cctbx interface class More...
#include <clipper_cctbx.h>
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. | |
cctbx interface class
This class contains static methods which convert various objects between Clipper and cctbx formats. See http:://cctbx.sourceforge.net/
| 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.
1.6.1