IMP::saxs Namespace Reference

See IMP.saxs Overview for more information.

Classes
class	DeltaDistributionFunction
class	Distribution
class	FormFactorTable
class	Profile
class	RadialDistributionFunction
class	RadiusOfGyrationRestraint
	Calculate score based on radius of gyration, taken from saxs profile. More...
class	Restraint
	Calculate score based on fit to SAXS profile. More...
class	SolventAccessibleSurface

Enumerations
enum	FormFactorType { ALL_ATOMS, HEAVY_ATOMS, CA_ATOMS }
	type of the form factors for profile calculations

Functions
Float	compute_max_distance (const Particles &particles)
	compute max distance
Float	compute_max_distance (const Particles &particles1, const Particles &particles2)
FormFactorTable *	default_form_factor_table ()
void	get_coordinates (const Particles &particles, std::vector< algebra::Vector3D > &coordinates)
std::string	get_data_path (std::string file_name)
	Return the full path to installed data. More...
std::string	get_example_path (std::string file_name)
	Return the path to installed example data for this module. More...
void	get_form_factors (const Particles &particles, FormFactorTable *ff_table, Floats &form_factors, FormFactorType ff_type)
Float	radius_of_gyration (const Particles &particles)
	compute radius_of_gyration

Standard module methods
All IMP modules have a set of standard methods to help get information about the module and about files associated with the module.
std::string	get_module_version ()
std::string	get_module_name ()

Function Documentation

Float IMP::saxs::compute_max_distance	(	const Particles &	particles1,
		const Particles &	particles2
	)

compute max distance between pairs of particles one from particles1 and the other from particles2

Definition at line 53 of file saxs/utility.h.

Here is the call graph for this function:

std::string IMP::saxs::get_data_path

(

std::string

file_name

)

Each module has its own data directory, so be sure to use the version of this function in the correct module. To read the data file "data_library" that was placed in the data directory of module "mymodule", do something like

std::ifstream in(IMP::mymodule::get_data_path("data_library"));

This will ensure that the code works when IMP is installed or used via the tools/imppy.sh script.

std::string IMP::saxs::get_example_path

(

std::string

file_name

)

Each module has its own example directory, so be sure to use the version of this function in the correct module. For example to read the file example_protein.pdb located in the examples directory of the IMP::atom module, do

IMP::atom::read_pdb(IMP::atom::get_example_path("example_protein.pdb", model));

This will ensure that the code works when IMP is installed or used via the tools/imppy.sh script.