#include <gcp/bond.h>

Inheritance diagram for gcp::Bond:

Public Member Functions
	Bond ()
	Bond (Atom first, Atom last, unsigned char order)
virtual	~Bond ()
Object *	GetAtomAt (double x, double y, double z=0.)
BondType	GetType () const
void	SetType (BondType type)
double	GetAngle2D (Atom *pAtom)
void	AddCycle (gcu::Cycle *pCycle)
void	RemoveCycle (gcu::Cycle *pCycle)
void	RemoveAllCycles ()
bool	GetLine2DCoords (unsigned Num, double x1, double y1, double x2, double y2)
virtual bool	SaveNode (xmlDocPtr xml, xmlNodePtr node) const
bool	LoadNode (xmlNodePtr node)
void	Move (double x, double y, double z=0)
void	Transform2D (gcu::Matrix2D &m, double x, double y)
double	GetDist (double x, double y)
void	SetDirty ()
void	Revert ()
void	IncOrder (int n=1)
void	AddItem ()
void	UpdateItem ()
void	SetSelected (int state)
double	GetYAlign ()
bool	IsCrossing (Bond *pBond)
bool	BuildContextualMenu (gcu::UIManager UIManager, Object object, double x, double y)
void	MoveToBack ()
void	BringToFront ()
std::string	GetProperty (unsigned property) const
bool	SetProperty (unsigned property, char const *value)
void	AdjustPosition (double &x, double &y)
void	OnLoaded ()
Public Member Functions inherited from gcu::Bond
	Bond (Atom first, Atom last, unsigned char order)
virtual Atom *	GetAtom (int which) const
virtual Atom *	GetAtom (Atom *pAtom, int which=0) const
virtual Atom const *	GetAtom (Atom const *pAtom, int which=0) const
unsigned char	GetOrder () const
void	SetOrder (unsigned char Order)
virtual xmlNodePtr	Save (xmlDocPtr xml) const
virtual bool	Load (xmlNodePtr node)
unsigned	IsCyclic ()
Cycle *	GetFirstCycle (std::list< Cycle * >::iterator &i, Cycle *pCycle)
Cycle *	GetNextCycle (std::list< Cycle * >::iterator &i, Cycle *pCycle)
bool	IsInCycle (Cycle *pCycle)
double	Get2DLength ()
double	GetAngle2DRad (Atom *pAtom)
bool	ReplaceAtom (Atom oldAtom, Atom newAtom)
std::string	Name ()
Public Member Functions inherited from gcu::Object
	Object (TypeId Id=OtherType)
virtual	~Object ()
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 bool	GetCoords (double x, double y, double *z=NULL) const
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 bool	Build (std::set< Object * > const &Children) throw (std::invalid_argument)
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
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
Public Member Functions inherited from gccv::ItemClient
	ItemClient ()
virtual	~ItemClient ()
Item *	GetItem (void)

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::Bond
unsigned char	m_order
Atom *	m_Begin
Atom *	m_End
std::list< Cycle * >	m_Cycles
Protected Attributes inherited from gccv::ItemClient
Item *	m_Item

Detailed Description

This class is used to represent bonds.

Definition at line 81 of file gcp/bond.h.

Constructor & Destructor Documentation

gcp::Bond::Bond ( )

The default constructor.

Reimplemented from gcu::Bond.

gcp::Bond::Bond	(	Atom *	first,
		Atom *	last,
		unsigned char	order
	)

Parameters

first	the first bonded atom.
last	the last bonded atom.
order	the bond order

Constructs a bond given its two terminal atoms and its order.

virtual gcp::Bond::~Bond ( )

virtual

The destructor.

Reimplemented from gcu::Bond.

Member Function Documentation

void gcp::Bond::AddCycle ( gcu::Cycle * pCycle )

virtual

Parameters

pCycle a cycle containing the bond.

Notifies the bond it is in the cycle.

Reimplemented from gcu::Bond.

void gcp::Bond::AddItem ( )

virtual

Used to add a representation of the bond in the view.

Reimplemented from gccv::ItemClient.

void gcp::Bond::AdjustPosition	(	double &	x,
		double &	y
	)

Parameters

x	the x coordinate to adjust
y	the y coordinate to adjust

On entering coordinates are considered relative to the bond axis. This method adjust them so that they are put farer from the bond taking line width or multiple bonds line into account.

void gcp::Bond::BringToFront ( )

Brings the bond to front. It has an effect only for crossing bonds.

bool gcp::Bond::BuildContextualMenu	(	gcu::UIManager *	UIManager,
		Object *	object,
		double	x,
		double	y
	)

Parameters

UIManager,:	the gcu::UIManager to populate.
object	the atom on which occured the mouse click.
x	x coordinate of the mouse click.
y	y coordinate of the mouse click.

This method is called to build a contextual menu for the bond.

double gcp::Bond::GetAngle2D ( Atom * pAtom )

Parameters

pAtom one of the bonded atoms

Returns: the angle (0 to 306°) that the bond makes from the horizontal when starting from pAtom.

Object* gcp::Bond::GetAtomAt	(	double	x,
		double	y,
		double	z = `0.`
	)

virtual

Parameters

x	the x coordinate
y	the y coordinate
z	the z coordinate

Returns: a pointer to a bonded atom at or near position defined by the coordinates passed as parameters.

Reimplemented from gcu::Object.

double gcp::Bond::GetDist	(	double	x,
		double	y
	)

Parameters

x	the x coordinate.
y	the x coordinate.

Evaluates the distance from the point with coordinates x and y to the bond. The line segment joining the two atoms is used whatever the type and the order of the bond.

Returns: the calculated distance in pm.

bool gcp::Bond::GetLine2DCoords	(	unsigned	Num,
		double *	x1,
		double *	y1,
		double *	x2,
		double *	y2
	)

Parameters

Num	the index of the line representing a, possibly, multiple bond.
x1	where to store the first x coordinate.
y1	where to store the first y coordinate.
x2	where to store the second x coordinate.
y2	where to store the second y coordinate.

Retrievers the coordinates of one of the lines representing the bond. Num must be lower than the bond order to succeed.

Returns: true on success, false otherwise.

std::string gcp::Bond::GetProperty ( unsigned property ) const

virtual

Parameters

property the identity of the property as defined in objprops.h.

Used by the gcu::Loader mechanism to retrieve properties of bonds.

Returns: the value of the property as a string.

Reimplemented from gcu::Bond.

BondType gcp::Bond::GetType ( void ) const

inline

Returns: the type of the bond.

Reimplemented from gcu::Object.

Definition at line 113 of file gcp/bond.h.

double gcp::Bond::GetYAlign ( )

virtual

Used to retrieve the y coordinate for alignment.

Returns: y coordinate of the bond center.

Reimplemented from gcu::Object.

void gcp::Bond::IncOrder ( int n = 1 )

virtual

Parameters

n	the bond order increment. If not given, the default is 1.

Tries to increment the bond order by n units. If something goes wrong, the bond order is set to 1.

Reimplemented from gcu::Bond.

bool gcp::Bond::IsCrossing ( Bond * pBond )

Parameters

pBond a bond which might cross.

The lines representing two bonds might cross. This method detects this condition.

Returns: true if bonds cross, false otherwise.

bool gcp::Bond::LoadNode ( xmlNodePtr node )

virtual

Parameters

node	a pointer to the xmlNode containing the serialized Bond.

Loads properties specific to GChemPaint bonds.

Reimplemented from gcu::Bond.

void gcp::Bond::Move	(	double	x,
		double	y,
		double	z = `0`
	)

virtual

Parameters

x	the x component of the transation vector.
y	the y component of the transation vector.
z	the z component of the transation vector.

Used to move a bond. Just tells the bond it has been moved and that it's coordinates need to be reevaluated from the new atomic positions.

Reimplemented from gcu::Bond.

void gcp::Bond::MoveToBack ( )

Move the bond to the lowest position. It has an effect only for crossing bonds.

void gcp::Bond::OnLoaded ( )

virtual

This method should be called when a bond has been fully loaded.

Reimplemented from gcu::Bond.

void gcp::Bond::RemoveAllCycles ( )

virtual

Clears the list of the cycles containing the bond.

Reimplemented from gcu::Bond.

void gcp::Bond::RemoveCycle ( gcu::Cycle * pCycle )

virtual

Parameters

pCycle a cycle.

Notifies the bond that it is not anymore in the cycle.

Reimplemented from gcu::Bond.

void gcp::Bond::Revert ( )

Exchanges the start and end atoms.

virtual bool gcp::Bond::SaveNode	(	xmlDocPtr	xml,
		xmlNodePtr	node
	)		const

virtual

Parameters

xml	the xmlDoc used to save the document.
node	a pointer to the xmlNode to which this Bond is serialized.

Saves the GChemPaint Bond class specific properties, such as the bond type (see gcp::BondType for more information).

Reimplemented from gcu::Bond.

void gcp::Bond::SetDirty ( )

Tells that the bond has changed, and that the items representing it should be updated accordingly.

bool gcp::Bond::SetProperty	(	unsigned	property,
		char const *	value
	)

virtual

Parameters

property	the property id as defined in objprops.h
value	the property value as a string

Used when loading to set properties for the bond. This method supports GCU_PROP_BOND_TYPE and calls gcu::Bond::SetProperty() for other properties.

Returns: true if the property could be set, or if the property is not relevant, false otherwise.

Reimplemented from gcu::Bond.

void gcp::Bond::SetSelected ( int state )

virtual

Parameters

state the selection state of the bond.

Used to set the selection state of the bond inside the widget. The values of state might be gcp::SelStateUnselected, gcp::SelStateSelected, gcp::SelStateUpdating, or gcp::SelStateErasing.

Reimplemented from gccv::ItemClient.

void gcp::Bond::SetType ( BondType type )

Parameters

type	the new bond type.

Sets the bond type.

void gcp::Bond::Transform2D	(	gcu::Matrix2D &	m,
		double	x,
		double	y
	)

virtual

Parameters

m	the Matrix2D of the transformation.
x	the x component of the center of the transformation.
y	the y component of the center of the transformation.

Used to move and/or transform a bond. Just tells the bond it has been moved and /or rotated and that it's coordinates need to be reevaluated from the new atomic positions.

Reimplemented from gcu::Bond.

void gcp::Bond::UpdateItem ( )

virtual

Used to update the representation of the bond in the view.

Reimplemented from gccv::ItemClient.

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

gcp/bond.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation