mmdb::SelManager Class Reference

#include <mmdb_selmngr.h>

Inheritance diagram for mmdb::SelManager:

List of all members.

Public Member Functions
	SelManager ()
	SelManager (io::RPStream Object)
	~SelManager ()
int	NewSelection ()
int	GetSelType (int selHnd)
void	DeleteSelection (int selHnd)
void	DeleteAllSelections ()
void	SelectAtoms (int selHnd, int iSer1, int iSer2, SELECTION_KEY selKey=SKEY_OR)
void	SelectAtoms (int selHnd, ivector asn, int nsn, SELECTION_KEY selKey=SKEY_OR)
void	UnselectAtoms (int selHnd, int iSer1, int iSer2)
void	SelectAtom (int selHnd, PAtom A, SELECTION_KEY selKey=SKEY_OR, bool makeIndex=true)
void	SelectResidue (int selHnd, PResidue Res, SELECTION_TYPE sType, SELECTION_KEY sKey, bool makeIndex)
void	SelectChain (int selHnd, PChain chain, SELECTION_TYPE sType, SELECTION_KEY sKey, bool makeIndex)
void	SelectModel (int selHnd, PModel mdl, SELECTION_TYPE sType, SELECTION_KEY sKey, bool makeIndex)
int	MakeSelIndex (int selHnd)
void	MakeAllSelIndexes ()
void	SelectAtoms (int selHnd, int iModel, cpstr Chains, int ResNo1, cpstr Ins1, int ResNo2, cpstr Ins2, cpstr RNames, cpstr ANames, cpstr Elements, cpstr altLocs, cpstr Segments, cpstr Charges, realtype occ1, realtype occ2, realtype x0, realtype y0, realtype z0, realtype d0, SELECTION_KEY selKey=SKEY_OR)
void	SelectAtoms (int selHnd, int iModel, cpstr Chains, int ResNo1, cpstr Ins1, int ResNo2, cpstr Ins2, cpstr RNames, cpstr ANames, cpstr Elements, cpstr altLocs, SELECTION_KEY selKey=SKEY_OR)
void	SelectUDD (int selHnd, SELECTION_TYPE sType, int UDDhandle, int selMin, int selMax, SELECTION_KEY sKey)
void	SelectUDD (int selHnd, SELECTION_TYPE sType, int UDDhandle, realtype selMin, realtype selMax, SELECTION_KEY sKey)
void	SelectUDD (int selHnd, SELECTION_TYPE sType, int UDDhandle, cpstr selStr, int cmpRule, SELECTION_KEY sKey)
void	SelectSphere (int selHnd, SELECTION_TYPE sType, realtype x, realtype y, realtype z, realtype r, SELECTION_KEY sKey=SKEY_OR)
void	SelectCylinder (int selHnd, SELECTION_TYPE sType, realtype x1, realtype y1, realtype z1, realtype x2, realtype y2, realtype z2, realtype r, SELECTION_KEY sKey=SKEY_OR)
void	SelectSlab (int selHnd, SELECTION_TYPE sType, realtype a, realtype b, realtype c, realtype d, realtype r, SELECTION_KEY sKey=SKEY_OR)
void	SelectNeighbours (int selHnd, SELECTION_TYPE sType, PPAtom sA, int alen, realtype d1, realtype d2, SELECTION_KEY sKey=SKEY_OR)
int	GetSelLength (int selHnd)
void	GetSelIndex (int selHnd, PPAtom &SelAtom, int &nSelAtoms)
void	GetSelIndex (int selHnd, PPResidue &SelResidues, int &nSelResidues)
void	GetSelIndex (int selHnd, PPChain &SelChains, int &nSelChains)
void	GetSelIndex (int selHnd, PPModel &SelModels, int &nSelModels)
void	GetAtomStatistics (int selHnd, RAtomStat AS)
void	Select (int selHnd, SELECTION_TYPE sType, int iModel, cpstr Chains, int ResNo1, cpstr Ins1, int ResNo2, cpstr Ins2, cpstr RNames, cpstr ANames, cpstr Elements, cpstr altLocs, cpstr Segments, cpstr Charges, realtype occ1, realtype occ2, realtype x0, realtype y0, realtype z0, realtype d0, SELECTION_KEY sKey=SKEY_OR)
void	Select (int selHnd, SELECTION_TYPE sType, int iModel, cpstr Chains, int ResNo1, cpstr Ins1, int ResNo2, cpstr Ins2, cpstr RNames, cpstr ANames, cpstr Elements, cpstr altLocs, SELECTION_KEY sKey=SKEY_OR)
int	Select (int selHnd, SELECTION_TYPE sType, cpstr CID, SELECTION_KEY sKey)
void	Select (int selHnd1, SELECTION_TYPE sType, int selHnd2, SELECTION_KEY sKey=SKEY_OR)
void	SelectProperty (int selHnd, SELECTION_PROPERTY propKey, SELECTION_TYPE sType, SELECTION_KEY sKey)
int	SelectDomain (int selHnd, cpstr domainRange, SELECTION_TYPE sType, SELECTION_KEY sKey, int modelNo=1)
void	DeleteSelObjects (int selHnd)
Protected Member Functions
void	write (io::RFile f)
void	read (io::RFile f)
void	InitSelManager ()
void	SelectAtom (PAtom atm, int maskNo, SELECTION_KEY sKey, int &nsel)
void	SelectObject (SELECTION_TYPE sType, PAtom atm, int maskNo, SELECTION_KEY sKey, int &nsel)
void	SelectObject (PMask object, int maskNo, SELECTION_KEY sKey, int &nsel)
void	MakeSelIndex (int selHnd, SELECTION_TYPE sType, int nsel)
void	ResetManager ()
PMask	GetSelMask (int selHnd)
Protected Attributes
int	nSelections
PPMask	mask
SELECTION_TYPE *	selType
ivector	nSelItems
PPMask *	selection

