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RSConstructor Class Reference

class, performing the prefabication of ringsystems (i.e. providing them with relative 2D-coordinates) 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

Detailed Description

class, performing the prefabication of ringsystems (i.e. providing them with relative 2D-coordinates)

Member Function Documentation

void 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