Public Member Functions
	ChemicalShift ()

Public Attributes
unsigned	atm_kind

std::vector< unsigned >	bb

std::vector< unsigned >	box_nb

unsigned	chain

Value *	comp

unsigned	csatoms

double	exp_cs

bool	has_chi1

unsigned	ipos

std::string	nucleus

unsigned	res_kind

std::string	res_name

unsigned	res_num

unsigned	res_type_curr

unsigned	res_type_next

unsigned	res_type_prev

std::vector< unsigned >	side_chain

unsigned	totcsatoms

std::vector< int >	xd1

std::vector< int >	xd2

Constructor & Destructor Documentation

◆ ChemicalShift()

PLMD::isdb::CS2Backbone::ChemicalShift::ChemicalShift ( )

inline

Member Data Documentation

◆ atm_kind

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::atm_kind

◆ bb

std::vector<unsigned> PLMD::isdb::CS2Backbone::ChemicalShift::bb

◆ box_nb

std::vector<unsigned> PLMD::isdb::CS2Backbone::ChemicalShift::box_nb

◆ chain

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::chain

◆ comp

Value* PLMD::isdb::CS2Backbone::ChemicalShift::comp

◆ csatoms

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::csatoms

◆ exp_cs

double PLMD::isdb::CS2Backbone::ChemicalShift::exp_cs

◆ has_chi1

bool PLMD::isdb::CS2Backbone::ChemicalShift::has_chi1

◆ ipos

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::ipos

◆ nucleus

std::string PLMD::isdb::CS2Backbone::ChemicalShift::nucleus

◆ res_kind

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::res_kind

◆ res_name

std::string PLMD::isdb::CS2Backbone::ChemicalShift::res_name

◆ res_num

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::res_num

◆ res_type_curr

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::res_type_curr

◆ res_type_next

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::res_type_next

◆ res_type_prev

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::res_type_prev

◆ side_chain

std::vector<unsigned> PLMD::isdb::CS2Backbone::ChemicalShift::side_chain

◆ totcsatoms

unsigned PLMD::isdb::CS2Backbone::ChemicalShift::totcsatoms

◆ xd1

std::vector<int> PLMD::isdb::CS2Backbone::ChemicalShift::xd1

◆ xd2

std::vector<int> PLMD::isdb::CS2Backbone::ChemicalShift::xd2

The documentation for this struct was generated from the following file:

isdb/CS2Backbone.cpp

Public Member Functions

Public Attributes