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

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

Function Documentation

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

inline

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

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

inline

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

(

)

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

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

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

inline

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

inline

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

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

inline

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

static

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

Variable Documentation

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

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

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

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().

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

static