PLMD::isdb::CS2BackboneDB Class Reference

Public Member Functions
unsigned	atom_kind (const std::string &s)
double *	CO_DA (const unsigned a_kind, const unsigned at_kind)
double *	CO_RING (const unsigned a_kind, const unsigned at_kind)
double *	CO_SPHERE (const unsigned a_kind, const unsigned at_kind, unsigned exp_type)
double *	CONST_BB2 (const unsigned a_kind, const unsigned at_kind)
double *	CONST_SC2 (const unsigned a_kind, const unsigned at_kind, unsigned res_type)
double *	CONST_XD (const unsigned a_kind, const unsigned at_kind)
double *	CONSTAACURR (const unsigned a_kind, const unsigned at_kind)
double *	CONSTAANEXT (const unsigned a_kind, const unsigned at_kind)
double *	CONSTAAPREV (const unsigned a_kind, const unsigned at_kind)
unsigned	get_numXtraDists ()
unsigned	kind (const std::string &s)
double *	PARS_DA (const unsigned a_kind, const unsigned at_kind, const unsigned ang_kind)
void	parse (const std::string &file, const double dscale)

Private Types
enum	{   HA_ATOM , H_ATOM , N_ATOM , CA_ATOM ,   CB_ATOM , C_ATOM }
enum	{ STD , GLY , PRO }

Private Member Functions
void	assign (double *f, const std::vector< std::string > &v, const double scale)
std::vector< std::string >	split (const std::string &s, char delim)
std::vector< std::string > &	split (const std::string &s, char delim, std::vector< std::string > &elems)

Private Attributes
double	c_aa [aa_kind][atm_kind][20]
double	c_aa_prev [aa_kind][atm_kind][20]
double	c_aa_succ [aa_kind][atm_kind][20]
double	co_bb [aa_kind][atm_kind][16]
double	co_da [aa_kind][atm_kind][3]
double	co_ring [aa_kind][atm_kind][5]
double	co_sc_ [aa_kind][atm_kind][20][20]
double	co_sphere [aa_kind][atm_kind][2][8]
double	co_xd [aa_kind][atm_kind][numXtraDists]
double	pars_da [aa_kind][atm_kind][3][5]

Static Private Attributes
static const unsigned	aa_kind = 3
static const unsigned	atm_kind = 6
static const unsigned	numXtraDists = 27

Member Enumeration Documentation

anonymous enum

anonymous enum

private

Enumerator
HA_ATOM
H_ATOM
N_ATOM
CA_ATOM
CB_ATOM
C_ATOM

anonymous enum

anonymous enum

private

Enumerator
STD
GLY
PRO

Member Function Documentation

assign()

void PLMD::isdb::CS2BackboneDB::assign ( double * f, const std::vector< std::string > & v, const double scale )

inlineprivate

atom_kind()

unsigned PLMD::isdb::CS2BackboneDB::atom_kind ( const std::string & s )

inline

CO_DA()

double * PLMD::isdb::CS2BackboneDB::CO_DA ( const unsigned a_kind, const unsigned at_kind )

inline

CO_RING()

double * PLMD::isdb::CS2BackboneDB::CO_RING ( const unsigned a_kind, const unsigned at_kind )

inline

CO_SPHERE()

double * PLMD::isdb::CS2BackboneDB::CO_SPHERE ( const unsigned a_kind, const unsigned at_kind, unsigned exp_type )

inline

CONST_BB2()

double * PLMD::isdb::CS2BackboneDB::CONST_BB2 ( const unsigned a_kind, const unsigned at_kind )

inline

CONST_SC2()

double * PLMD::isdb::CS2BackboneDB::CONST_SC2 ( const unsigned a_kind, const unsigned at_kind, unsigned res_type )

inline

CONST_XD()

double * PLMD::isdb::CS2BackboneDB::CONST_XD ( const unsigned a_kind, const unsigned at_kind )

inline

CONSTAACURR()

double * PLMD::isdb::CS2BackboneDB::CONSTAACURR ( const unsigned a_kind, const unsigned at_kind )

inline

CONSTAANEXT()

double * PLMD::isdb::CS2BackboneDB::CONSTAANEXT ( const unsigned a_kind, const unsigned at_kind )

inline

CONSTAAPREV()

double * PLMD::isdb::CS2BackboneDB::CONSTAAPREV ( const unsigned a_kind, const unsigned at_kind )

inline

get_numXtraDists()

unsigned PLMD::isdb::CS2BackboneDB::get_numXtraDists ( )

inline

kind()

unsigned PLMD::isdb::CS2BackboneDB::kind ( const std::string & s )

inline

PARS_DA()

double * PLMD::isdb::CS2BackboneDB::PARS_DA ( const unsigned a_kind, const unsigned at_kind, const unsigned ang_kind )

inline

parse()

void PLMD::isdb::CS2BackboneDB::parse ( const std::string & file, const double dscale )

inline

split() [1/2]

std::vector< std::string > PLMD::isdb::CS2BackboneDB::split ( const std::string & s, char delim )

inlineprivate

split() [2/2]

std::vector< std::string > & PLMD::isdb::CS2BackboneDB::split ( const std::string & s, char delim, std::vector< std::string > & elems )

inlineprivate

Member Data Documentation

aa_kind

const unsigned PLMD::isdb::CS2BackboneDB::aa_kind = 3

staticprivate

atm_kind

const unsigned PLMD::isdb::CS2BackboneDB::atm_kind = 6

staticprivate

c_aa

double PLMD::isdb::CS2BackboneDB::c_aa[aa_kind][atm_kind][20]

private

c_aa_prev

double PLMD::isdb::CS2BackboneDB::c_aa_prev[aa_kind][atm_kind][20]

private

c_aa_succ

double PLMD::isdb::CS2BackboneDB::c_aa_succ[aa_kind][atm_kind][20]

private

co_bb

double PLMD::isdb::CS2BackboneDB::co_bb[aa_kind][atm_kind][16]

private

co_da

double PLMD::isdb::CS2BackboneDB::co_da[aa_kind][atm_kind][3]

private

co_ring

double PLMD::isdb::CS2BackboneDB::co_ring[aa_kind][atm_kind][5]

private

co_sc_

double PLMD::isdb::CS2BackboneDB::co_sc_[aa_kind][atm_kind][20][20]

private

co_sphere

double PLMD::isdb::CS2BackboneDB::co_sphere[aa_kind][atm_kind][2][8]

private

co_xd

double PLMD::isdb::CS2BackboneDB::co_xd[aa_kind][atm_kind][numXtraDists]

private

numXtraDists

const unsigned PLMD::isdb::CS2BackboneDB::numXtraDists = 27

staticprivate

pars_da

double PLMD::isdb::CS2BackboneDB::pars_da[aa_kind][atm_kind][3][5]

private

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

• isdb/CS2Backbone.cpp