---

Constructor & Destructor Documentation

mmdb::SelManager::SelManager

(

)

mmdb::SelManager::SelManager

(

io::RPStream

Object )

mmdb::SelManager::~SelManager

(

)

---

Member Function Documentation

void mmdb::SelManager::DeleteAllSelections

(

)

void mmdb::SelManager::DeleteSelection

(

int

selHnd )

void mmdb::SelManager::DeleteSelObjects

(

int

selHnd )

void mmdb::SelManager::GetAtomStatistics	(	int	selHnd,
		RAtomStat	AS
	)

void mmdb::SelManager::GetSelIndex	(	int	selHnd,
		PPResidue &	SelResidues,
		int &	nSelResidues
	)

void mmdb::SelManager::GetSelIndex	(	int	selHnd,
		PPChain &	SelChains,
		int &	nSelChains
	)

void mmdb::SelManager::GetSelIndex	(	int	selHnd,
		PPModel &	SelModels,
		int &	nSelModels
	)

void mmdb::SelManager::GetSelIndex	(	int	selHnd,
		PPAtom &	SelAtom,
		int &	nSelAtoms
	)

int mmdb::SelManager::GetSelLength

(

int

selHnd )

PMask mmdb::SelManager::GetSelMask

(

int

selHnd )

[protected, virtual]

Reimplemented from mmdb::Root.

int mmdb::SelManager::GetSelType

(

int

selHnd )

void mmdb::SelManager::InitSelManager

(

)

[protected]

void mmdb::SelManager::MakeAllSelIndexes

(

)

void mmdb::SelManager::MakeSelIndex	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	nsel
	)		[protected]

int mmdb::SelManager::MakeSelIndex

(

int

selHnd )

int mmdb::SelManager::NewSelection

(

)

void mmdb::SelManager::read

(

io::RFile

f )

[protected]

Reimplemented from mmdb::CoorManager.

Reimplemented in mmdb::BondManager, and mmdb::Manager.

void mmdb::SelManager::ResetManager

(

)

[protected, virtual]

Reimplemented from mmdb::CoorManager.

void mmdb::SelManager::Select	(	int	selHnd1,
		SELECTION_TYPE	sType,
		int	selHnd2,
		SELECTION_KEY	sKey = SKEY_OR
	)

int mmdb::SelManager::Select	(	int	selHnd,
		SELECTION_TYPE	sType,
		cpstr	CID,
		SELECTION_KEY	sKey
	)

void mmdb::SelManager::Select	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	iModel,
		cpstr	Chains,
		int	ResNo1,
		cpstr	Ins1,
		int	ResNo2,
		cpstr	Ins2,
		cpstr	RNames,
		cpstr	ANames,
		cpstr	Elements,
		cpstr	altLocs,
		cpstr	Segments,
		cpstr	Charges,
		realtype	occ1,
		realtype	occ2,
		realtype	x0,
		realtype	y0,
		realtype	z0,
		realtype	d0,
		SELECTION_KEY	sKey = SKEY_OR
	)

void mmdb::SelManager::Select	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	iModel,
		cpstr	Chains,
		int	ResNo1,
		cpstr	Ins1,
		int	ResNo2,
		cpstr	Ins2,
		cpstr	RNames,
		cpstr	ANames,
		cpstr	Elements,
		cpstr	altLocs,
		SELECTION_KEY	sKey = SKEY_OR
	)

void mmdb::SelManager::SelectAtom	(	int	selHnd,
		PAtom	A,
		SELECTION_KEY	selKey = SKEY_OR,
		bool	makeIndex = true
	)

void mmdb::SelManager::SelectAtom	(	PAtom	atm,
		int	maskNo,
		SELECTION_KEY	sKey,
		int &	nsel
	)		[protected]

void mmdb::SelManager::SelectAtoms	(	int	selHnd,
		int	iModel,
		cpstr	Chains,
		int	ResNo1,
		cpstr	Ins1,
		int	ResNo2,
		cpstr	Ins2,
		cpstr	RNames,
		cpstr	ANames,
		cpstr	Elements,
		cpstr	altLocs,
		SELECTION_KEY	selKey = SKEY_OR
	)

