#include <gcu/cycle.h>
Public Member Functions | |
Cycle (Molecule *molecule) | |
virtual | ~Cycle () |
void | Simplify () |
virtual void | Erase (Atom *pAtom1, Atom *pAtom2) |
virtual void | Insert (Atom *pAtom1, Atom *pAtom2, Chain &chain) |
bool | IsBetterForBonds (Cycle *pCycle) |
void | GetAngles2D (Bond *pBond, double *a1, double *a2) |
int | GetFusedBonds () |
std::string | Name () |
Definition at line 36 of file cycle.h.
gcu::Cycle::Cycle | ( | Molecule * | molecule | ) |
molecule | a molecule. |
virtual gcu::Cycle::~Cycle | ( | ) | [virtual] |
The destructor.
pAtom1 | an atom in the source chain. | |
pAtom2 | an atom in the source chain. |
Reimplemented from gcu::Chain.
void gcu::Cycle::GetAngles2D | ( | Bond * | pBond, | |
double * | a1, | |||
double * | a2 | |||
) |
pBond | a bond of the cycle. | |
a1 | where to put the result for the first angle. | |
a2 | where to put the result for the first angle. |
int gcu::Cycle::GetFusedBonds | ( | ) |
pAtom1 | an atom in the source chain. | |
pAtom2 | an atom in the source chain. | |
chain | the source chain. |
Reimplemented from gcu::Chain.
bool gcu::Cycle::IsBetterForBonds | ( | Cycle * | pCycle | ) |
pCycle | another cycle sharing a bond. |
std::string gcu::Cycle::Name | ( | ) | [virtual] |
void gcu::Cycle::Simplify | ( | ) |
Finds the smallest cycles collection in a polycyclic system.