cctbx::miller Namespace Reference

Miller index namespace. More...

Classes
class	index_table_layout_adaptor
	Support for common layouts of tables of asymmetric Miller indices. More...
class	asym_index
	Selection of an asymmetric Miller index. More...
struct	map_to_asu_policy< data_classes::scalar_type >
struct	map_to_asu_policy< data_classes::complex_type >
struct	map_to_asu_policy< data_classes::hendrickson_lattman_type >
struct	map_to_asu_policy< data_classes::phase_type >
struct	map_to_asu_policy< double >
struct	map_to_asu_policy< std::complex< double > >
struct	map_to_asu_policy< hendrickson_lattman<> >
class	binning
class	binner
struct	change_basis_phase_policy
struct	change_basis_complex_policy
struct	change_basis_hendrickson_lattman_policy
struct	change_basis
struct	expand_to_p1_scalar
	Expands an array of Miller indices and associated scalar data (e.g. bool, int, double) to P1 symmetry. More...
struct	expand_to_p1_complex
	Expands an array of Miller indices and associated complex data to P1 symmetry. More...
struct	expand_to_p1_hendrickson_lattman
	Expands an array of Miller indices and associated Hendrickson-Lattman coefficients to P1 symmetry. More...
struct	expand_to_p1_obs
	Expands an array of Miller indices and associated observations (data, sigmas) to P1 symmetry. More...
struct	expand_to_p1_phases
	Expands an array of Miller indices and associated phases to P1 symmetry. More...
class	index_generator
	Efficient, easy-to-use algorithm for building an asymmetric unit of Miller indices up to a given high-resolution limit or up to a given maximum Miller index. More...
class	index_span
	Determines min(indices[i]) and max(indices[i])+1, i=1..3, for an array of Miller indices. More...
class	match_bijvoet_mates
class	match_indices
struct	merge_equivalents_impl
struct	merge_equivalents_generic
struct	merge_equivalents_exact
struct	merge_equivalents_real
class	merge_equivalents_obs
struct	normalised_array
class	phase_integrator
class	phase_entropy
class	sym_equiv_index
	Class for symmetrically equivalent Miller indices. More...
class	sym_equiv_indices
	class for the handling of symmetrically equivalent Miller indices. More...
class	index
	Miller index class. More...
class	fast_less_than
	Definition of fast comparison for use in, e.g., std::map<miller::index<> >. More...
Typedefs
typedef af::tiny< std::size_t, 2 >	pair_type
Functions
void	map_to_asu (sgtbx::space_group_type const &sg_type, bool anomalous_flag, af::ref< index<> > const &miller_indices)
template<typename ValueType>
void	map_to_asu (sgtbx::space_group_type const &sg_type, bool anomalous_flag, af::ref< index<> > const &miller_indices, af::ref< ValueType > const &data)
template<typename ValueType>
void	map_to_asu (sgtbx::space_group_type const &sg_type, bool anomalous_flag, af::ref< index<> > const &miller_indices, af::ref< ValueType > const &data, bool deg)
bool	is_unique_set_under_symmetry (sgtbx::space_group_type const &space_group_type, bool anomalous_flag, af::const_ref< index<> > const &miller_indices)
af::shared< std::size_t >	unique_under_symmetry_selection (sgtbx::space_group_type const &space_group_type, bool anomalous_flag, af::const_ref< index<> > const &miller_indices)
template<typename FloatType>
FloatType	sphere_volume (FloatType const &radius)
af::shared< index<> >	expand_to_p1_indices (sgtbx::space_group const &space_group, bool anomalous_flag, af::const_ref< index<> > const &indices)
	Expands an array of Miller indices to P1 symmetry.
template<typename FloatType>
FloatType	statistical_mean (sgtbx::space_group const &space_group, bool anomalous_flag, af::const_ref< index<> > const &miller_indices, af::const_ref< FloatType > const &data)
template<typename FloatType>
af::shared< std::complex < FloatType > >	phase_transfer (sgtbx::space_group const &space_group, af::const_ref< index<> > const &miller_indices, af::const_ref< FloatType > const &amplitude_source, af::const_ref< std::complex< FloatType > > const &phase_source, FloatType const &epsilon=1.e-10)
	Transfer the phase of phase_source[i] onto amplitude_source[i].
template<typename FloatType>
af::shared< std::complex < FloatType > >	phase_transfer (sgtbx::space_group const &space_group, af::const_ref< index<> > const &miller_indices, af::const_ref< FloatType > const &amplitude_source, af::const_ref< FloatType > const &phase_source, bool deg=false)
	Another overload of phase_transfer passing the source phases directly.

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Detailed Description

Miller index namespace.

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Function Documentation

af::shared<index<> > cctbx::miller::expand_to_p1_indices	(	sgtbx::space_group const &	space_group,
		bool	anomalous_flag,
		af::const_ref< index<> > const &	indices
	)			[inline]

Expands an array of Miller indices to P1 symmetry.

The symmetry operations are applied to each element of the input array.

If anomalous_flag == false, centric indices are treated in a special way: Friedel mates are suppressed. If N is the number of unique symmetrically equivalent indices for a given centric index, only N/2 indices will be generated.

See also: sym_equiv_indices

af::shared<std::complex<FloatType> > cctbx::miller::phase_transfer	(	sgtbx::space_group const &	space_group,
		af::const_ref< index<> > const &	miller_indices,
		af::const_ref< FloatType > const &	amplitude_source,
		af::const_ref< std::complex< FloatType > > const &	phase_source,
		FloatType const &	epsilon = 1.e-10
	)			[inline]

Transfer the phase of phase_source[i] onto amplitude_source[i].

The sign of phase_source[i] is kept.

The phase is actually the nearest phase compatible with space-group restriction for centric reflections.

References CCTBX_ASSERT, and space_group::phase_restriction().

FloatType cctbx::miller::statistical_mean	(	sgtbx::space_group const &	space_group,
		bool	anomalous_flag,
		af::const_ref< index<> > const &	miller_indices,
		af::const_ref< FloatType > const &	data
	)			[inline]

sum((w/epsilon)*data) / sum(w) anomalous_flag = true: w = 1 anomalous_flag = false: w = 1 for centric reflections w = 2 for acentric reflections

See also: sgtbx::space_group::epsilon()

References space_group::epsilon(), and space_group::is_centric().