protocols::constel::FilterByProxTerm Class Reference

#include <FilterByProxTerm.hh>

Static Public Member Functions
static void	init (core::pose::Pose const &ps, core::Real max_ct_dist, core::Real max_tt_dist, core::Size nres)
	filter initialization More...
static bool	is_satisfied (core::pose::Pose const &ps, utility::vector1< core::Size > const &cnl)
	tells whether a constellation satisfies the filter More...

Static Private Attributes
static utility::vector1 < ChainTerm >	chains_
	N- and C-terminal residues for each chain in the pose. More...
static core::Size	nchains_
	number of chains in the pose More...
static core::Real	max_ct_dist2_
	squared value of the maximum distance for a constellation to be considered proximal to the termini More...
static core::Size	nres_
	number of residues forming either terminus in a chain More...
static std::map< char, bool >	proxnc_
	chains with termini proximal to one another More...

Member Function Documentation

void protocols::constel::FilterByProxTerm::init ( core::pose::Pose const &  ps, core::Real  max_ct_dist, core::Real  max_tt_dist, core::Size  nres  )

static

filter initialization

filter initialization.

Parameters

[in]	ps	pose containing the constellations to be filtered..
[in]	max_ct_dist	maximum distance for a constellation to be considered proximal to the termini.
[in]	max_tt_dist	maximum distance for chain termini to be considered proximal to one another..
[in]	number	of residues forming either terminus of a chain.

References chains_, protocols::constel::get_chain_terms(), protocols::constel::has_prox_termini(), max_ct_dist2_, nchains_, nres_, and proxnc_.

bool protocols::constel::FilterByProxTerm::is_satisfied ( core::pose::Pose const &  ps, utility::vector1< core::Size > const &  cnl  )

static

tells whether a constellation satisfies the filter

tells whether a constellation satisfies the filter.

Parameters

[in]	ps	pose to which the constellation belongs.
[in]	cnl	indexes in the pose of the residues forming the constellation.

Returns

true if 1) the constellation is sufficiently close to the termini of at least one chain that it belongs to and 2) such termini are proximal to one another; false otherwise.

in the case of proximity, the search stops at the first chain to which the constellation belongs and such that an N- or C-terminal residue is proximal to the constellation. The N-terminus is considered first, in ascending order; the C-terminus is considered afterwards, in descending order; within either terminus the search stops at the first residue that is proximal to the constellation. Proximity is determined based on the distance between the center of mass of the constellation and the CA atom of the residue.

References chains_, protocols::constel::cnl_com(), protocols::membrane::com(), protocols::constel::ChainTerm::get_cid(), protocols::constel::ChainTerm::get_cps(), protocols::constel::ChainTerm::get_nps(), max_ct_dist2_, nchains_, nres_, core::pose::Pose::pdb_info(), proxnc_, core::pose::Pose::residue(), and core::conformation::Residue::xyz().

Member Data Documentation

vector1< ChainTerm > protocols::constel::FilterByProxTerm::chains_

staticprivate

N- and C-terminal residues for each chain in the pose.

Referenced by init(), and is_satisfied().

Real protocols::constel::FilterByProxTerm::max_ct_dist2_

staticprivate

squared value of the maximum distance for a constellation to be considered proximal to the termini

Referenced by init(), and is_satisfied().

Size protocols::constel::FilterByProxTerm::nchains_

staticprivate

number of chains in the pose

Referenced by init(), and is_satisfied().

Size protocols::constel::FilterByProxTerm::nres_

staticprivate

number of residues forming either terminus in a chain

Referenced by init(), and is_satisfied().

std::map< char, bool > protocols::constel::FilterByProxTerm::proxnc_

staticprivate

chains with termini proximal to one another

Referenced by init(), and is_satisfied().

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

• src/protocols/constel/FilterByProxTerm.hh
• src/protocols/constel/FilterByProxTerm.cc