protocols::toolbox::match_enzdes_util::GeomSampleInfo Class Reference

class that stores information of one geometric parameter line of the .cst file i.e. angleA or torsionB More...

#include <MatchConstraintFileInfo.hh>

Public Member Functions
	GeomSampleInfo (std::string tag)
	GeomSampleInfo (core::Real ideal_val, core::Real tolerance, core::Real force_k, core::Real periodicity_)
virtual	~GeomSampleInfo ()
bool	read_data (std::istringstream &line_stream)
	data reading routine More...
utility::vector1< core::Real >	create_sample_vector () const
	creates an explicit sample vector from the input data i.e. translates ideal value, tolerance, num_steps and periodicity into a vector of values More...
std::string	tag () const
core::Real	ideal_val () const
core::Real	tolerance () const
core::Real	periodicity () const
core::Real	force_const () const
core::Size	num_steps () const
core::Real	step_size () const
std::string	function_tag () const

Private Attributes
std::string	tag_
std::string	function_tag_
core::Real	ideal_val_
core::Real	tolerance_
core::Real	periodicity_
core::Real	force_const_
core::Size	num_steps_
core::Real	step_size_

Detailed Description

class that stores information of one geometric parameter line of the .cst file i.e. angleA or torsionB

Constructor & Destructor Documentation

protocols::toolbox::match_enzdes_util::GeomSampleInfo::GeomSampleInfo

(

std::string

tag

)

protocols::toolbox::match_enzdes_util::GeomSampleInfo::GeomSampleInfo	(	core::Real	ideal_val,
		core::Real	tolerance,
		core::Real	force_k,
		core::Real	periodicity_
	)

protocols::toolbox::match_enzdes_util::GeomSampleInfo::~GeomSampleInfo ( )

virtual

Member Function Documentation

utility::vector1< core::Real > protocols::toolbox::match_enzdes_util::GeomSampleInfo::create_sample_vector

(

)

const

creates an explicit sample vector from the input data i.e. translates ideal value, tolerance, num_steps and periodicity into a vector of values

References distance(), ideal_val_, num_steps_, periodicity_, step_size_, tag_, protocols::toolbox::match_enzdes_util::tr, and basic::unsigned_periodic_range().

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::force_const ( ) const

inline

References force_const_.

std::string protocols::toolbox::match_enzdes_util::GeomSampleInfo::function_tag ( ) const

inline

References function_tag_.

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::ideal_val ( ) const

inline

References ideal_val_.

core::Size protocols::toolbox::match_enzdes_util::GeomSampleInfo::num_steps ( ) const

inline

References num_steps_.

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::periodicity ( ) const

inline

References periodicity_.

bool protocols::toolbox::match_enzdes_util::GeomSampleInfo::read_data

(

std::istringstream &

line_stream

)

data reading routine

References force_const_, function_tag_, ideal_val_, num_steps_, periodicity_, step_size_, tag_, tolerance_, protocols::toolbox::match_enzdes_util::tr, and utility_exit_with_message.

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::step_size ( ) const

inline

References step_size_.

std::string protocols::toolbox::match_enzdes_util::GeomSampleInfo::tag ( ) const

inline

References tag_.

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::tolerance ( ) const

inline

References tolerance_.

Referenced by protocols::match::downstream::AtomDihedralSecMatchRPE::AtomDihedralSecMatchRPE().

Member Data Documentation

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::force_const_

private

Referenced by force_const(), and read_data().

std::string protocols::toolbox::match_enzdes_util::GeomSampleInfo::function_tag_

private

Referenced by function_tag(), and read_data().

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::ideal_val_

private

Referenced by create_sample_vector(), ideal_val(), and read_data().

core::Size protocols::toolbox::match_enzdes_util::GeomSampleInfo::num_steps_

private

Referenced by create_sample_vector(), num_steps(), and read_data().

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::periodicity_

private

Referenced by create_sample_vector(), periodicity(), and read_data().

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::step_size_

private

Referenced by create_sample_vector(), read_data(), and step_size().

std::string protocols::toolbox::match_enzdes_util::GeomSampleInfo::tag_

private

Referenced by create_sample_vector(), read_data(), and tag().

core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::tolerance_

private

Referenced by read_data(), and tolerance().

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

• src/protocols/toolbox/match_enzdes_util/MatchConstraintFileInfo.hh
• src/protocols/toolbox/match_enzdes_util/MatchConstraintFileInfo.cc