RingAnalyser Class Reference

class, providing methods for the analysis of the structure of ringsystems More...

#include <ringAnalyser.h>

List of all members.

Public Types
enum	RingType {   NONE, TEMPLATE, FUSED, BRIDGED,   SPIRO, CORE }
Public Member Functions
	RingAnalyser ()
	Default-Constructor.
virtual	~RingAnalyser ()
	Destructor.
std::vector< RingInfo >	analyseRings (std::vector< std::vector< Atom * > > &ringsystem)
	performs an anylsis of the structure of a ringsystem
bool	isInRing (const Atom *atom, std::vector< Atom * > &ring)
	helper-function; determines, whether an atom is part of a certain ring

---

Detailed Description

class, providing methods for the analysis of the structure of ringsystems

---

Member Function Documentation

std::vector<RingInfo> RingAnalyser::analyseRings (  std::vector< std::vector< Atom * > > &  ringsystem  )

performs an anylsis of the structure of a ringsystem Parameters: ringsystem  the ringsystem Returns: a vector of struct RingInfo, containing information about the way each ring is connected to the ringsystem

bool RingAnalyser::isInRing (  const Atom *  atom, std::vector< Atom * > &  ring )

helper-function; determines, whether an atom is part of a certain ring Parameters: atom  the atom ring  the ring Returns: true, if the atom is part of the ring, otherwise returns false