BALL::RSConstructor Class Reference

class, performing the prefabication of ringsystems (i.e. More...

#include <rsConstructor.h>

List of all members.

Public Types
typedef RingAnalyser::RingInfo	RingInfo
Public Member Functions
	RSConstructor ()
	Default-Constructor.
virtual	~RSConstructor ()
	Destructor.
void	constructRS (std::vector< RingInfo > &analysed_rings, Size &i)
	constructs a ringsystem, providing the atoms with relative 2D-coordinates, starting in the point of origin

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Detailed Description

class, performing the prefabication of ringsystems (i.e.

providing them with relative 2D-coordinates)

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Member Function Documentation

void BALL::RSConstructor::constructRS	(	std::vector< RingInfo > &	analysed_rings,
		Size &	i
	)

constructs a ringsystem, providing the atoms with relative 2D-coordinates, starting in the point of origin

Parameters:

	analysed_rings	the ringsystem to be constructed
	i	consecutive numbering of the molecule's ringsystems