Public Member Functions
bool	SearchCycle (List< int > vertex, int first, int size=0)

bool	AlreadyAdded (Dictionary< int, List< int >> connectivityList, int key, int atom)

void	addInDict (Dictionary< int, List< int >> connectivityList, int ring1, int atom1, int ring2, int atom2)

bool	SearchConnection (Dictionary< int, List< int >> connectivityList, List< int > trashlist, int r1=-1, int size=0)

Public Attributes
List< GraphVertex >	neighbor = new List<GraphVertex>()

int	idRing = -1

char	type

int	id

string	resname

Vector3	coordinate

bool	flag =false

Detailed Description

This class is made to convert an atom (postion X,Y,Z) to a object with a list of neighbor.

Each neighbor is a "GraphVertex" object and it's made for a quick cycle search.

Definition at line 10 of file GraphVertex.cs.

Member Function Documentation

void GraphVertex.addInDict	(	Dictionary< int, List< int >>	connectivityList,
		int	ring1,
		int	atom1,
		int	ring2,
		int	atom2
	)

Definition at line 79 of file GraphVertex.cs.

References AlreadyAdded().

Referenced by SearchConnection().

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bool GraphVertex.AlreadyAdded	(	Dictionary< int, List< int >>	connectivityList,
		int	key,
		int	atom
	)

Definition at line 62 of file GraphVertex.cs.

Referenced by addInDict().

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bool GraphVertex.SearchConnection	(	Dictionary< int, List< int >>	connectivityList,
		List< int >	trashlist,
		int	r1 = `-1`,
		int	size = `0`
	)

Definition at line 90 of file GraphVertex.cs.

References addInDict(), id, and idRing.

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bool GraphVertex.SearchCycle	(	List< int >	vertex,
		int	first,
		int	size = `0`
	)

This function will search recursivly a cycle : We "walk" from atom to atom, and if we find the atom which we start of, (between 3 and 7 step, for "triangles" to hexagone), we return TRUE to say that we found a cycle and to add the atom to a list of atoms.