![]() |
Rosetta
2020.50
|
Classes | |
class | DEERData |
Base class. More... | |
class | DEERDataCache |
class | DEERDecayData |
Derived class that stores DEER decay data, either raw or background-corrected. More... | |
class | DEERDistanceBounds |
Derived class for storing the data as a bounded function. Contains the upper and lower bounds, as well as steepness. If the average simulated distance falls within these bounds the score is zero If the average falls outside, it is evaluated via the steepness For example: ( ( lb - d ) / s ) ^2 OR ( ( d - ub ) / s ) ^2 lb: Lower bound ub: Upper bound d: Avg distance s: Steepness. More... | |
class | DEERDistanceDistribution |
class | DEERIO |
class | EPRSpinLabel |
struct | FittingInfo |
Struct for fitting DEER traces. Copies are stored in each DEERDecayData object. More... | |
class | Simulated4PDEERTrace |
Typedefs | |
typedef utility::pointer::shared_ptr < DEERData > | DEERDataOP |
typedef utility::pointer::shared_ptr < DEERData const > | DEERDataCOP |
typedef utility::pointer::shared_ptr < DEERDistanceBounds > | DEERDistanceBoundsOP |
typedef utility::pointer::shared_ptr < DEERDistanceBounds const > | DEERDistanceBoundsCOP |
typedef utility::pointer::shared_ptr < DEERDistanceDistribution > | DEERDistanceDistributionOP |
typedef utility::pointer::shared_ptr < DEERDistanceDistribution const > | DEERDistanceDistributionCOP |
typedef utility::pointer::shared_ptr < DEERDecayData > | DEERDecayDataOP |
typedef utility::pointer::shared_ptr < DEERDecayData const > | DEERDecayDataCOP |
typedef utility::pointer::shared_ptr < DEERDataCache > | DEERDataCacheOP |
typedef utility::pointer::shared_ptr < DEERDataCache const > | DEERDataCacheCOP |
typedef utility::pointer::shared_ptr < DEERDistanceIO > | DEERIOOP |
typedef utility::pointer::shared_ptr < DEERDistanceIO const > | DEERIOCOP |
typedef utility::pointer::shared_ptr < EPRSpinLabel > | EPRSpinLabelOP |
typedef utility::pointer::shared_ptr < EPRSpinLabel const > | EPRSpinLabelCOP |
typedef std::pair < numeric::xyzVector< Real > , Real > | PseudoElectron |
typedef utility::pointer::shared_ptr < Simulated4PDEERTrace > | Simulated4PDEERTraceOP |
typedef utility::pointer::shared_ptr < Simulated4PDEERTrace const > | Simulated4PDEERTraceCOP |
Functions | |
static basic::Tracer | TR ("core.scoring.epr_deer.DEERData") |
static basic::Tracer | TR ("core.scoring.epr_deer.DEERIO") |
static basic::Tracer | TR ("core.scoring.epr_deer.EPRSpinLabel") |
static const numeric::xyzVector< Real > | cb_coord_ (-1.3116,-0.5715, 0.5398) |
static basic::Tracer | TR ("core.scoring.epr_deer.Simulated4PDEERTrace") |
Variables | |
static const utility::vector1 < PseudoElectron > | mtssl13_ |
static const utility::vector1 < PseudoElectron > | mtssl50_unweighted_ |
static core::scoring::AtomVDWOP | atom_vdw_ = core::scoring::AtomVDWOP( nullptr ) |
static std::map< Size, utility::vector1 < PseudoElectron > > | custom_coords_ |
typedef utility::pointer::shared_ptr< DEERDataCache const > core::scoring::epr_deer::DEERDataCacheCOP |
typedef utility::pointer::shared_ptr< DEERDataCache > core::scoring::epr_deer::DEERDataCacheOP |
typedef utility::pointer::shared_ptr< DEERData const > core::scoring::epr_deer::DEERDataCOP |
typedef utility::pointer::shared_ptr< DEERData > core::scoring::epr_deer::DEERDataOP |
typedef utility::pointer::shared_ptr< DEERDecayData const > core::scoring::epr_deer::DEERDecayDataCOP |
typedef utility::pointer::shared_ptr< DEERDecayData > core::scoring::epr_deer::DEERDecayDataOP |
typedef utility::pointer::shared_ptr< DEERDistanceBounds const > core::scoring::epr_deer::DEERDistanceBoundsCOP |
typedef utility::pointer::shared_ptr< DEERDistanceBounds > core::scoring::epr_deer::DEERDistanceBoundsOP |
typedef utility::pointer::shared_ptr< DEERDistanceDistribution const > core::scoring::epr_deer::DEERDistanceDistributionCOP |
typedef utility::pointer::shared_ptr< DEERDistanceDistribution > core::scoring::epr_deer::DEERDistanceDistributionOP |
typedef utility::pointer::shared_ptr< DEERDistanceIO const > core::scoring::epr_deer::DEERIOCOP |
typedef utility::pointer::shared_ptr< DEERDistanceIO > core::scoring::epr_deer::DEERIOOP |
typedef utility::pointer::shared_ptr< EPRSpinLabel const > core::scoring::epr_deer::EPRSpinLabelCOP |
typedef utility::pointer::shared_ptr< EPRSpinLabel > core::scoring::epr_deer::EPRSpinLabelOP |
typedef std::pair< numeric::xyzVector< Real >, Real > core::scoring::epr_deer::PseudoElectron |
typedef utility::pointer::shared_ptr< Simulated4PDEERTrace const > core::scoring::epr_deer::Simulated4PDEERTraceCOP |
typedef utility::pointer::shared_ptr< Simulated4PDEERTrace > core::scoring::epr_deer::Simulated4PDEERTraceOP |
|
static |
|
static |
|
static |
|
static |
Referenced by core::scoring::epr_deer::EPRSpinLabel::histogram(), core::scoring::epr_deer::EPRSpinLabel::label(), core::scoring::epr_deer::EPRSpinLabel::normalize_distribution(), core::scoring::epr_deer::DEERIO::read_bounds_lines(), core::scoring::epr_deer::DEERIO::read_decay_lines(), core::scoring::epr_deer::DEERIO::read_desc_lines(), core::scoring::epr_deer::DEERIO::read_dist_lines(), core::scoring::epr_deer::DEERIO::read_gauss_lines(), and core::scoring::epr_deer::DEERIO::read_info_lines().
|
static |
|
static |
|
static |
|
static |
Referenced by core::scoring::epr_deer::EPRSpinLabel::label().
|
static |
Referenced by core::scoring::epr_deer::EPRSpinLabel::label().