HBondedPairIterator Class Reference

Inheritance diagram for HBondedPairIterator:

Public Member Functions
	HBondedPairIterator ()
	HBondedPairIterator (std::string resn1, std::string resn2, double tol_ang=20.0, double tol_resl=5.0)

Public Attributes
core::pose::Pose	pose_
core::pose::Pose	pose0_
core::pack::dunbrack::RotamerLibraryScratchSpace	scratch_
core::pack::rotamer_set::RotamerSetOP	rotset1_
core::pack::rotamer_set::RotamerSetOP	rotset2_
Size	irot1_
Size	irot2_
Size	idon_
Size	iacc_
Size	iorb_
Size	ihbr_
Size	nrots1_
Size	nrots2_
utility::vector1< Size >	donor_atoms_
utility::vector1< Size >	donor_bases_
utility::vector1< Size >	acceptor_atoms_
utility::vector1< utility::vector1< Size > >	acceptor_orbitals_
utility::vector1< numeric::xyzMatrix< double > >	rot_samples_

Private Member Functions
Pose const &	dereference () const
void	update_chi ()
bool	update_hb (bool realign=true)
void	increment ()
bool	equal (HBondedPairIterator const &o) const

Friends
class	boost::iterator_core_access

Constructor & Destructor Documentation

HBondedPairIterator() [1/2]

HBondedPairIterator::HBondedPairIterator ( )

inline

HBondedPairIterator() [2/2]

HBondedPairIterator::HBondedPairIterator ( std::string  resn1, std::string  resn2, double  tol_ang = 20.0, double  tol_resl = 5.0  )

inline

References utility::io::oc::cout, get_hbond_rotation_samples(), get_rot_set(), create_a3b_hbs::i, create_a3b_hbs::increment, create_a3b_hbs::j, printf(), beta_nonlocal::rts, subloop_histogram::size, and utility_exit_with_message.

Member Function Documentation

dereference()

Pose const& HBondedPairIterator::dereference ( ) const

inlineprivate

equal()

bool HBondedPairIterator::equal ( HBondedPairIterator const &  o ) const

inlineprivate

References basic::options::OptionKeys::out::file::o.

increment()

void HBondedPairIterator::increment ( )

inlineprivate

References clash(), and subloop_histogram::size.

Referenced by pyrosetta.distributed.utility.log.ProgressLogger::__iadd__(), and pyrosetta.distributed.utility.log.ProgressLogger::iterate().

update_chi()

void HBondedPairIterator::update_chi ( )

inlineprivate

update_hb()

bool HBondedPairIterator::update_hb ( bool  realign = true )

inlineprivate

References a, numeric::xyzTransform< core::Real >::align(), basic::options::OptionKeys::crossmatch::clash_dis, natoms(), basic::options::OptionKeys::edensity::realign, and xform_pose().

Friends And Related Function Documentation

boost::iterator_core_access

friend class boost::iterator_core_access

friend

Member Data Documentation

acceptor_atoms_

utility::vector1<Size> HBondedPairIterator::acceptor_atoms_

acceptor_orbitals_

utility::vector1<utility::vector1<Size> > HBondedPairIterator::acceptor_orbitals_

donor_atoms_

utility::vector1<Size> HBondedPairIterator::donor_atoms_

donor_bases_

utility::vector1<Size> HBondedPairIterator::donor_bases_

iacc_

Size HBondedPairIterator::iacc_

idon_

Size HBondedPairIterator::idon_

ihbr_

Size HBondedPairIterator::ihbr_

iorb_

Size HBondedPairIterator::iorb_

irot1_

Size HBondedPairIterator::irot1_

irot2_

Size HBondedPairIterator::irot2_

nrots1_

Size HBondedPairIterator::nrots1_

nrots2_

Size HBondedPairIterator::nrots2_

pose0_

core::pose::Pose HBondedPairIterator::pose0_

pose_

core::pose::Pose HBondedPairIterator::pose_

Referenced by sidechain_cst_3.Residue::pose_num().

rot_samples_

utility::vector1<numeric::xyzMatrix<double> > HBondedPairIterator::rot_samples_

rotset1_

core::pack::rotamer_set::RotamerSetOP HBondedPairIterator::rotset1_

rotset2_

core::pack::rotamer_set::RotamerSetOP HBondedPairIterator::rotset2_

scratch_

core::pack::dunbrack::RotamerLibraryScratchSpace HBondedPairIterator::scratch_

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

• src/apps/pilot/will/old/motif_denovo_hb.cc