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core::pack::dunbrack::RotamerLibraryScratchSpace Class Reference

#include <RotamerLibraryScratchSpace.hh>

Inheritance 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
 
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 ()
 

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_
 

Detailed Description

Definition at line 36 of file RotamerLibraryScratchSpace.hh.

Constructor & Destructor Documentation

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

All the fixedsizearrays are allocated and initialized to 0

Definition at line 25 of file RotamerLibraryScratchSpace.cc.

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

Definition at line 31 of file RotamerLibraryScratchSpace.cc.

Member Function Documentation

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

Definition at line 53 of file RotamerLibraryScratchSpace.hh.

References chidev_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv().

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

Definition at line 87 of file RotamerLibraryScratchSpace.hh.

References chidev_.

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

Definition at line 54 of file RotamerLibraryScratchSpace.hh.

References chidevpen_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep().

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

Definition at line 88 of file RotamerLibraryScratchSpace.hh.

References chidevpen_.

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

Definition at line 51 of file RotamerLibraryScratchSpace.hh.

References chimean_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 85 of file RotamerLibraryScratchSpace.hh.

References chimean_.

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

Definition at line 52 of file RotamerLibraryScratchSpace.hh.

References chisd_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 86 of file RotamerLibraryScratchSpace.hh.

References chisd_.

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

Definition at line 61 of file RotamerLibraryScratchSpace.hh.

References dchidevpen_dbb_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 95 of file RotamerLibraryScratchSpace.hh.

References dchidevpen_dbb_.

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

Definition at line 62 of file RotamerLibraryScratchSpace.hh.

References dchidevpen_dchi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 96 of file RotamerLibraryScratchSpace.hh.

References dchidevpen_dchi_.

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

Definition at line 57 of file RotamerLibraryScratchSpace.hh.

References dchimean_dphi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 91 of file RotamerLibraryScratchSpace.hh.

References dchimean_dphi_.

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

Definition at line 58 of file RotamerLibraryScratchSpace.hh.

References dchimean_dpsi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 92 of file RotamerLibraryScratchSpace.hh.

References dchimean_dpsi_.

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

Definition at line 59 of file RotamerLibraryScratchSpace.hh.

References dchisd_dphi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 93 of file RotamerLibraryScratchSpace.hh.

References dchisd_dphi_.

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

Definition at line 60 of file RotamerLibraryScratchSpace.hh.

References dchisd_dpsi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 94 of file RotamerLibraryScratchSpace.hh.

References dchisd_dpsi_.

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

Definition at line 63 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::SingleLigandRotamerLibrary::rotamer_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::RotamerLibrary::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 97 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_.

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

Definition at line 64 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_dev_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 98 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_dev_.

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

Definition at line 99 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_rot_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 65 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_semi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep().

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

Definition at line 100 of file RotamerLibraryScratchSpace.hh.

References dE_dbb_semi_.

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

Definition at line 66 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::SingleLigandRotamerLibrary::rotamer_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::RotamerLibrary::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 101 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_.

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

Definition at line 67 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_dev_.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 102 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_dev_.

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

Definition at line 68 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_semi_.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 103 of file RotamerLibraryScratchSpace.hh.

References dE_dchi_semi_.

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

Definition at line 71 of file RotamerLibraryScratchSpace.hh.

References dE_dphi_dev_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv().

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

Definition at line 106 of file RotamerLibraryScratchSpace.hh.

References dE_dphi_dev_.

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

Definition at line 73 of file RotamerLibraryScratchSpace.hh.

References dE_dpsi_dev_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv().

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

Definition at line 108 of file RotamerLibraryScratchSpace.hh.

References dE_dpsi_dev_.

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

Definition at line 56 of file RotamerLibraryScratchSpace.hh.

References dneglnrotprob_dbb_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv().

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

Definition at line 90 of file RotamerLibraryScratchSpace.hh.

References dneglnrotprob_dbb_.

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

Definition at line 55 of file RotamerLibraryScratchSpace.hh.

References drotprob_dbb_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 89 of file RotamerLibraryScratchSpace.hh.

References drotprob_dbb_.

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

Definition at line 79 of file RotamerLibraryScratchSpace.hh.

References fa_dun_dev_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::DunbrackEnergy::residue_energy().

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

Definition at line 114 of file RotamerLibraryScratchSpace.hh.

References fa_dun_dev_.

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

Definition at line 77 of file RotamerLibraryScratchSpace.hh.

References fa_dun_rot_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::DunbrackEnergy::residue_energy(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep().

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

Definition at line 112 of file RotamerLibraryScratchSpace.hh.

