mmdb::math::Graph Class Reference

#include <mmdb_math_graph.h>

Inheritance diagram for mmdb::math::Graph:

List of all members.

Public Member Functions
	Graph ()
	Graph (PResidue R, cpstr altLoc=NULL)
	Graph (io::RPStream Object)
	~Graph ()
void	Reset ()
void	SetName (cpstr gname)
pstr	GetName ()
void	AddVertex (PVertex V)
void	AddEdge (PEdge G)
void	SetVertices (PPVertex V, int vlen)
void	SetEdges (PPEdge G, int glen)
void	RemoveChirality ()
void	LeaveChirality (int eltype)
int	MakeGraph (PResidue R, cpstr altLoc=NULL)
int	MakeGraph (PPAtom atom, int nAtoms)
void	HideType (int bond_vx_type)
void	ExcludeType (int type)
void	MakeSymmetryRelief (bool noCO2)
void	IdentifyRings ()
int	IdentifyConnectedComponents ()
int	Build (bool bondOrder)
void	MakeVertexIDs ()
int	GetVertexID (int vertexNo)
int	GetVertexNo (cpstr vname)
int	GetNBondedVertices (int vertexNo)
int	GetBondedVertexID (int vertexNo, int bond_vx_type, int bondNo)
PVertex	GetVertex (int vertexNo)
int	GetNofVertices ()
PEdge	GetEdge (int edgeNo)
int	GetNofEdges ()
void	GetVertices (PPVertex &V, int &nV)
void	GetEdges (PPEdge &E, int &nE)
virtual void	Print ()
void	Print1 ()
virtual void	Copy (PGraph G)
void	read (io::RFile f)
void	write (io::RFile f)
void	mem_read (cpstr S, int &l)
void	mem_write (pstr S, int &l)
Protected Member Functions
void	InitGraph ()
void	FreeMemory ()
void	markConnected (int vno, int cno)
Protected Attributes
pstr	name
int	nVertices
int	nEdges
int	nAllVertices
int	nAllEdges
PPVertex	vertex
PPEdge	edge
imatrix	graph
Friends
class	GraphMatch
class	CSBase0

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Constructor & Destructor Documentation

mmdb::math::Graph::Graph

(

)

mmdb::math::Graph::Graph	(	PResidue	R,
		cpstr	altLoc = NULL
	)

mmdb::math::Graph::Graph

(

io::RPStream

Object )

mmdb::math::Graph::~Graph

(

)

---

Member Function Documentation

void mmdb::math::Graph::AddEdge

(

PEdge

G )

void mmdb::math::Graph::AddVertex

(

PVertex

V )

int mmdb::math::Graph::Build

(

bool

bondOrder )

void mmdb::math::Graph::Copy

(

PGraph

G )

[virtual]

void mmdb::math::Graph::ExcludeType

(

int

type )

void mmdb::math::Graph::FreeMemory

(

)

[protected]

int mmdb::math::Graph::GetBondedVertexID	(	int	vertexNo,
		int	bond_vx_type,
		int	bondNo
	)

PEdge mmdb::math::Graph::GetEdge

(

int

edgeNo )

void mmdb::math::Graph::GetEdges	(	PPEdge &	E,
		int &	nE
	)

pstr mmdb::math::Graph::GetName

(

)

[inline]

int mmdb::math::Graph::GetNBondedVertices

(

int

vertexNo )

int mmdb::math::Graph::GetNofEdges

(

)

[inline]

int mmdb::math::Graph::GetNofVertices

(

)

[inline]

PVertex mmdb::math::Graph::GetVertex

(

int

vertexNo )

int mmdb::math::Graph::GetVertexID

(

int

vertexNo )

int mmdb::math::Graph::GetVertexNo

(

cpstr

vname )

void mmdb::math::Graph::GetVertices	(	PPVertex &	V,
		int &	nV
	)

void mmdb::math::Graph::HideType

(

int

bond_vx_type )

int mmdb::math::Graph::IdentifyConnectedComponents

(

)

void mmdb::math::Graph::IdentifyRings

(

)

void mmdb::math::Graph::InitGraph

(

)

[protected]

void mmdb::math::Graph::LeaveChirality

(

int

eltype )

int mmdb::math::Graph::MakeGraph	(	PResidue	R,
		cpstr	altLoc = NULL
	)

int mmdb::math::Graph::MakeGraph	(	PPAtom	atom,
		int	nAtoms
	)

void mmdb::math::Graph::MakeSymmetryRelief

(

bool

noCO2 )

void mmdb::math::Graph::MakeVertexIDs

(

)

void mmdb::math::Graph::markConnected	(	int	vno,
		int	cno
	)		[protected]

void mmdb::math::Graph::mem_read	(	cpstr	S,
		int &	l
	)

void mmdb::math::Graph::mem_write	(	pstr	S,
		int &	l
	)

void mmdb::math::Graph::Print

(

)

[virtual]

void mmdb::math::Graph::Print1

(

)

void mmdb::math::Graph::read

(

io::RFile

f )

void mmdb::math::Graph::RemoveChirality

(

)

void mmdb::math::Graph::Reset

(

)

void mmdb::math::Graph::SetEdges	(	PPEdge	G,
		int	glen
	)

void mmdb::math::Graph::SetName

(

cpstr

gname )

void mmdb::math::Graph::SetVertices	(	PPVertex	V,
		int	vlen
	)

void mmdb::math::Graph::write

(

io::RFile

f )

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Friends And Related Function Documentation

friend class CSBase0 [friend]

friend class GraphMatch [friend]

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Member Data Documentation

PPEdge mmdb::math::Graph::edge [protected]

imatrix mmdb::math::Graph::graph [protected]

int mmdb::math::Graph::nAllEdges [protected]

int mmdb::math::Graph::nAllVertices [protected]

pstr mmdb::math::Graph::name [protected]

int mmdb::math::Graph::nEdges [protected]

int mmdb::math::Graph::nVertices [protected]

PPVertex mmdb::math::Graph::vertex [protected]

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

• src/mmdb_math_graph.h
• src/mmdb_math_graph.cpp