core::scoring::electron_density_atomwise Namespace Reference

Classes
class	ElectronDensityAtomwise

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

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

Function Documentation

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

inline

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

core::Real core::scoring::electron_density_atomwise::d2r ( core::Real  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::energy_methods::ElecDensAtomwiseEnergy::ElecDensAtomwiseEnergy(), core::energy_methods::ElecDensAtomwiseEnergy::eval_atom_derivative(), core::energy_methods::ElecDensAtomwiseEnergy::residue_pair_energy(), and core::energy_methods::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

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

inline

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

inline

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

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

inline

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

static

References core::chemical::element::N.

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

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

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

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