gcu::Cycle Class Reference

#include <gcu/cycle.h>

Inheritance diagram for gcu::Cycle:

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 ()
Public Member Functions inherited from gcu::Chain
	Chain (Bond *pBond, Atom *pAtom=NULL, TypeId Type=ChainType)
	Chain (Molecule *molecule, Bond *pBond, TypeId Type=ChainType)
	Chain (Molecule *molecule, Atom *pAtom, TypeId Type=ChainType)
virtual	~Chain ()
void	FindCycles (Atom *pAtom)
bool	FindCycle (Atom *pAtom, Bond *pBond)
void	Extract (Atom *pAtom1, Atom *pAtom2, Chain &chain)
void	Reverse ()
void	AddBond (Atom *start, Atom *end)
unsigned	GetUnsaturations ()
unsigned	GetHeteroatoms ()
bool	Contains (Atom *pAtom)
bool	Contains (Bond *pBond)
unsigned	GetLength ()
double	GetMeanBondLength ()
Atom *	GetNextAtom (Atom *pAtom)
unsigned	BuildLength (unsigned *cycle_size=NULL, unsigned *cycle_pos=NULL)
Public Member Functions inherited from gcu::Object
	Object (TypeId Id=OtherType)
virtual	~Object ()
TypeId	GetType () const
void	SetId (gchar const *Id)
char const *	GetId () const
virtual void	AddChild (Object *object)
Object *	GetMolecule () const
Object *	GetReaction () const
Object *	GetGroup () const
Document *	GetDocument () const
Application *	GetApplication () const
Object *	GetParentOfType (TypeId Id) const
Object *	GetChild (const gchar *Id) const
Object *	GetFirstChild (std::map< std::string, Object * >::iterator &i)
Object *	GetNextChild (std::map< std::string, Object * >::iterator &i)
Object *	GetDescendant (const char *Id) const
Object *	GetParent () const
void	SetParent (Object *Parent)
virtual xmlNodePtr	Save (xmlDocPtr xml) const
virtual bool	Load (xmlNodePtr node)
virtual bool	GetCoords (double *x, double *y, double *z=NULL) const
virtual void	Move (double x, double y, double z=0.)
virtual void	Transform2D (Matrix2D &m, double x, double y)
bool	SaveChildren (xmlDocPtr xml, xmlNodePtr node) const
void	SaveId (xmlNodePtr node) const
xmlNodePtr	GetNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
xmlNodePtr	GetNextNodeByProp (xmlNodePtr node, char const *Property, char const *Id)
xmlNodePtr	GetNodeByName (xmlNodePtr node, char const *Name)
xmlNodePtr	GetNextNodeByName (xmlNodePtr node, char const *Name)
bool	HasChildren () const
unsigned	GetChildrenNumber () const
virtual Object *	GetAtomAt (double x, double y, double z=0.)
virtual bool	Build (std::set< Object * > const &Children) throw (std::invalid_argument)
virtual double	GetYAlign ()
virtual bool	BuildContextualMenu (UIManager *uim, Object *object, double x, double y)
void	EmitSignal (SignalId Signal)
virtual bool	OnSignal (SignalId Signal, Object *Child)
void	Lock (bool state=true)
bool	IsLocked ()
Object *	GetFirstLink (std::set< Object * >::iterator &i)
Object *	GetNextLink (std::set< Object * >::iterator &i)
void	Link (Object *object)
void	Unlink (Object *object)
virtual void	OnUnlink (Object *object)
void	GetPossibleAncestorTypes (std::set< TypeId > &types) const
virtual bool	SetProperty (unsigned property, char const *value)
virtual std::string	GetProperty (unsigned property) const
virtual void	OnLoaded ()
void	SetDirty (bool dirty=true)
virtual void	Clear ()
std::string	Identity ()
virtual char const *	HasPropertiesDialog () const
virtual bool	CanSelect () const
virtual void	NotifyEmpty ()
void	ShowPropertiesDialog ()
bool	GetDirty (void) const

Additional Inherited Members
Static Public Member Functions inherited from gcu::Object
static TypeId	AddType (std::string TypeName, Object *(*CreateFunc)(), TypeId id=OtherType)
static void	AddAlias (TypeId id, std::string TypeName)
static Object *	CreateObject (const std::string &TypeName, Object *parent=NULL)
static TypeId	GetTypeId (const std::string &Name)
static std::string	GetTypeName (TypeId Id)
static void	AddMenuCallback (TypeId Id, BuildMenuCb cb)
static void	AddRule (TypeId type1, RuleId rule, TypeId type2)
static void	AddRule (const std::string &type1, RuleId rule, const std::string &type2)
static const std::set< TypeId > &	GetRules (TypeId type, RuleId rule)
static const std::set< TypeId > &	GetRules (const std::string &type, RuleId rule)
static void	SetCreationLabel (TypeId Id, std::string Label)
static const std::string &	GetCreationLabel (TypeId Id)
static const std::string &	GetCreationLabel (const std::string &TypeName)
static SignalId	CreateNewSignalId ()
Protected Member Functions inherited from gcu::Object
virtual Dialog *	BuildPropertiesDialog ()
Protected Attributes inherited from gcu::Chain
std::map< Atom *, ChainElt >	m_Bonds
Molecule *	m_Molecule

Detailed Description

Represents a cycle.

Definition at line 36 of file cycle.h.

Constructor & Destructor Documentation

gcu::Cycle::Cycle

(

Molecule *

molecule

)

Parameters

molecule

a molecule.

Constructs an initially empty cycle for the molecule.

virtual gcu::Cycle::~Cycle ( )

virtual

The destructor.

Member Function Documentation

virtual void gcu::Cycle::Erase ( Atom *  pAtom1, Atom *  pAtom2  )

virtual

Parameters

pAtom1	an atom in the source chain.
pAtom2	an atom in the source chain.

Erases a sub-chain. The result is not a cycle. This should be followed by the insertion of a new chain to close the cycle again.

Reimplemented from gcu::Chain.

void gcu::Cycle::GetAngles2D	(	Bond *	pBond,
		double *	a1,
		double *	a2
	)

Parameters

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.

Evaluates the angles between the bond and its two adjacent bonds in the cycle.

int gcu::Cycle::GetFusedBonds

(

)

Returns

the number of bonds shared with other cycles.

virtual void gcu::Cycle::Insert ( Atom *  pAtom1, Atom *  pAtom2, Chain &  chain  )

virtual

Parameters

pAtom1	an atom in the source chain.
pAtom2	an atom in the source chain.
chain	the source chain.

Inserts a chain. Bothe atoms must already be in the target cycle and the insertion should close the cycle.

Reimplemented from gcu::Chain.

bool gcu::Cycle::IsBetterForBonds

(

Cycle *

pCycle

)

Parameters

pCycle

another cycle sharing a bond.

Compares two cycles in competition to know which is the best to contain the second line of a shared double bond.

Returns

true if the this instance is to be preferred, false otherwise.

std::string gcu::Cycle::Name ( )

virtual

Returns

the localized object generic name.

Reimplemented from gcu::Chain.

void gcu::Cycle::Simplify

(

)

Finds the smallest cycles collection in a polycyclic system.

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The documentation for this class was generated from the following file:

• cycle.h