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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>

Inheritance diagram for protocols::toolbox::match_enzdes_util::GeomSampleInfo:
Inheritance graph
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Public Member Functions

 GeomSampleInfo (std::string const &tag)
 
 GeomSampleInfo (core::Real ideal_val, core::Real tolerance, core::Real force_k, core::Real periodicity, core::Size num_steps=0)
 
 GeomSampleInfo (GeomSampleInfo const &gsi)
 
 ~GeomSampleInfo () override
 
bool read_data (std::istringstream &line_stream)
 data reading routine More...
 
utility::vector1< core::Realcreate_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...
 
void tag (std::string const &tag)
 
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 const &  tag)
protocols::toolbox::match_enzdes_util::GeomSampleInfo::GeomSampleInfo ( core::Real  ideal_val,
core::Real  tolerance,
core::Real  force_k,
core::Real  periodicity,
core::Size  num_steps = 0 
)

References num_steps_, step_size_, and tolerance_.

protocols::toolbox::match_enzdes_util::GeomSampleInfo::GeomSampleInfo ( GeomSampleInfo const &  gsi)
protocols::toolbox::match_enzdes_util::GeomSampleInfo::~GeomSampleInfo ( )
overridedefault

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 core::kinematics::distance(), ideal_val_, num_steps_, periodicity_, step_size_, tag_, protocols::toolbox::match_enzdes_util::tr(), and protocols::hybridization::val.

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

References step_size_.

void protocols::toolbox::match_enzdes_util::GeomSampleInfo::tag ( std::string const &  tag)
inline

References tag(), and tag_.

Referenced by tag().

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

References tag_.

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

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
core::Size protocols::toolbox::match_enzdes_util::GeomSampleInfo::num_steps_
private
core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::periodicity_
private
core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::step_size_
private
std::string protocols::toolbox::match_enzdes_util::GeomSampleInfo::tag_
private
core::Real protocols::toolbox::match_enzdes_util::GeomSampleInfo::tolerance_
private

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