protocols::scoring::ResidualDipolarCouplingRigidSegments Class Reference

ResidualDipolarCouplingRigidSegmentss are mainly handled by this class related classed: RDC --- a single line in an RDC file - representing a single dipolar coupling ResidualDipolarCouplingRigidSegmentsEnergy -- an energy method which triggers computations handled by this class. More...

#include <ResidualDipolarCouplingRigidSegments.hh>

Inheritance diagram for protocols::scoring::ResidualDipolarCouplingRigidSegments:

Collaboration diagram for protocols::scoring::ResidualDipolarCouplingRigidSegments:

List of all members.

Public Types
typedef core::Real	Real
typedef core::Size	Size
typedef core::scoring::ResidualDipolarCoupling::RDC_lines	RDC_lines
typedef utility::vector1 < core::scoring::ResidualDipolarCouplingOP >	RDC_Segments
Public Member Functions
	ResidualDipolarCouplingRigidSegments ()
	standard c'stor -- will access option -in:file:rdc to read RDC data
basic::datacache::CacheableDataOP	clone () const
	alternative c'stor if you have a list of RDC lines
core::Real	compute_total_score (core::pose::Pose const &pose) const
	compute dipolar score for given segment definition alignment tensor optimization will be performed for each segment individually
core::Real	compute_pairwise_score () const
void	show (std::ostream &) const
	read RDC data from file

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Detailed Description

ResidualDipolarCouplingRigidSegmentss are mainly handled by this class related classed: RDC --- a single line in an RDC file - representing a single dipolar coupling ResidualDipolarCouplingRigidSegmentsEnergy -- an energy method which triggers computations handled by this class.

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Member Typedef Documentation

typedef core::scoring::ResidualDipolarCoupling::RDC_lines protocols::scoring::ResidualDipolarCouplingRigidSegments::RDC_lines

typedef utility::vector1< core::scoring::ResidualDipolarCouplingOP > protocols::scoring::ResidualDipolarCouplingRigidSegments::RDC_Segments

typedef core::Real protocols::scoring::ResidualDipolarCouplingRigidSegments::Real

typedef core::Size protocols::scoring::ResidualDipolarCouplingRigidSegments::Size

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Constructor & Destructor Documentation

protocols::scoring::ResidualDipolarCouplingRigidSegments::ResidualDipolarCouplingRigidSegments

(

)

[inline]

standard c'stor -- will access option -in:file:rdc to read RDC data

Referenced by clone().

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Member Function Documentation

basic::datacache::CacheableDataOP protocols::scoring::ResidualDipolarCouplingRigidSegments::clone

(

)

const [inline]

alternative c'stor if you have a list of RDC lines

References ResidualDipolarCouplingRigidSegments().

Real protocols::scoring::ResidualDipolarCouplingRigidSegments::compute_pairwise_score

(

)

const

References tr().

Real protocols::scoring::ResidualDipolarCouplingRigidSegments::compute_total_score

(

core::pose::Pose const &

pose

)

const

compute dipolar score for given segment definition alignment tensor optimization will be performed for each segment individually

void protocols::scoring::ResidualDipolarCouplingRigidSegments::show

(

std::ostream &

out

)

const

read RDC data from file

total score must have been evaluated before calls to this method are made.

Referenced by protocols::scoring::operator<<().

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

• src/protocols/scoring/ResidualDipolarCouplingRigidSegments.hh
• src/protocols/scoring/ResidualDipolarCouplingRigidSegments.cc