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protocols::helical_bundle::BundleGridSamplerHelper Class Reference

BundleGridSamplerHelper class, which stores options for the PerturbBundle mover. More...

#include <BundleGridSamplerHelper.hh>

Inheritance diagram for protocols::helical_bundle::BundleGridSamplerHelper:
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Public Member Functions

 BundleGridSamplerHelper ()
 constructors More...
 
virtual BundleGridSamplerHelperOP clone () const
 Copy this BundleGridSamplerHelper object( allocate actual memory for it ) More...
 
void reset ()
 Reset this BundleGridSamplerHelper object. More...
 
BundleGridSamplerHelperCOP get_self_ptr () const
 self pointers More...
 
BundleGridSamplerHelperOP get_self_ptr ()
 
BundleGridSamplerHelperCAP get_self_weak_ptr () const
 
BundleGridSamplerHelperAP get_self_weak_ptr ()
 
void initialize_samples ()
 Perform the pre-calculation that sets up the lists of parameter values to be sampled. More...
 
core::Size nDoFs () const
 Returns the number of different DoFs that the BundleGridSampler will sample over. More...
 
core::Size DoF_helix_index (core::Size const &index) const
 Returns the helix index of the specified DoF. More...
 
BPC_Parameters DoF_type (core::Size const &index) const
 Returns the DoF type of the specified DoF. More...
 
core::Real DoF_sample_value (core::Size const &index) const
 Returns the current sample value for the specified DoF. More...
 
void add_DoF (BPC_Parameters const doftype, core::Size const helix_index, core::Size const n_samples, core::Real const &lower_val, core::Real const &upper_val)
 Add an allowed DoF that the BundleGridSampler will sample over. More...
 
void increment_cur_indices ()
 RECURSIVE function that increments the current sample index. More...
 
std::string const & DoF_name (BPC_Parameters const &type) const
 Return the name of a DoF type given its enum. More...
 

Private Member Functions

void increment_cur_indices (core::Size const index_to_increment)
 RECURSIVE function that increments the current sample index. More...
 

Private Attributes

core::Size nDoFs_
 Number of DoFs that will be sampled by the BundleGridSampler mover. More...
 
utility::vector1< BPC_Parametersallowed_dof_types_
 Allowed DoF types. More...
 
utility::vector1< core::Sizeallowed_dof_helix_indices_
 Allowed DoF helix indices. More...
 
utility::vector1< core::Sizedof_samples_
 Number of samples for each DoF. More...
 
utility::vector1< core::Realdof_lower_vals_
 Lower bound of the range sampled for each DoF. More...
 
utility::vector1< core::Realdof_upper_vals_
 Upper bound of the range sampled for each DoF. More...
 
utility::vector1
< utility::vector1< core::Real > > 
dof_sample_vals_
 The vector of vectors of sample values for each DoF. More...
 
utility::vector1< core::Sizecur_indices_
 The vector indicating the current set of values that we're sampling. More...
 

Detailed Description

BundleGridSamplerHelper class, which stores options for the PerturbBundle mover.

Constructor & Destructor Documentation

protocols::helical_bundle::BundleGridSamplerHelper::BundleGridSamplerHelper ( )

constructors

Constructor.

Member Function Documentation

void protocols::helical_bundle::BundleGridSamplerHelper::add_DoF ( BPC_Parameters const  doftype,
core::Size const  helix_index,
core::Size const  n_samples,
core::Real const &  lower_val,
core::Real const &  upper_val 
)
inline

Add an allowed DoF that the BundleGridSampler will sample over.

Must specify the DoF type, the helix index, the number of samples, and the lower and upper bounds of the range to be sampled.

References allowed_dof_helix_indices_, allowed_dof_types_, dof_lower_vals_, dof_samples_, dof_upper_vals_, and nDoFs_.

BundleGridSamplerHelperOP protocols::helical_bundle::BundleGridSamplerHelper::clone ( ) const
virtual

Copy this BundleGridSamplerHelper object( allocate actual memory for it )

make a copy of this BundleGridSamplerHelper object (allocate actual memory for it)

core::Size protocols::helical_bundle::BundleGridSamplerHelper::DoF_helix_index ( core::Size const &  index) const
inline

Returns the helix index of the specified DoF.

References allowed_dof_helix_indices_.

std::string const& protocols::helical_bundle::BundleGridSamplerHelper::DoF_name ( BPC_Parameters const &  type) const
inline

Return the name of a DoF type given its enum.

References protocols::helical_bundle::BundleParametrizationCalculator::parameter_name_from_enum().

Referenced by initialize_samples().

core::Real protocols::helical_bundle::BundleGridSamplerHelper::DoF_sample_value ( core::Size const &  index) const
inline

Returns the current sample value for the specified DoF.

References cur_indices_, and dof_sample_vals_.

BPC_Parameters protocols::helical_bundle::BundleGridSamplerHelper::DoF_type ( core::Size const &  index) const
inline

Returns the DoF type of the specified DoF.

References allowed_dof_types_.