References fa_dun_rot_.

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

Definition at line 78 of file RotamerLibraryScratchSpace.hh.

References fa_dun_semi_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::DunbrackEnergy::residue_energy(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 113 of file RotamerLibraryScratchSpace.hh.

References fa_dun_semi_.

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

Definition at line 76 of file RotamerLibraryScratchSpace.hh.

References fa_dun_tot_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 111 of file RotamerLibraryScratchSpace.hh.

References fa_dun_tot_.

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

Definition at line 49 of file RotamerLibraryScratchSpace.hh.

References negln_rotprob_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers().

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

Definition at line 83 of file RotamerLibraryScratchSpace.hh.

References negln_rotprob_.

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

Definition at line 48 of file RotamerLibraryScratchSpace.hh.

References rotprob_.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbind().

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

Definition at line 82 of file RotamerLibraryScratchSpace.hh.

References rotprob_.

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

Definition at line 50 of file RotamerLibraryScratchSpace.hh.

References rotwell_.

Referenced by core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::bbdep_nrchi_score(), core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::bbind_nrchi_score(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::best_rotamer_energy(), and core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv().

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

Definition at line 84 of file RotamerLibraryScratchSpace.hh.

References rotwell_.

Member Data Documentation

Size const core::pack::dunbrack::RotamerLibraryScratchSpace::AA_PHI_INDEX = 1
static

Definition at line 40 of file RotamerLibraryScratchSpace.hh.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep().

Size const core::pack::dunbrack::RotamerLibraryScratchSpace::AA_PSI_INDEX = 2
static

Definition at line 41 of file RotamerLibraryScratchSpace.hh.

Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::correct_termini_derivatives(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::eval_rotameric_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::interpolate_rotamers(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T >::rotamer_energy_deriv_bbdep().

Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chidev_
private

Definition at line 124 of file RotamerLibraryScratchSpace.hh.

Referenced by chidev().

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

Definition at line 125 of file RotamerLibraryScratchSpace.hh.

Referenced by chidevpen().

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

Definition at line 122 of file RotamerLibraryScratchSpace.hh.

Referenced by chimean().

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

Definition at line 123 of file RotamerLibraryScratchSpace.hh.

Referenced by chisd().

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

Definition at line 132 of file RotamerLibraryScratchSpace.hh.

Referenced by dchidevpen_dbb().

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

Definition at line 133 of file RotamerLibraryScratchSpace.hh.

Referenced by dchidevpen_dchi().

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

Definition at line 128 of file RotamerLibraryScratchSpace.hh.

Referenced by dchimean_dphi().

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

Definition at line 129 of file RotamerLibraryScratchSpace.hh.

Referenced by dchimean_dpsi().

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

Definition at line 130 of file RotamerLibraryScratchSpace.hh.

Referenced by dchisd_dphi().

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

Definition at line 131 of file RotamerLibraryScratchSpace.hh.

Referenced by dchisd_dpsi().

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

Definition at line 134 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dbb().

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

Definition at line 135 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dbb_dev().

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

Definition at line 136 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dbb_rot().

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

Definition at line 137 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dbb_semi().

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

Definition at line 138 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dchi().

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

Definition at line 139 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dchi_dev().

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

Definition at line 140 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dchi_semi().

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

Definition at line 143 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dphi_dev().

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

Definition at line 145 of file RotamerLibraryScratchSpace.hh.

Referenced by dE_dpsi_dev().

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

Definition at line 127 of file RotamerLibraryScratchSpace.hh.

Referenced by dneglnrotprob_dbb().

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

Definition at line 126 of file RotamerLibraryScratchSpace.hh.

Referenced by drotprob_dbb().

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

Definition at line 152 of file RotamerLibraryScratchSpace.hh.

Referenced by fa_dun_dev().

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

Definition at line 150 of file RotamerLibraryScratchSpace.hh.

Referenced by fa_dun_rot().

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

Definition at line 151 of file RotamerLibraryScratchSpace.hh.

Referenced by fa_dun_semi().

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

Definition at line 149 of file RotamerLibraryScratchSpace.hh.

Referenced by fa_dun_tot().

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

Definition at line 120 of file RotamerLibraryScratchSpace.hh.

Referenced by negln_rotprob().

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

Definition at line 119 of file RotamerLibraryScratchSpace.hh.

Referenced by rotprob().

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

Definition at line 121 of file RotamerLibraryScratchSpace.hh.

Referenced by rotwell().

The documentation for this class was generated from the following files:
Generated on Sat Jun 1 2013 12:27:00 for Rosetta 3.5 by   doxygen 1.8.4