::sgtbx::space_group spacegroup (const Spacegroup &spgr)

Convert Clipper spacegroup to cctbx spacegroup.

static Spacegroup spacegroup (const cctbx::sgtbx::space_group &spgr)

Convert cctbx spacegroup to Clipper spacegroup.

static HKL_info as_HKL_info (cctbx::uctbx::unit_cell const &unit_cell, cctbx::sgtbx::space_group const &space_group, double d_min, double tolerance=1.e-8)

Conversion of cctbx unit cell and space group.

static HKL_info as_HKL_info (cctbx::uctbx::unit_cell const &unit_cell, cctbx::sgtbx::space_group const &space_group, af::const_ref< cctbx::miller::index<> > const &miller_indices, double tolerance=1.e-8)

Conversion of cctbx unit cell and space group.

static HKL_data< data64::F_sigF > as_HKL_data (HKL_info &hkl_info, af::const_ref< cctbx::miller::index<> > const &miller_indices, af::const_ref< double > const &data, af::const_ref< double > const &sigmas)

Conversion of F, sigF.

static HKL_data< data64::F_phi > as_HKL_data (HKL_info &hkl_info, af::const_ref< cctbx::miller::index<> > const &miller_indices, af::const_ref< std::complex< double > > const &data)

Conversion of complex structure factors.

static af::shared
< std::complex< double > > extract_complex (HKL_data< data64::F_phi > const &hkl_data, af::const_ref< cctbx::miller::index<> > const &miller_indices)

Conversion of complex structure factors.

static HKL_data< data64::ABCD > as_HKL_data (HKL_info &hkl_info, af::const_ref< cctbx::miller::index<> > const &miller_indices, af::const_ref< cctbx::hendrickson_lattman<> > const &data)

Conversion of Hendrickson-Lattman coefficients.

static af::shared
< cctbx::hendrickson_lattman<> > extract_hendrickson_lattman (HKL_data< data64::ABCD > const &hkl_data, af::const_ref< cctbx::miller::index<> > const &miller_indices)

Conversion of Hendrickson-Lattman coefficients.

static af::shared< double > extract_centroid_phases (HKL_data< data64::Phi_fom > const &hkl_data, af::const_ref< cctbx::miller::index<> > const &miller_indices)

Conversion of centroid phases.

static af::shared< double > extract_figures_of_merit (HKL_data< data64::Phi_fom > const &hkl_data, af::const_ref< cctbx::miller::index<> > const &miller_indices)

Conversion of figures of merit.

Detailed Description

cctbx interface class

This class contains static methods which convert various objects between Clipper and cctbx formats. See http:://cctbx.sourceforge.net/

Member Function Documentation

static const cctbx::miller::index& clipper::CCTBX::hkl ( const HKL & hkl ) [inline, static]

Convert Clipper HKL to cctbx Miller index.

This verision is inlined and uses a reinterpret cast, and so is very fast, but depends on the binary representations used in the two packages remaining compatible.

static const HKL& clipper::CCTBX::hkl ( const cctbx::miller::index<> & hkl ) [inline, static]

Convert cctbx Miller index to Clipper HKL.

This verision is inlined and uses a reinterpret cast, and so is very fast, but depends on the binary representations used in the two packages remaining compatible.

The documentation for this class was generated from the following files:

clipper_cctbx.h
clipper_cctbx.cpp

Generated on 4 Jan 2010 for Clipper_cctbx by doxygen 1.6.1