void mmdb::SelManager::SelectAtoms	(	int	selHnd,
		int	iSer1,
		int	iSer2,
		SELECTION_KEY	selKey = SKEY_OR
	)

void mmdb::SelManager::SelectAtoms	(	int	selHnd,
		ivector	asn,
		int	nsn,
		SELECTION_KEY	selKey = SKEY_OR
	)

void mmdb::SelManager::SelectAtoms	(	int	selHnd,
		int	iModel,
		cpstr	Chains,
		int	ResNo1,
		cpstr	Ins1,
		int	ResNo2,
		cpstr	Ins2,
		cpstr	RNames,
		cpstr	ANames,
		cpstr	Elements,
		cpstr	altLocs,
		cpstr	Segments,
		cpstr	Charges,
		realtype	occ1,
		realtype	occ2,
		realtype	x0,
		realtype	y0,
		realtype	z0,
		realtype	d0,
		SELECTION_KEY	selKey = SKEY_OR
	)

void mmdb::SelManager::SelectChain	(	int	selHnd,
		PChain	chain,
		SELECTION_TYPE	sType,
		SELECTION_KEY	sKey,
		bool	makeIndex
	)

void mmdb::SelManager::SelectCylinder	(	int	selHnd,
		SELECTION_TYPE	sType,
		realtype	x1,
		realtype	y1,
		realtype	z1,
		realtype	x2,
		realtype	y2,
		realtype	z2,
		realtype	r,
		SELECTION_KEY	sKey = SKEY_OR
	)

int mmdb::SelManager::SelectDomain	(	int	selHnd,
		cpstr	domainRange,
		SELECTION_TYPE	sType,
		SELECTION_KEY	sKey,
		int	modelNo = 1
	)

void mmdb::SelManager::SelectModel	(	int	selHnd,
		PModel	mdl,
		SELECTION_TYPE	sType,
		SELECTION_KEY	sKey,
		bool	makeIndex
	)

void mmdb::SelManager::SelectNeighbours	(	int	selHnd,
		SELECTION_TYPE	sType,
		PPAtom	sA,
		int	alen,
		realtype	d1,
		realtype	d2,
		SELECTION_KEY	sKey = SKEY_OR
	)

void mmdb::SelManager::SelectObject	(	SELECTION_TYPE	sType,
		PAtom	atm,
		int	maskNo,
		SELECTION_KEY	sKey,
		int &	nsel
	)		[protected]

void mmdb::SelManager::SelectObject	(	PMask	object,
		int	maskNo,
		SELECTION_KEY	sKey,
		int &	nsel
	)		[protected]

void mmdb::SelManager::SelectProperty	(	int	selHnd,
		SELECTION_PROPERTY	propKey,
		SELECTION_TYPE	sType,
		SELECTION_KEY	sKey
	)

void mmdb::SelManager::SelectResidue	(	int	selHnd,
		PResidue	Res,
		SELECTION_TYPE	sType,
		SELECTION_KEY	sKey,
		bool	makeIndex
	)

void mmdb::SelManager::SelectSlab	(	int	selHnd,
		SELECTION_TYPE	sType,
		realtype	a,
		realtype	b,
		realtype	c,
		realtype	d,
		realtype	r,
		SELECTION_KEY	sKey = SKEY_OR
	)

void mmdb::SelManager::SelectSphere	(	int	selHnd,
		SELECTION_TYPE	sType,
		realtype	x,
		realtype	y,
		realtype	z,
		realtype	r,
		SELECTION_KEY	sKey = SKEY_OR
	)

void mmdb::SelManager::SelectUDD	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	UDDhandle,
		realtype	selMin,
		realtype	selMax,
		SELECTION_KEY	sKey
	)

void mmdb::SelManager::SelectUDD	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	UDDhandle,
		int	selMin,
		int	selMax,
		SELECTION_KEY	sKey
	)

void mmdb::SelManager::SelectUDD	(	int	selHnd,
		SELECTION_TYPE	sType,
		int	UDDhandle,
		cpstr	selStr,
		int	cmpRule,
		SELECTION_KEY	sKey
	)

void mmdb::SelManager::UnselectAtoms	(	int	selHnd,
		int	iSer1,
		int	iSer2
	)

void mmdb::SelManager::write

(

io::RFile

f )

[protected]

Reimplemented from mmdb::CoorManager.

Reimplemented in mmdb::BondManager, and mmdb::Manager.

---

Member Data Documentation

PPMask mmdb::SelManager::mask [protected]

int mmdb::SelManager::nSelections [protected]

ivector mmdb::SelManager::nSelItems [protected]

PPMask* mmdb::SelManager::selection [protected]

SELECTION_TYPE* mmdb::SelManager::selType [protected]

---

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

• src/mmdb_selmngr.h
• src/mmdb_selmngr.cpp