gemmi::XdsAscii Struct Reference

#include <xds_ascii.hpp>

Inheritance diagram for gemmi::XdsAscii:

Classes
struct	Refl

Public Member Functions
	XdsAscii ()=default
	XdsAscii (const XdsAsciiMetadata &m)
Iset &	find_or_add_iset (int id)
void	read_stream (AnyStream &reader, const std::string &source)
template<typename T >
void	read_input (T &&input)
bool	is_merged () const
void	gather_iset_statistics ()
double	rot_angle (const Refl &refl) const
Vec3	get_rotation_axis () const
Vec3	get_s0_direction () const
bool	has_cell_axes () const
Mat33	calculate_conversion_from_cambridge () const
	Return transition matrix from "Cambridge" frame to XDS frame.
Mat33	get_orientation () const
void	apply_polarization_correction (double p, Vec3 normal)
void	eliminate_overloads (double overload)
void	eliminate_batchmin (int batchmin)

Public Attributes
std::vector< Refl >	data
Public Attributes inherited from gemmi::XdsAsciiMetadata
std::string	source_path
int	read_columns = 0
int	spacegroup_number = 0
double	wavelength = 0.
std::array< double, 6 >	cell_constants = {0., 0., 0., 0., 0., 0.}
Mat33	cell_axes {0.}
Vec3	incident_beam_dir
double	oscillation_range = 0.
Vec3	rotation_axis
double	starting_angle = 0.
double	reflecting_range_esd = 0.
char	friedels_law = '\0'
int	starting_frame = 1
int	nx = 0
int	ny = 0
double	qx = 0.
double	qy = 0.
double	orgx = 0.
double	orgy = 0.
double	detector_distance = 0.
std::string	generated_by
std::string	version_str
std::vector< Iset >	isets

Detailed Description

Definition at line 62 of file xds_ascii.hpp.

Constructor & Destructor Documentation

XdsAscii() [1/2]

gemmi::XdsAscii::XdsAscii ( )

default

XdsAscii() [2/2]

gemmi::XdsAscii::XdsAscii ( const XdsAsciiMetadata &  m )

inline

Definition at line 82 of file xds_ascii.hpp.

Member Function Documentation

find_or_add_iset()

Iset & gemmi::XdsAscii::find_or_add_iset ( int  id )

inline

Definition at line 84 of file xds_ascii.hpp.

read_stream()

void gemmi::XdsAscii::read_stream	(	AnyStream &	reader,
		const std::string &	source
	)

read_input()

template<typename T >

void gemmi::XdsAscii::read_input ( T &&  input )

inline

Definition at line 94 of file xds_ascii.hpp.

is_merged()

bool gemmi::XdsAscii::is_merged ( ) const

inline

Definition at line 98 of file xds_ascii.hpp.

gather_iset_statistics()

void gemmi::XdsAscii::gather_iset_statistics

(

)

rot_angle()

double gemmi::XdsAscii::rot_angle ( const Refl &  refl ) const

inline

Definition at line 103 of file xds_ascii.hpp.

get_rotation_axis()

Vec3 gemmi::XdsAscii::get_rotation_axis ( ) const

inline

Definition at line 109 of file xds_ascii.hpp.

get_s0_direction()

Vec3 gemmi::XdsAscii::get_s0_direction ( ) const

inline

Definition at line 117 of file xds_ascii.hpp.

has_cell_axes()

bool gemmi::XdsAscii::has_cell_axes ( ) const

inline

Definition at line 124 of file xds_ascii.hpp.

calculate_conversion_from_cambridge()

Mat33 gemmi::XdsAscii::calculate_conversion_from_cambridge ( ) const

inline

Return transition matrix from "Cambridge" frame to XDS frame.

x_xds = M x_cam

Definition at line 133 of file xds_ascii.hpp.

get_orientation()

Mat33 gemmi::XdsAscii::get_orientation ( ) const

inline

Definition at line 144 of file xds_ascii.hpp.

apply_polarization_correction()

void gemmi::XdsAscii::apply_polarization_correction	(	double	p,
		Vec3	normal
	)

p is degree of polarization from range (0,1), as used in XDS.

eliminate_overloads()

void gemmi::XdsAscii::eliminate_overloads ( double  overload )

inline

overload is maximally allowed pixel value in a peak (MAXC).

Definition at line 161 of file xds_ascii.hpp.

eliminate_batchmin()

void gemmi::XdsAscii::eliminate_batchmin ( int  batchmin )

inline

batchmin lowest allowed batch number.

Definition at line 166 of file xds_ascii.hpp.

Member Data Documentation

data

std::vector<Refl> gemmi::XdsAscii::data

Definition at line 79 of file xds_ascii.hpp.

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The documentation for this struct was generated from the following file:

• include/gemmi/xds_ascii.hpp