bscatter.cpp File Reference

Program to calculate scattering cross sections. More...

#include "molecule_to_map.h"
#include "mol_util.h"
#include "seq_util.h"
#include "rwmodel_param.h"
#include "rwresprop.h"
#include "ctf.h"
#include "scatter.h"
#include "json.h"
#include "file_util.h"
#include "options.h"
#include "utilities.h"
#include "timer.h"
#include "use_ctf.inc"
#include "ctf.inc"

Macros
#define	MAXSCAT   1000

Functions
Bmaterial	protein_material_default ()
	Default protein composition adjusted by mass. More...
Bmaterial	material_from_molgroup (Bmolgroup *molgroup)
int	cross_sections (vector< string > &elements, map< string, Bcomptype > &atompar, CTFparam &ctf)
int	cross_sections (Bmaterial &material, CTFparam &ctf)
int	cross_section_half_maximal_frequencies (vector< string > &elements, map< string, Bcomptype > &atompar)
int	cross_section_half_maximal_frequencies (Bmaterial &material)
int	aperture_series (double thickness, Bmaterial &material, CTFparam &ctf, vector< double > apser)
int	collection_angle_series (double thickness, Bmaterial &material, CTFparam &ctf, vector< double > angser)
double	particle_snr (Bmaterial &material, double mass, double radius, double thickness, CTFparam &ctf)
Bplot *	particle_spectral_signal (Bmaterial &material, double mass, double radius, double thickness, CTFparam &ctf)
int	main (int argc, char **argv)
double	elastic_cross_section_lenz (long Z, double volts)
double	elastic_cross_section_langmore (long Z, double volts)

Variables
int	verbose
const char *	use []

Detailed Description

Program to calculate scattering cross sections.

Author

Bernard Heymann

Date

Created: 20190521

Modified: 20210311

Macro Definition Documentation

MAXSCAT

#define MAXSCAT   1000

Function Documentation

aperture_series()

int aperture_series	(	double	thickness,
		Bmaterial &	material,
		CTFparam &	ctf,
		vector< double >	apser
	)

collection_angle_series()

int collection_angle_series	(	double	thickness,
		Bmaterial &	material,
		CTFparam &	ctf,
		vector< double >	angser
	)

cross_section_half_maximal_frequencies() [1/2]

int cross_section_half_maximal_frequencies

(

Bmaterial &

material

)

cross_section_half_maximal_frequencies() [2/2]

int cross_section_half_maximal_frequencies	(	vector< string > &	elements,
		map< string, Bcomptype > &	atompar
	)

cross_sections() [1/2]

int cross_sections	(	Bmaterial &	material,
		CTFparam &	ctf
	)

cross_sections() [2/2]

int cross_sections	(	vector< string > &	elements,
		map< string, Bcomptype > &	atompar,
		CTFparam &	ctf
	)

elastic_cross_section_langmore()

double elastic_cross_section_langmore	(	long	Z,
		double	volts
	)

elastic_cross_section_lenz()

double elastic_cross_section_lenz	(	long	Z,
		double	volts
	)

main()

int main	(	int	argc,
		char **	argv
	)

material_from_molgroup()

Bmaterial material_from_molgroup

(

Bmolgroup *

molgroup

)

particle_snr()

double particle_snr	(	Bmaterial &	material,
		double	mass,
		double	radius,
		double	thickness,
		CTFparam &	ctf
	)

particle_spectral_signal()

Bplot * particle_spectral_signal	(	Bmaterial &	material,
		double	mass,
		double	radius,
		double	thickness,
		CTFparam &	ctf
	)

protein_material_default()

Bmaterial protein_material_default

(

)

Default protein composition adjusted by mass.

Returns

Bmaterial material.

Variable Documentation

use

const char* use[]

verbose

int verbose

extern