#include <mtz2cif.hpp>

Public Member Functions
void	write_cif (const Mtz &mtz, const Mtz mtz2, SMat33< double > staraniso_b, std::ostream &os)

void	write_cif_from_xds (const XdsAscii &xds, std::ostream &os)

Static Public Member Functions
static const char **	default_spec (bool for_merged)

Public Attributes
std::vector< std::string >	spec_lines

const char *	block_name = nullptr

std::string	entry_id = "xxxx"

bool	with_comments = true

bool	with_history = true

bool	skip_empty = false

bool	skip_negative_sigi = false

bool	enable_UB = false

bool	write_staraniso_tensor = true

bool	write_special_marker_for_pdb = false

int	less_anomalous = 0

std::string	skip_empty_cols

double	wavelength = NAN

int	trim = 0

int	free_flag_value = -1

std::string	staraniso_version

std::string	gemmi_run_from

Detailed Description

Definition at line 20 of file mtz2cif.hpp.

Member Function Documentation

◆ default_spec()

static const char ** gemmi::MtzToCif::default_spec ( bool for_merged )

inlinestatic

Definition at line 41 of file mtz2cif.hpp.

◆ write_cif()

void gemmi::MtzToCif::write_cif	(	const Mtz &	mtz,
		const Mtz *	mtz2,
		SMat33< double > *	staraniso_b,
		std::ostream &	os
	)

◆ write_cif_from_xds()

void gemmi::MtzToCif::write_cif_from_xds	(	const XdsAscii &	xds,
		std::ostream &	os
	)

Member Data Documentation

◆ spec_lines

std::vector<std::string> gemmi::MtzToCif::spec_lines

Definition at line 23 of file mtz2cif.hpp.

◆ block_name

const char* gemmi::MtzToCif::block_name = nullptr

Definition at line 24 of file mtz2cif.hpp.

◆ entry_id

std::string gemmi::MtzToCif::entry_id = "xxxx"

Definition at line 25 of file mtz2cif.hpp.

◆ with_comments

bool gemmi::MtzToCif::with_comments = true

Definition at line 26 of file mtz2cif.hpp.

◆ with_history

bool gemmi::MtzToCif::with_history = true

Definition at line 27 of file mtz2cif.hpp.

◆ skip_empty

bool gemmi::MtzToCif::skip_empty = false

Definition at line 28 of file mtz2cif.hpp.

◆ skip_negative_sigi

bool gemmi::MtzToCif::skip_negative_sigi = false

Definition at line 29 of file mtz2cif.hpp.

◆ enable_UB

bool gemmi::MtzToCif::enable_UB = false

Definition at line 30 of file mtz2cif.hpp.

◆ write_staraniso_tensor

bool gemmi::MtzToCif::write_staraniso_tensor = true

Definition at line 31 of file mtz2cif.hpp.

◆ write_special_marker_for_pdb

bool gemmi::MtzToCif::write_special_marker_for_pdb = false

Definition at line 32 of file mtz2cif.hpp.

◆ less_anomalous

int gemmi::MtzToCif::less_anomalous = 0

Definition at line 33 of file mtz2cif.hpp.

◆ skip_empty_cols

std::string gemmi::MtzToCif::skip_empty_cols

Definition at line 34 of file mtz2cif.hpp.

◆ wavelength

double gemmi::MtzToCif::wavelength = NAN

Definition at line 35 of file mtz2cif.hpp.

◆ trim

int gemmi::MtzToCif::trim = 0

Definition at line 36 of file mtz2cif.hpp.

◆ free_flag_value

int gemmi::MtzToCif::free_flag_value = -1

Definition at line 37 of file mtz2cif.hpp.

◆ staraniso_version

std::string gemmi::MtzToCif::staraniso_version

Definition at line 38 of file mtz2cif.hpp.

◆ gemmi_run_from

std::string gemmi::MtzToCif::gemmi_run_from

Definition at line 39 of file mtz2cif.hpp.

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

/home/wojdyr/gemmi/gemmi/include/gemmi/mtz2cif.hpp

Public Member Functions

Static Public Member Functions

Public Attributes