BioResidue Class Reference

#include <BioResidue.h>

List of all members.

Public Member Functions
	BioResidue ()
	~BioResidue ()
BioResidue &	operator= (const BioResidue &r)
	BioResidue (const BioResidue &r)
	BioResidue (const string &)
	BioResidue (unsigned long, string, string, long, float, float, float, float, float, string)
	BioResidue (const string &resname_, vector< BioAtom >, const long resnum_=0)
string	getResidueName () const
long	getResidueNumber () const
unsigned int	getNumberOfAtoms () const
int	getAtomIndex (const string &) const
unsigned long	getLastAtomNumber () const
string	getLastAtomName () const
BioAtom	getLastAtom ()
void	setResidueName (string res_name)
void	setResidueNumber (long res_num)
void	pushAtom (const BioAtom &)
void	pushAtom (const unsigned long atnumber, const string &atname, const float x1, const float y1, const float z1, const float oc1, const float bf1, string rec)
BioResidue	eraseHydrogen ()
BioAtom	getAtom (string)
BioAtom	getAtom (unsigned int) const
bool	findAtom (const string &aa)
BioPoint	getCentroid ()
void	showResidue (ostream &=cout, char= 'A')
float	getTorsionAngle (string, string, string, string)
float	getTorsionAngle (int, int, int, int)
float	getDistance (int, float, float, float)
float	getDistance (const string &, float, float, float)
float	getDistance (const string &, const BioAtom &)
float	getDistance (int, const BioAtom &)
void	showChiAngles (ostream &=cout)
void	chiAngles (ostream &=cout)
Friends
bool	operator> (const BioResidue &, const BioResidue &)
bool	operator< (const BioResidue &, const BioResidue &)
bool	operator== (const BioResidue &, const BioResidue &)
ostream &	operator<< (ostream &os, BioResidue &ip)

---

Constructor & Destructor Documentation

BioResidue::BioResidue

(

)

BioResidue::~BioResidue

(

)

BioResidue::BioResidue

(

const BioResidue &

r

)

BioResidue::BioResidue

(

const string &

)

BioResidue::BioResidue	(	unsigned	long,
		string	,
		string	,
		long	,
		float	,
		float	,
		float	,
		float	,
		float	,
		string
	)

BioResidue::BioResidue	(	const string &	resname_,
		vector< BioAtom >	,
		const long	resnum_ = 0
	)

---

Member Function Documentation

void BioResidue::chiAngles

(

ostream &

= cout

)

BioResidue BioResidue::eraseHydrogen

(

)

bool BioResidue::findAtom

(

const string &

aa

)

BioAtom BioResidue::getAtom

(

string

)

BioAtom BioResidue::getAtom

(

unsigned

int

)

const

int BioResidue::getAtomIndex

(

const string &

)

const

BioPoint BioResidue::getCentroid

(

)

float BioResidue::getDistance	(	int	,
		float	,
		float	,
		float
	)

float BioResidue::getDistance	(	const string &	,
		float	,
		float	,
		float
	)

float BioResidue::getDistance	(	const string &	,
		const BioAtom &
	)

float BioResidue::getDistance	(	int	,
		const BioAtom &
	)

BioAtom BioResidue::getLastAtom

(

)

string BioResidue::getLastAtomName

(

)

const

unsigned long BioResidue::getLastAtomNumber

(

)

const

unsigned int BioResidue::getNumberOfAtoms

(

)

const

string BioResidue::getResidueName

(

)

const

long BioResidue::getResidueNumber

(

)

const

float BioResidue::getTorsionAngle	(	string	,
		string	,
		string	,
		string
	)

float BioResidue::getTorsionAngle	(	int	,
		int	,
		int	,
		int
	)

BioResidue& BioResidue::operator=

(

const BioResidue &

r

)

void BioResidue::pushAtom

(

const BioAtom &

)

void BioResidue::pushAtom	(	const unsigned long	atnumber,
		const string &	atname,
		const float	x1,
		const float	y1,
		const float	z1,
		const float	oc1,
		const float	bf1,
		string	rec
	)

void BioResidue::setResidueName

(

string

res_name

)

void BioResidue::setResidueNumber

(

long

res_num

)

void BioResidue::showChiAngles

(

ostream &

= cout

)

void BioResidue::showResidue	(	ostream &	= cout,
		char	= 'A'
	)

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Friends And Related Function Documentation

bool operator<	(	const BioResidue &	,
		const BioResidue &
	)		[friend]

ostream& operator<<	(	ostream &	os,
		BioResidue &	ip
	)		[friend]

bool operator==	(	const BioResidue &	,
		const BioResidue &
	)		[friend]

bool operator>	(	const BioResidue &	,
		const BioResidue &
	)		[friend]

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

• BioResidue.h