NodePairRmsdCalculator.cc File Reference

#include <basic/database/sql_utils.hh>
#include <basic/Tracer.hh>
#include <utility/sql_database/DatabaseSessionManager.hh>
#include <devel/init.hh>
#include <core/types.hh>
#include <numeric/xyzVector.hh>
#include <numeric/model_quality/rms.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <iostream>
#include <map>

Classes
struct	node_data

Typedefs
typedef std::map< core::Size, utility::vector1< numeric::xyzVector< core::Real > > >	ElementCoords

Functions
utility::vector1< node_data >	get_nodes (utility::sql_database::sessionOP db_session)
std::map< core::Size, utility::vector1< core::Size > >	get_substructure_map (utility::sql_database::sessionOP db_session)
ElementCoords	get_element_coords (utility::sql_database::sessionOP db_session)
std::pair< core::Real, core::Real >	calc_rmsd_and_clash_score (node_data const &node_1, node_data const &node_2, ElementCoords &element_coords, std::map< core::Size, utility::vector1< core::Size > > &substructure_map)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("NodePairRmsdCalculator")

Typedef Documentation

ElementCoords

typedef std::map< core::Size, utility::vector1<numeric::xyzVector<core::Real> > > ElementCoords

Function Documentation

calc_rmsd_and_clash_score()

std::pair<core::Real, core::Real> calc_rmsd_and_clash_score	(	node_data const &	node_1,
		node_data const &	node_2,
		ElementCoords &	element_coords,
		std::map< core::Size, utility::vector1< core::Size > > &	substructure_map
	)

References node_data::comparison_element_1, node_data::comparison_element_2, numeric::model_quality::findUU(), create_a3b_hbs::i, create_a3b_hbs::ii, create_a3b_hbs::j, create_a3b_hbs::k, min(), ObjexxFCL::pow(), and node_data::substructure_id.

Referenced by main().

get_element_coords()

ElementCoords get_element_coords

(

utility::sql_database::sessionOP

db_session

)

References basic::database::safely_prepare_statement(), basic::database::safely_read_from_database(), TR, x, predPRE::y, and predPRE::z.

Referenced by main().

get_nodes()

utility::vector1<node_data> get_nodes

(

utility::sql_database::sessionOP

db_session

)

References utility::io::oc::cerr, create_a3b_hbs::ii, basic::database::safely_prepare_statement(), basic::database::safely_read_from_database(), TR, and utility_exit_with_message.

Referenced by main().

get_substructure_map()

std::map< core::Size, utility::vector1<core::Size> > get_substructure_map

(

utility::sql_database::sessionOP

db_session

)

References basic::database::safely_prepare_statement(), and basic::database::safely_read_from_database().

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, calc_rmsd_and_clash_score(), basic::database::get_db_session(), get_element_coords(), get_nodes(), get_substructure_map(), create_a3b_hbs::i, basic::init(), create_a3b_hbs::j, basic::database::safely_prepare_statement(), and basic::database::safely_write_to_database().

Variable Documentation

TR

basic::Tracer TR("NodePairRmsdCalculator") ( "NodePairRmsdCalculator"  )

static

Author

Tim Jacobs

Referenced by get_element_coords(), and get_nodes().