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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::FACTSRsdTypeInfo Class Reference

#include <FACTSResidue.hh>

Inheritance diagram for core::scoring::FACTSRsdTypeInfo:
Inheritance graph
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Public Member Functions

void create_info (chemical::ResidueType const &rsd)
 
Size natoms () const
 
Real q (Size const atm) const
 
Real a0 (Size const atm) const
 
Real a1 (Size const atm) const
 
Real a2 (Size const atm) const
 
Real a3 (Size const atm) const
 
Real b1 (Size const atm) const
 
Real b2 (Size const atm) const
 
Real c0 (Size const atm) const
 
Real c1 (Size const atm) const
 
Real c2 (Size const atm) const
 
Real c3 (Size const atm) const
 
Real d1 (Size const atm) const
 
Real d2 (Size const atm) const
 
Real alpha (Size const atm) const
 
Real COradius2 (Size const atm) const
 
Real volume (Size const atm) const
 
bool not_using (Size const atm) const
 
bool charged (Size const atm) const
 
bool is_chargedH (Size const atm1) const
 
bool is_freedof (Size const atm1) const
 
Real intra_solv_scale (Size const atm1, Size const atm2) const
 
Real intra_elec_scale (Size const atm1, Size const atm2) const
 

Private Member Functions

void initialize_parameters (chemical::ResidueType const &rsd)
 
void initialize_intrascale (chemical::ResidueType const &rsd)
 

Private Attributes

Size natoms_
 
utility::vector1< boolnot_using_
 
utility::vector1< Realq_
 
utility::vector1< RealCOradius2_
 
utility::vector1< Realvolume_
 
utility::vector1< Realalpha_
 
utility::vector1< Realb1_
 
utility::vector1< Realb2_
 
utility::vector1< Reala0_
 
utility::vector1< Reala1_
 
utility::vector1< Reala2_
 
utility::vector1< Reala3_
 
utility::vector1< Reald1_
 
utility::vector1< Reald2_
 
utility::vector1< Realc0_
 
utility::vector1< Realc1_
 
utility::vector1< Realc2_
 
utility::vector1< Realc3_
 
utility::vector1
< utility::vector1< Real > > 
intra_solv_scale_
 
utility::vector1
< utility::vector1< Real > > 
intra_elec_scale_
 
utility::vector1< boolis_chargedH_
 
utility::vector1< boolcharged_
 
utility::vector1< boolis_freedof_
 

Member Function Documentation

Real core::scoring::FACTSRsdTypeInfo::a0 ( Size const  atm) const
inline

References a0_.

Real core::scoring::FACTSRsdTypeInfo::a1 ( Size const  atm) const
inline

References a1_.

Real core::scoring::FACTSRsdTypeInfo::a2 ( Size const  atm) const
inline

References a2_.

Real core::scoring::FACTSRsdTypeInfo::a3 ( Size const  atm) const
inline

References a3_.

Real core::scoring::FACTSRsdTypeInfo::alpha ( Size const  atm) const
inline

References alpha_.

Real core::scoring::FACTSRsdTypeInfo::b1 ( Size const  atm) const
inline

References b1_.

Real core::scoring::FACTSRsdTypeInfo::b2 ( Size const  atm) const
inline

References b2_.

Real core::scoring::FACTSRsdTypeInfo::c0 ( Size const  atm) const
inline

References c0_.

Real core::scoring::FACTSRsdTypeInfo::c1 ( Size const  atm) const
inline

References c1_.

Real core::scoring::FACTSRsdTypeInfo::c2 ( Size const  atm) const
inline

References c2_.

Real core::scoring::FACTSRsdTypeInfo::c3 ( Size const  atm) const
inline

References c3_.

bool core::scoring::FACTSRsdTypeInfo::charged ( Size const  atm) const
inline

References charged_.

Real core::scoring::FACTSRsdTypeInfo::COradius2 ( Size const  atm) const
inline

References COradius2_.

void core::scoring::FACTSRsdTypeInfo::create_info ( chemical::ResidueType const &  rsd)
Real core::scoring::FACTSRsdTypeInfo::d1 ( Size const  atm) const
inline

References d1_.

Real core::scoring::FACTSRsdTypeInfo::d2 ( Size const  atm) const
inline

References d2_.

void core::scoring::FACTSRsdTypeInfo::initialize_intrascale ( chemical::ResidueType const &  rsd)
private
void core::scoring::FACTSRsdTypeInfo::initialize_parameters ( chemical::ResidueType const &  rsd)
private
Real core::scoring::FACTSRsdTypeInfo::intra_elec_scale ( Size const  atm1,
Size const  atm2 
) const
inline

References intra_elec_scale_.

Real core::scoring::FACTSRsdTypeInfo::intra_solv_scale ( Size const  atm1,
Size const  atm2 
) const
inline

References intra_solv_scale_.

bool core::scoring::FACTSRsdTypeInfo::is_chargedH ( Size const  atm1) const
inline

References is_chargedH_.

bool core::scoring::FACTSRsdTypeInfo::is_freedof ( Size const  atm1) const
inline

References is_freedof_.

Size core::scoring::FACTSRsdTypeInfo::natoms ( ) const
inline

References natoms_.

bool core::scoring::FACTSRsdTypeInfo::not_using ( Size const  atm) const
inline

References not_using_.

Real core::scoring::FACTSRsdTypeInfo::q ( Size const  atm) const
inline

References q_.

Real core::scoring::FACTSRsdTypeInfo::volume ( Size const  atm) const
inline

References volume_.

Member Data Documentation

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::a0_
private

Referenced by a0().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::a1_
private

Referenced by a1().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::a2_
private

Referenced by a2().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::a3_
private

Referenced by a3().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::alpha_
private

Referenced by alpha().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::b1_
private

Referenced by b1().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::b2_
private

Referenced by b2().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::c0_
private

Referenced by c0().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::c1_
private

Referenced by c1().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::c2_
private

Referenced by c2().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::c3_
private

Referenced by c3().

utility::vector1< bool > core::scoring::FACTSRsdTypeInfo::charged_
private

Referenced by charged().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::COradius2_
private

Referenced by COradius2().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::d1_
private

Referenced by d1().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::d2_
private

Referenced by d2().

utility::vector1< utility::vector1<Real> > core::scoring::FACTSRsdTypeInfo::intra_elec_scale_
private

Referenced by intra_elec_scale().

utility::vector1< utility::vector1<Real> > core::scoring::FACTSRsdTypeInfo::intra_solv_scale_
private

Referenced by intra_solv_scale().

utility::vector1< bool > core::scoring::FACTSRsdTypeInfo::is_chargedH_
private

Referenced by is_chargedH().

utility::vector1< bool > core::scoring::FACTSRsdTypeInfo::is_freedof_
private

Referenced by is_freedof().

Size core::scoring::FACTSRsdTypeInfo::natoms_
private

Referenced by natoms().

utility::vector1<bool> core::scoring::FACTSRsdTypeInfo::not_using_
private

Referenced by not_using().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::q_
private

Referenced by q().

utility::vector1<Real> core::scoring::FACTSRsdTypeInfo::volume_
private

Referenced by volume().


The documentation for this class was generated from the following files: