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Public Member Functions | Static Public Attributes | Private Attributes | List of all members
core::pack::dunbrack::RotamerLibraryScratchSpace Class Reference

#include <RotamerLibraryScratchSpace.hh>

Inheritance diagram for core::pack::dunbrack::RotamerLibraryScratchSpace:
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Collaboration diagram for core::pack::dunbrack::RotamerLibraryScratchSpace:
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Public Member Functions

 RotamerLibraryScratchSpace ()
 
virtual ~RotamerLibraryScratchSpace ()
 
Real rotprob () const
 
Real negln_rotprob () const
 
Size4 const & rotwell () const
 
Real4 const & chimean () const
 
Real4 const & chisd () const
 
Real4 const & chidev () const
 
Real4 const & chidevpen () const
 
Real3 const & drotprob_dbb () const
 
Real3 const & dneglnrotprob_dbb () const
 
Real4 const & dchimean_dphi () const
 
Real4 const & dchimean_dpsi () const
 
Real4 const & dchisd_dphi () const
 
Real4 const & dchisd_dpsi () const
 
Real3 const & dchidevpen_dbb () const
 
Real4 const & dchidevpen_dchi () const
 
Real3 const & dE_dbb () const
 
Real3 const & dE_dbb_dev () const
 
Real3 const & dE_dbb_semi () const
 
Real4 const & dE_dchi () const
 
Real4 const & dE_dchi_dev () const
 
Real4 const & dE_dchi_semi () const
 
Real4 const & dE_dphi_dev () const
 
Real4 const & dE_dpsi_dev () const
 
Real fa_dun_tot () const
 
Real fa_dun_rot () const
 
Real fa_dun_semi () const
 
Real fa_dun_dev () const
 
Realrotprob ()
 
Realnegln_rotprob ()
 
Size4rotwell ()
 
Real4chimean ()
 
Real4chisd ()
 
Real4chidev ()
 
Real4chidevpen ()
 
Real3drotprob_dbb ()
 
Real3dneglnrotprob_dbb ()
 
Real4dchimean_dphi ()
 
Real4dchimean_dpsi ()
 
Real4dchisd_dphi ()
 
Real4dchisd_dpsi ()
 
Real3dchidevpen_dbb ()
 
Real4dchidevpen_dchi ()
 
Real3dE_dbb ()
 
Real3dE_dbb_dev ()
 
Real3dE_dbb_rot ()
 
Real3dE_dbb_semi ()
 
Real4dE_dchi ()
 
Real4dE_dchi_dev ()
 
Real4dE_dchi_semi ()
 
Real4dE_dphi_dev ()
 
Real4dE_dpsi_dev ()
 
Realfa_dun_tot ()
 
Realfa_dun_rot ()
 
Realfa_dun_semi ()
 
Realfa_dun_dev ()
 

Static Public Attributes

static Size const AA_PHI_INDEX = 1
 
static Size const AA_PSI_INDEX = 2
 

Private Attributes

Real rotprob_
 
Real negln_rotprob_
 
Size4 rotwell_
 
Real4 chimean_
 
Real4 chisd_
 
Real4 chidev_
 
Real4 chidevpen_
 
Real3 drotprob_dbb_
 
Real3 dneglnrotprob_dbb_
 
Real4 dchimean_dphi_
 
Real4 dchimean_dpsi_
 
Real4 dchisd_dphi_
 
Real4 dchisd_dpsi_
 
Real3 dchidevpen_dbb_
 
Real4 dchidevpen_dchi_
 
Real3 dE_dbb_
 
Real3 dE_dbb_dev_
 
Real3 dE_dbb_rot_
 
Real3 dE_dbb_semi_
 
Real4 dE_dchi_
 
Real4 dE_dchi_dev_
 
Real4 dE_dchi_semi_
 
Real4 dE_dphi_dev_
 
Real4 dE_dpsi_dev_
 
Real fa_dun_tot_
 
Real fa_dun_rot_
 
Real fa_dun_semi_
 
Real fa_dun_dev_
 

Constructor & Destructor Documentation

core::pack::dunbrack::RotamerLibraryScratchSpace::RotamerLibraryScratchSpace ( )

All the fixedsizearrays are allocated and initialized to 0

core::pack::dunbrack::RotamerLibraryScratchSpace::~RotamerLibraryScratchSpace ( )
virtual

Member Function Documentation

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chidev ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chidev ( )
inline

References chidev_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen ( )
inline

References chidevpen_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chimean ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chimean ( )
inline

References chimean_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chisd ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chisd ( )
inline

References chisd_.

Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb ( )
inline

References dchidevpen_dbb_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi ( )
inline

References dchidevpen_dchi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dphi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dphi ( )
inline

References dchimean_dphi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dpsi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dpsi ( )
inline

References dchimean_dpsi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dphi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dphi ( )
inline

References dchisd_dphi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dpsi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dpsi ( )
inline

References dchisd_dpsi_.

Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb ( )
inline

References dE_dbb_.

Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev ( )
inline

References dE_dbb_dev_.

Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_rot ( )
inline
Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi ( )
inline

References dE_dbb_semi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi ( )
inline

References dE_dchi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev ( )
inline

References dE_dchi_dev_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi ( )
inline

References dE_dchi_semi_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dphi_dev ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dphi_dev ( )
inline

References dE_dphi_dev_.

Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dpsi_dev ( ) const
inline
Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dpsi_dev ( )
inline

References dE_dpsi_dev_.

Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb ( )
inline

References dneglnrotprob_dbb_.

Real3 const& core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb ( ) const
inline
Real3& core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb ( )
inline

References drotprob_dbb_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev ( )
inline

References fa_dun_dev_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot ( )
inline

References fa_dun_rot_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi ( )
inline

References fa_dun_semi_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot ( )
inline

References fa_dun_tot_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob ( )
inline

References negln_rotprob_.

Real core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob ( ) const
inline
Real& core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob ( )
inline

References rotprob_.

Size4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell ( ) const
inline
Size4& core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell ( )
inline

References rotwell_.

Member Data Documentation

Size const core::pack::dunbrack::RotamerLibraryScratchSpace::AA_PHI_INDEX = 1
static
Size const core::pack::dunbrack::RotamerLibraryScratchSpace::AA_PSI_INDEX = 2
static
Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chidev_
private

Referenced by chidev().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen_
private

Referenced by chidevpen().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chimean_
private

Referenced by chimean().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chisd_
private

Referenced by chisd().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb_
private

Referenced by dchidevpen_dbb().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi_
private

Referenced by dchidevpen_dchi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dphi_
private

Referenced by dchimean_dphi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dpsi_
private

Referenced by dchimean_dpsi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dphi_
private

Referenced by dchisd_dphi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dpsi_
private

Referenced by dchisd_dpsi().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_
private

Referenced by dE_dbb().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev_
private

Referenced by dE_dbb_dev().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_rot_
private

Referenced by dE_dbb_rot().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi_
private

Referenced by dE_dbb_semi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_
private

Referenced by dE_dchi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev_
private

Referenced by dE_dchi_dev().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi_
private

Referenced by dE_dchi_semi().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dphi_dev_
private

Referenced by dE_dphi_dev().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dpsi_dev_
private

Referenced by dE_dpsi_dev().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb_
private

Referenced by dneglnrotprob_dbb().

Real3 core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb_
private

Referenced by drotprob_dbb().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev_
private

Referenced by fa_dun_dev().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot_
private

Referenced by fa_dun_rot().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi_
private

Referenced by fa_dun_semi().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot_
private

Referenced by fa_dun_tot().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob_
private

Referenced by negln_rotprob().

Real core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob_
private

Referenced by rotprob().

Size4 core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell_
private

Referenced by rotwell().


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