BundleGridSamplerHelperCOP protocols::helical_bundle::BundleGridSamplerHelper::get_self_ptr ( ) const
inline

self pointers

BundleGridSamplerHelperOP protocols::helical_bundle::BundleGridSamplerHelper::get_self_ptr ( )
inline
BundleGridSamplerHelperCAP protocols::helical_bundle::BundleGridSamplerHelper::get_self_weak_ptr ( ) const
inline
BundleGridSamplerHelperAP protocols::helical_bundle::BundleGridSamplerHelper::get_self_weak_ptr ( )
inline
void protocols::helical_bundle::BundleGridSamplerHelper::increment_cur_indices ( )

RECURSIVE function that increments the current sample index.

This function adds 1 to the last DoF index. If the last DoF index value exceeds the number of samples for that DoF, it resets that DoF index and increments the second-last DoF index by 1 by recursively calling itself. This function is overloaded; the public version by default tries to increment the last index, while the private version can be called recursively.

References nDoFs().

Referenced by increment_cur_indices().

void protocols::helical_bundle::BundleGridSamplerHelper::increment_cur_indices ( core::Size const  index_to_increment)
private

RECURSIVE function that increments the current sample index.

This function adds 1 to the last DoF index. If the last DoF index value exceeds the number of samples for that DoF, it resets that DoF index and increments the second-last DoF index by 1 by recursively calling itself.

References cur_indices_, dof_sample_vals_, and increment_cur_indices().

void protocols::helical_bundle::BundleGridSamplerHelper::initialize_samples ( )

Perform the pre-calculation that sets up the lists of parameter values to be sampled.

References allowed_dof_helix_indices_, allowed_dof_types_, cur_indices_, dof_lower_vals_, DoF_name(), dof_sample_vals_, dof_samples_, dof_upper_vals_, nDoFs(), and protocols::helical_bundle::TR().

core::Size protocols::helical_bundle::BundleGridSamplerHelper::nDoFs ( ) const
inline

Returns the number of different DoFs that the BundleGridSampler will sample over.

References nDoFs_.

Referenced by increment_cur_indices(), and initialize_samples().

void protocols::helical_bundle::BundleGridSamplerHelper::reset ( void  )

Member Data Documentation

utility::vector1< core::Size > protocols::helical_bundle::BundleGridSamplerHelper::allowed_dof_helix_indices_
private

Allowed DoF helix indices.

This class stores a list of allowed DoFs that will be sampled by the BundleGridSampler mover. It does this in several vectors. This one lists the relevant helix index.

Referenced by add_DoF(), DoF_helix_index(), initialize_samples(), and reset().

utility::vector1< BPC_Parameters > protocols::helical_bundle::BundleGridSamplerHelper::allowed_dof_types_
private

Allowed DoF types.

This class stores a list of allowed DoFs that will be sampled by the BundleGridSampler mover. It does this in several vectors. This one lists the DoF type (r0, omega0, etc.).

Referenced by add_DoF(), DoF_type(), initialize_samples(), and reset().

utility::vector1< core::Size > protocols::helical_bundle::BundleGridSamplerHelper::cur_indices_
private

The vector indicating the current set of values that we're sampling.

Entries in this vector represent indices in the dof_sample_vals_ vector.

Referenced by DoF_sample_value(), increment_cur_indices(), initialize_samples(), and reset().

utility::vector1< core::Real > protocols::helical_bundle::BundleGridSamplerHelper::dof_lower_vals_
private

Lower bound of the range sampled for each DoF.

This class stores a list of allowed DoFs that will be sampled by the BundleGridSampler mover. It does this in several vectors. This one lists the lower bound of the range sampled for each DoF.

Referenced by add_DoF(), initialize_samples(), and reset().

utility::vector1< utility::vector1 < core::Real > > protocols::helical_bundle::BundleGridSamplerHelper::dof_sample_vals_
private

The vector of vectors of sample values for each DoF.

This is pre-computed by the initialize_samples() function.

Referenced by DoF_sample_value(), increment_cur_indices(), initialize_samples(), and reset().

utility::vector1< core::Size > protocols::helical_bundle::BundleGridSamplerHelper::dof_samples_
private

Number of samples for each DoF.

This class stores a list of allowed DoFs that will be sampled by the BundleGridSampler mover. It does this in several vectors. This one lists the number of samples for each DoF.

Referenced by add_DoF(), initialize_samples(), and reset().

utility::vector1< core::Real > protocols::helical_bundle::BundleGridSamplerHelper::dof_upper_vals_
private

Upper bound of the range sampled for each DoF.

This class stores a list of allowed DoFs that will be sampled by the BundleGridSampler mover. It does this in several vectors. This one lists the upper bound of the range sampled for each DoF.

Referenced by add_DoF(), initialize_samples(), and reset().

core::Size protocols::helical_bundle::BundleGridSamplerHelper::nDoFs_
private

Number of DoFs that will be sampled by the BundleGridSampler mover.

Referenced by add_DoF(), nDoFs(), and reset().


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