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protocols::helical_bundle_predict::HBPHelixParameters Class Reference

Helical parameters stored by the HBPHelix class. More...

#include <HBPHelixAssignments.hh>

Inheritance diagram for protocols::helical_bundle_predict::HBPHelixParameters:
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Public Member Functions

 HBPHelixParameters ()
 Default constructor. More...
 
 HBPHelixParameters (HBPHelixParameters const &src)
 Copy constructor. More...
 
 ~HBPHelixParameters () override
 Destructor. More...
 
HBPHelixParametersOP clone () const
 Create a copy of this object and return an owning pointer to the copy. More...
 
void set_r0_min (core::Real const &setting)
 Set minimum r0 value. More...
 
void set_r0_max (core::Real const &setting)
 Set maximum r0 value. More...
 
void set_omega0_min (core::Real const &setting)
 Set minimum omega0 value. More...
 
void set_omega0_max (core::Real const &setting)
 Set maximum omega0 value. More...
 
void set_delta_omega1_min (core::Real const &setting)
 Set minimum delta_omega1 value. More...
 
void set_delta_omega1_max (core::Real const &setting)
 Set maximum delta_omega1 value. More...
 
void set_calculator (protocols::helical_bundle::BundleParametrizationCalculatorCOP const &calculator_in)
 Set the bundle parameterization calculator. More...
 
void create_calculator_from_file (std::string const &filename)
 Create a new bundle parameterization calculator, and initialize it from a Crick params file. More...
 
protocols::helical_bundle::BundleParametrizationCalculatorCOP bundle_calculator () const
 Access the bundle calculator (const-access). More...
 
protocols::helical_bundle::BundleParametrizationCalculatorOP bundle_calculator ()
 Access the bundle calculator (nonconst-access). More...
 
std::pair< core::Real,
core::Real > const & 
r0_range () const
 Get the r0 range. More...
 
std::pair< core::Real,
core::Real > const & 
omega0_range () const
 Get the omega0 range. More...
 
std::pair< core::Real,
core::Real > const & 
delta_omega1_range () const
 Get the delta_omega1 range. More...
 

Private Attributes

std::pair< core::Real, core::Realr0_range_
 The range of r0 values that are allowed. More...
 
std::pair< core::Real, core::Realomega0_range_
 The range of omega0 values that are allowed. More...
 
std::pair< core::Real, core::Realdelta_omega1_range_
 The range of delta_omega1 values that are allowed. More...
 
protocols::helical_bundle::BundleParametrizationCalculatorOP bundle_calculator_
 Helper object to calculate Crick parameterization. More...
 

Friends

class ::HBPHelixAssignmentsTests
 

Detailed Description

Helical parameters stored by the HBPHelix class.

Allows the HBPHelix class to avoid storing these parameters if it needn't.

Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org).

Constructor & Destructor Documentation

protocols::helical_bundle_predict::HBPHelixParameters::HBPHelixParameters ( )

Default constructor.

protocols::helical_bundle_predict::HBPHelixParameters::HBPHelixParameters ( HBPHelixParameters const &  src)

Copy constructor.

References bundle_calculator_.

protocols::helical_bundle_predict::HBPHelixParameters::~HBPHelixParameters ( )
override

Destructor.

Member Function Documentation

protocols::helical_bundle::BundleParametrizationCalculatorCOP protocols::helical_bundle_predict::HBPHelixParameters::bundle_calculator ( ) const
inline

Access the bundle calculator (const-access).

References bundle_calculator_.

protocols::helical_bundle::BundleParametrizationCalculatorOP protocols::helical_bundle_predict::HBPHelixParameters::bundle_calculator ( )
inline

Access the bundle calculator (nonconst-access).

References bundle_calculator_.

HBPHelixParametersOP protocols::helical_bundle_predict::HBPHelixParameters::clone ( ) const

Create a copy of this object and return an owning pointer to the copy.

void protocols::helical_bundle_predict::HBPHelixParameters::create_calculator_from_file ( std::string const &  filename)

Create a new bundle parameterization calculator, and initialize it from a Crick params file.

WARNING! Triggers read from disk!

References bundle_calculator_.

std::pair< core::Real, core::Real > const& protocols::helical_bundle_predict::HBPHelixParameters::delta_omega1_range ( ) const
inline

Get the delta_omega1 range.

Settings should be in radians.

References delta_omega1_range_.

std::pair< core::Real, core::Real > const& protocols::helical_bundle_predict::HBPHelixParameters::omega0_range ( ) const
inline

Get the omega0 range.

Settings should be in radians.

References omega0_range_.

std::pair< core::Real, core::Real > const& protocols::helical_bundle_predict::HBPHelixParameters::r0_range ( ) const
inline

Get the r0 range.

References r0_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_calculator ( protocols::helical_bundle::BundleParametrizationCalculatorCOP const &  calculator_in)

Set the bundle parameterization calculator.

Input is cloned.

References bundle_calculator_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_delta_omega1_max ( core::Real const &  setting)

Set maximum delta_omega1 value.

Settings should be in radians.

References delta_omega1_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_delta_omega1_min ( core::Real const &  setting)

Set minimum delta_omega1 value.

Settings should be in radians.

References delta_omega1_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_omega0_max ( core::Real const &  setting)

Set maximum omega0 value.

Settings should be in radians.

References omega0_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_omega0_min ( core::Real const &  setting)

Set minimum omega0 value.

Settings should be in radians.

References omega0_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_r0_max ( core::Real const &  setting)

Set maximum r0 value.

References r0_range_.

void protocols::helical_bundle_predict::HBPHelixParameters::set_r0_min ( core::Real const &  setting)

Set minimum r0 value.

References r0_range_.

Friends And Related Function Documentation

friend class ::HBPHelixAssignmentsTests
friend

Member Data Documentation

protocols::helical_bundle::BundleParametrizationCalculatorOP protocols::helical_bundle_predict::HBPHelixParameters::bundle_calculator_
private

Helper object to calculate Crick parameterization.

Referenced by bundle_calculator(), create_calculator_from_file(), HBPHelixParameters(), and set_calculator().

std::pair< core::Real, core::Real > protocols::helical_bundle_predict::HBPHelixParameters::delta_omega1_range_
private

The range of delta_omega1 values that are allowed.

Settings should be in radians.

Referenced by delta_omega1_range(), set_delta_omega1_max(), and set_delta_omega1_min().

std::pair< core::Real, core::Real > protocols::helical_bundle_predict::HBPHelixParameters::omega0_range_
private

The range of omega0 values that are allowed.

Settings should be in radians.

Referenced by omega0_range(), set_omega0_max(), and set_omega0_min().

std::pair< core::Real, core::Real > protocols::helical_bundle_predict::HBPHelixParameters::r0_range_
private

The range of r0 values that are allowed.

Referenced by r0_range(), set_r0_max(), and set_r0_min().


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