core::scoring::electron_density_atomwise Namespace Reference

Classes
class	ElecDensAtomwiseEnergy
class	ElecDensAtomwiseEnergyCreator
class	ElectronDensityAtomwise

Typedefs
typedef utility::pointer::owning_ptr < ElecDensAtomwiseEnergy >	ElecDensAtomwiseEnergyOP
typedef utility::pointer::owning_ptr < ElecDensAtomwiseEnergy const >	ElecDensAtomwiseEnergyCOP

Functions
static basic::Tracer	TR ("core.scoring.electron_density_atomwise.ElecDensAtomwiseEnergy")
static basic::Tracer	TR ("core.scoring.electron_density_atomwise.ElectronDensityAtomwise")
float	d2r (float d)
double	d2r (double d)
float	square (float x)
double	square (double x)
int	pos_mod (int x, int y)
float	pos_mod (float x, float y)
double	pos_mod (double x, double y)
static void	swap4_aligned (void *v, long ndata)
ElectronDensityAtomwise &	get_density_map ()

Variables
const core::Real	FLT_MAX = 1e37
const int	CCP4HDSIZE = 1024
const core::Real	MAX_FLT = 1e37

Typedef Documentation

typedef utility::pointer::owning_ptr< ElecDensAtomwiseEnergy const > core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergyCOP

Definition at line 27 of file ElecDensAtomwiseEnergy.fwd.hh.

typedef utility::pointer::owning_ptr< ElecDensAtomwiseEnergy > core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergyOP

Definition at line 24 of file ElecDensAtomwiseEnergy.fwd.hh.

Function Documentation

float core::scoring::electron_density_atomwise::d2r ( float  d)

inline

Definition at line 99 of file ElectronDensityAtomwise.cc.

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::computeCrystParams().

double core::scoring::electron_density_atomwise::d2r ( double  d)

inline

Definition at line 102 of file ElectronDensityAtomwise.cc.

ElectronDensityAtomwise & core::scoring::electron_density_atomwise::get_density_map

(

)

Definition at line 1166 of file ElectronDensityAtomwise.cc.

References core::scoring::electron_density_atomwise::ElectronDensityAtomwise::isMapLoaded(), and core::scoring::electron_density_atomwise::ElectronDensityAtomwise::readMRCandResize().

Referenced by core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy::ElecDensAtomwiseEnergy(), core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy::eval_atom_derivative(), core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy::residue_pair_energy(), and core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy::setup_for_scoring().

int core::scoring::electron_density_atomwise::pos_mod ( int  x, int  y  )

inline

Definition at line 113 of file ElectronDensityAtomwise.cc.

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::expandToUnitCell(), and core::scoring::electron_density_atomwise::ElectronDensityAtomwise::xyz2index_in_cell().

float core::scoring::electron_density_atomwise::pos_mod ( float  x, float  y  )

inline

Definition at line 120 of file ElectronDensityAtomwise.cc.

double core::scoring::electron_density_atomwise::pos_mod ( double  x, double  y  )

inline

Definition at line 127 of file ElectronDensityAtomwise.cc.

float core::scoring::electron_density_atomwise::square ( float  x)

inline

Definition at line 105 of file ElectronDensityAtomwise.cc.

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::computeCrystParams().

double core::scoring::electron_density_atomwise::square ( double  x)

inline

Definition at line 108 of file ElectronDensityAtomwise.cc.

static void core::scoring::electron_density_atomwise::swap4_aligned ( void *  v, long  ndata  )

static

Definition at line 137 of file ElectronDensityAtomwise.cc.

References protocols::forge::build::SegmentInsertConnectionScheme::N.

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::readMRCandResize().

static basic::Tracer core::scoring::electron_density_atomwise::TR ( "core.scoring.electron_density_atomwise.ElecDensAtomwiseEnergy"  )

static

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::compute_normalization(), core::scoring::electron_density_atomwise::ElectronDensityAtomwise::computeCrystParams(), core::scoring::electron_density_atomwise::ElectronDensityAtomwise::get_atom_weight(), core::scoring::electron_density_atomwise::ElectronDensityAtomwise::initializeSymmOps(), core::scoring::electron_density_atomwise::ElectronDensityAtomwise::readMRCandResize(), and core::scoring::electron_density_atomwise::ElectronDensityAtomwise::resize().

static basic::Tracer core::scoring::electron_density_atomwise::TR ( "core.scoring.electron_density_atomwise.ElectronDensityAtomwise"  )

static

Variable Documentation

const int core::scoring::electron_density_atomwise::CCP4HDSIZE = 1024

Definition at line 97 of file ElectronDensityAtomwise.cc.

Referenced by core::scoring::electron_density_atomwise::ElectronDensityAtomwise::readMRCandResize().

const core::Real core::scoring::electron_density_atomwise::FLT_MAX = 1e37

Definition at line 74 of file ElectronDensityAtomwise.cc.

const core::Real core::scoring::electron_density_atomwise::MAX_FLT = 1e37

Definition at line 45 of file ElectronDensityAtomwise.hh.