protocols::make_rot_lib::MakeRotLibOptionsData Class Reference

#include <MakeRotLibOptionsData.hh>

Inheritance diagram for protocols::make_rot_lib::MakeRotLibOptionsData:

Public Member Functions
	MakeRotLibOptionsData (std::string filename)
	ctor More...
	~MakeRotLibOptionsData () override=default
	dtor More...
std::string	get_name () const
	acessors More...
core::Size	get_n_chi () const
core::Size	get_n_centroids () const
TorsionRange	get_omg_range () const
TorsionRange	get_bb_range (core::Size bb) const
utility::vector1< core::Size >	get_bb_ids () const
core::Size	get_n_bb () const
TorsionRange	get_eps_range () const
TorsionRangeVec	get_chi_data () const
CentroidRotNumVecVec	get_centroid_data () const
MakeRotLibPolymerType	get_polymer_type () const
bool	get_semirotameric () const
core::Real	get_temperature () const

Private Attributes
std::string	name_
core::Size	n_chi_
core::Size	n_bb_
TorsionRange	omg_range_
TorsionRange	eps_range_
TorsionRangeVec	bb_ranges_
utility::vector1< core::Size >	bb_ids_
TorsionRangeVec	chi_ranges_
core::Size	n_centroids_
CentroidRotNumVecVec	centroid_data_
MakeRotLibPolymerType	polymer_type_
bool	semirotameric_
core::Real	KbT_

Detailed Description

Stores all options contained in a MakeRotLib option file

Constructor & Destructor Documentation

protocols::make_rot_lib::MakeRotLibOptionsData::MakeRotLibOptionsData

(

std::string

filename

)

ctor

Reads in options file. Parses it twice. Stores data.

References bb_ids_, bb_ranges_, centroid_data_, chi_ranges_, eps_range_, core::chemical::FA_STANDARD, protocols::make_rot_lib::TorsionRange::high, KbT_, protocols::make_rot_lib::TorsionRange::low, n_bb_, n_centroids_, n_chi_, name_, omg_range_, protocols::make_rot_lib::PEPTIDE, protocols::make_rot_lib::PEPTOID, polymer_type_, semirotameric_, protocols::make_rot_lib::TorsionRange::step, and protocols::make_rot_lib::TR().

protocols::make_rot_lib::MakeRotLibOptionsData::~MakeRotLibOptionsData ( )

overridedefault

dtor

Member Function Documentation

utility::vector1< core::Size > protocols::make_rot_lib::MakeRotLibOptionsData::get_bb_ids ( ) const

inline

References bb_ids_.

TorsionRange protocols::make_rot_lib::MakeRotLibOptionsData::get_bb_range ( core::Size  bb ) const

inline

References bb_ranges_.

CentroidRotNumVecVec protocols::make_rot_lib::MakeRotLibOptionsData::get_centroid_data ( ) const

inline

References centroid_data_.

TorsionRangeVec protocols::make_rot_lib::MakeRotLibOptionsData::get_chi_data ( ) const

inline

References chi_ranges_.

TorsionRange protocols::make_rot_lib::MakeRotLibOptionsData::get_eps_range ( ) const

inline

References eps_range_.

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::get_n_bb ( ) const

inline

References n_bb_.

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::get_n_centroids ( ) const

inline

References n_centroids_.

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::get_n_chi ( ) const

inline

References n_chi_.

std::string protocols::make_rot_lib::MakeRotLibOptionsData::get_name ( ) const

inline

acessors

References name_.

TorsionRange protocols::make_rot_lib::MakeRotLibOptionsData::get_omg_range ( ) const

inline

References omg_range_.

MakeRotLibPolymerType protocols::make_rot_lib::MakeRotLibOptionsData::get_polymer_type ( ) const

inline

References polymer_type_.

bool protocols::make_rot_lib::MakeRotLibOptionsData::get_semirotameric ( ) const

inline

References semirotameric_.

core::Real protocols::make_rot_lib::MakeRotLibOptionsData::get_temperature ( ) const

inline

References KbT_.

Member Data Documentation

utility::vector1< core::Size > protocols::make_rot_lib::MakeRotLibOptionsData::bb_ids_

private

Referenced by get_bb_ids(), and MakeRotLibOptionsData().

TorsionRangeVec protocols::make_rot_lib::MakeRotLibOptionsData::bb_ranges_

private

Referenced by get_bb_range(), and MakeRotLibOptionsData().

CentroidRotNumVecVec protocols::make_rot_lib::MakeRotLibOptionsData::centroid_data_

private

Referenced by get_centroid_data(), and MakeRotLibOptionsData().

TorsionRangeVec protocols::make_rot_lib::MakeRotLibOptionsData::chi_ranges_

private

Referenced by get_chi_data(), and MakeRotLibOptionsData().

TorsionRange protocols::make_rot_lib::MakeRotLibOptionsData::eps_range_

private

Referenced by get_eps_range(), and MakeRotLibOptionsData().

core::Real protocols::make_rot_lib::MakeRotLibOptionsData::KbT_

private

Referenced by get_temperature(), and MakeRotLibOptionsData().

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::n_bb_

private

Referenced by get_n_bb(), and MakeRotLibOptionsData().

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::n_centroids_

private

Referenced by get_n_centroids(), and MakeRotLibOptionsData().

core::Size protocols::make_rot_lib::MakeRotLibOptionsData::n_chi_

private

Referenced by get_n_chi(), and MakeRotLibOptionsData().

std::string protocols::make_rot_lib::MakeRotLibOptionsData::name_

private

Referenced by get_name(), and MakeRotLibOptionsData().

TorsionRange protocols::make_rot_lib::MakeRotLibOptionsData::omg_range_

private

Referenced by get_omg_range(), and MakeRotLibOptionsData().

MakeRotLibPolymerType protocols::make_rot_lib::MakeRotLibOptionsData::polymer_type_

private

Referenced by get_polymer_type(), and MakeRotLibOptionsData().

bool protocols::make_rot_lib::MakeRotLibOptionsData::semirotameric_

private

Referenced by get_semirotameric(), and MakeRotLibOptionsData().

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

• src/protocols/make_rot_lib/MakeRotLibOptionsData.hh
• src/protocols/make_rot_lib/MakeRotLibOptionsData.cc