#include <RotamerLibraryScratchSpace.hh>
| core::pack::dunbrack::RotamerLibraryScratchSpace::RotamerLibraryScratchSpace |
( |
| ) |
|
All the fixedsizearrays are allocated and initialized to 0
| core::pack::dunbrack::RotamerLibraryScratchSpace::~RotamerLibraryScratchSpace |
( |
| ) |
|
|
overridedefault |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chidev |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chidev |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chimean |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chimean |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::chisd |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::chisd |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi |
( |
| ) |
|
|
inline |
| FiveReal4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dbb |
( |
| ) |
const |
|
inline |
| FiveReal4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dbb |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_domg |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_domg |
( |
| ) |
|
|
inline |
| FiveReal4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dbb |
( |
| ) |
const |
|
inline |
| FiveReal4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dbb |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_domg |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_domg |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb |
( |
| ) |
const |
|
inline |
References dE_dbb_.
Referenced by core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::correct_termini_derivatives(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_dof_derivative(), core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::cenrot::CenRotDunEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary::eval_rotameric_energy_bb_dof_deriv(), core::pack::rotamers::SingleLigandRotamerLibrary::rotamer_energy_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::rotamer_energy_deriv(), core::pack::dunbrack::RotamerLibrary::rotamer_energy_deriv(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::rotamer_energy_deriv_bbdep().
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev |
( |
| ) |
|
|
inline |
| FiveReal4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev_perchi |
( |
| ) |
const |
|
inline |
| FiveReal4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev_perchi |
( |
| ) |
|
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_rot |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev |
( |
| ) |
|
|
inline |
| Real4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi |
( |
| ) |
const |
|
inline |
| Real4& core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi |
( |
| ) |
|
|
inline |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dentropy_dbb |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dentropy_dbb |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb |
( |
| ) |
|
|
inline |
| Real5 const& core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb |
( |
| ) |
const |
|
inline |
| Real5& core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::entropy |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::entropy |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob |
( |
| ) |
|
|
inline |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob |
( |
| ) |
const |
|
inline |
| Real& core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob |
( |
| ) |
|
|
inline |
| Size4 const& core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell |
( |
| ) |
const |
|
inline |
| Size4& core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell |
( |
| ) |
|
|
inline |
| Size const core::pack::dunbrack::RotamerLibraryScratchSpace::AA_OMG_INDEX = 3 |
|
static |
| 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 |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chidevpen_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chimean_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::chisd_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dbb_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchidevpen_dchi_ |
|
private |
| FiveReal4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_dbb_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchimean_domg_ |
|
private |
| FiveReal4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_dbb_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dchisd_domg_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev_ |
|
private |
| FiveReal4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_dev_perchi_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_rot_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dbb_semi_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_dev_ |
|
private |
| Real4 core::pack::dunbrack::RotamerLibraryScratchSpace::dE_dchi_semi_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dentropy_dbb_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::dneglnrotprob_dbb_ |
|
private |
| Real5 core::pack::dunbrack::RotamerLibraryScratchSpace::drotprob_dbb_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::entropy_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_dev_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_rot_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_semi_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::fa_dun_tot_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::negln_rotprob_ |
|
private |
| Real core::pack::dunbrack::RotamerLibraryScratchSpace::rotprob_ |
|
private |
| Size4 core::pack::dunbrack::RotamerLibraryScratchSpace::rotwell_ |
|
private |
The documentation for this class was generated from the following files: