The Gnome Chemistry Utils 0.13.3
Public Member Functions
gcp::Bond Class Reference

#include <gcp/bond.h>

Inheritance diagram for gcp::Bond:
gcu::Bond gccv::ItemClient gcu::Object

List of all members.

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 ()

Detailed Description

This class is used to represent bonds.

Definition at line 79 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:
firstthe first bonded atom.
lastthe last bonded atom.
orderthe 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:
pCyclea 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:
xthe x coordinate to adjust
ythe 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.
objectthe atom on which occured the mouse click.
xx coordinate of the mouse click.
yy coordinate of the mouse click.

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

double gcp::Bond::GetAngle2D ( Atom pAtom)
Parameters:
pAtomone 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:
xthe x coordinate
ythe y coordinate
zthe 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:
xthe x coordinate.
ythe 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:
Numthe index of the line representing a, possibly, multiple bond.
x1where to store the first x coordinate.
y1where to store the first y coordinate.
x2where to store the second x coordinate.
y2where 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:
propertythe 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 111 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:
nthe 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:
pBonda 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:
nodea 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:
xthe x component of the transation vector.
ythe y component of the transation vector.
zthe 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:
pCyclea 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:
xmlthe xmlDoc used to save the document.
nodea 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:
propertythe property id as defined in objprops.h
valuethe 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:
statethe 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:
typethe new bond type.

Sets the bond type.

void gcp::Bond::Transform2D ( gcu::Matrix2D m,
double  x,
double  y 
) [virtual]
Parameters:
mthe Matrix2D of the transformation.
xthe x component of the center of the transformation.
ythe 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: