The Gnome Chemistry Utils 0.13.3
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#include <gcp/bond.h>
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 () |
This class is used to represent bonds.
Definition at line 79 of file gcp/bond.h.
gcp::Bond::Bond | ( | ) |
The default constructor.
Reimplemented from gcu::Bond.
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.
void gcp::Bond::AddCycle | ( | gcu::Cycle * | pCycle | ) | [virtual] |
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 | ||
) |
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 | ||
) |
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 atom.
double gcp::Bond::GetAngle2D | ( | Atom * | pAtom | ) |
pAtom | one of the bonded atoms |
Object* gcp::Bond::GetAtomAt | ( | double | x, |
double | y, | ||
double | z = 0. |
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) | [virtual] |
x | the x coordinate |
y | the y coordinate |
z | the z coordinate |
Reimplemented from gcu::Object.
double gcp::Bond::GetDist | ( | double | x, |
double | y | ||
) |
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.
bool gcp::Bond::GetLine2DCoords | ( | unsigned | Num, |
double * | x1, | ||
double * | y1, | ||
double * | x2, | ||
double * | y2 | ||
) |
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.
std::string gcp::Bond::GetProperty | ( | unsigned | property | ) | const [virtual] |
property | the identity of the property as defined in objprops.h. |
Used by the gcu::Loader mechanism to retrieve properties of bonds.
Reimplemented from gcu::Bond.
BondType gcp::Bond::GetType | ( | void | ) | const [inline] |
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.
Reimplemented from gcu::Object.
void gcp::Bond::IncOrder | ( | int | n = 1 | ) | [virtual] |
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 | ) |
pBond | a bond which might cross. |
The lines representing two bonds might cross. This method detects this condition.
bool gcp::Bond::LoadNode | ( | xmlNodePtr | node | ) | [virtual] |
void gcp::Bond::Move | ( | double | x, |
double | y, | ||
double | z = 0 |
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) | [virtual] |
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] |
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] |
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] |
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.
Reimplemented from gcu::Bond.
void gcp::Bond::SetSelected | ( | int | state | ) | [virtual] |
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 | ) |
type | the new bond type. |
Sets the bond type.
void gcp::Bond::Transform2D | ( | gcu::Matrix2D & | m, |
double | x, | ||
double | y | ||
) | [virtual] |
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.