gcu::Bond Class Reference
#include <gcu/bond.h>
List of all members.
Detailed Description
This class is used to represent bonds.
Definition at line 42 of file bond.h.
Constructor & Destructor Documentation
The default constructor. Creates a bond with order set to 0.
gcu::Bond::Bond |
( |
Atom * |
first, |
|
|
Atom * |
last, |
|
|
unsigned char |
order | |
|
) |
| | |
- Parameters:
-
| first,: | a pointer to the first Atom instance of the bond. |
| last,: | a pointer to the last Atom instance of the bond. |
| order,: | the order of the new bond. |
The distinction between first and last is important mostly for stereobonds. The
Bond instance is created and adds itself to the two atoms calling
Atom::AddBond.
virtual gcu::Bond::~Bond |
( |
|
) |
[virtual] |
Member Function Documentation
virtual Atom* gcu::Bond::GetAtom |
( |
int |
which |
) |
[virtual] |
- Parameters:
-
| which,: | the index of the Atom instance to be returned. |
- Returns:
- a pointer to the Atom instance: first Atom if which is 0, last if which is 1 or NULL.
virtual Atom* gcu::Bond::GetAtom |
( |
Atom * |
pAtom, |
|
|
int |
which = 0 | |
|
) |
| | [virtual] |
- Parameters:
-
| pAtom,: | a pointer to an Atom instance. |
| which,: | an index which might be used for multicentered bonds (not supported); the default value should always be used even if the implementation does not use it in this version. |
- Returns:
- the last atom if pAtom is the first, the first if pAtom is the last or NULL if pAtom is not concerned by this Bond.
unsigned char gcu::Bond::GetOrder |
( |
|
) |
|
void gcu::Bond::SetOrder |
( |
unsigned char |
Order |
) |
|
- Parameters:
-
| Order,: | the new bond order. |
The value used is not checked. Should be a significant value (1 to 3, exceptionally 4).
virtual xmlNodePtr gcu::Bond::Save |
( |
xmlDocPtr |
xml |
) |
[virtual] |
- Parameters:
-
| xml,: | the xmlDoc used to save the document. |
- Returns:
- a pointer to the xmlNode representing this Bond or NULL if an error occured.
Reimplemented from gcu::Object.
virtual bool gcu::Bond::Load |
( |
xmlNodePtr |
node |
) |
[virtual] |
- Parameters:
-
| node,: | a pointer to the xmlNode containing the serialized Bond. |
Loads a bond from an xmlNode.
Reimplemented from gcu::Object.
virtual void gcu::Bond::IncOrder |
( |
int |
n = 1 |
) |
[virtual] |
- Parameters:
-
| n,: | the increment to add to the bond order |
If the resulting bond order is greater than 4, the remainder of the division by 4 is retained.
virtual bool gcu::Bond::LoadNode |
( |
xmlNodePtr |
node |
) |
[virtual] |
- Parameters:
-
| node,: | a pointer to the xmlNode containing the serialized Bond. |
This virtual method is called at the end of the
Bond::Load method. The default behavior is to do nothing. It might be overrided for derived class when it is not convenient to override the
Bond::Load method.
virtual bool gcu::Bond::SaveNode |
( |
xmlDocPtr |
xml, |
|
|
xmlNodePtr |
node | |
|
) |
| | [virtual] |
- Parameters:
-
| xml,: | the xmlDoc used to save the document. |
| node,: | a pointer to the xmlNode to which this Bond is serialized. |
This virtual method is called at the end of the
Bond::Save method. The default behavior is to do nothing. It might be overrided for derived class when it is not convenient to override the
Bond::Save method.
virtual void gcu::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. |
Does nothing. Just a slight optimization to avoid execution of
Object::Move
Reimplemented from gcu::Object.
virtual void gcu::Bond::Transform2D |
( |
Matrix2D & |
m, |
|
|
double |
x, |
|
|
double |
y | |
|
) |
| | [virtual] |
- Parameters:
-
| m,: | the 2D Matrix of the transformation. |
| x,: | the x component of the center of the transformation. |
| y,: | the y component of the center of the transformation. |
Does nothing. Just a slight optimization to avoid execution of
Object::Transform2D
Reimplemented from gcu::Object.
Member Data Documentation
The order of the bond.
Definition at line 140 of file bond.h.
A pointer to the first Atom instance of the Bond.
Definition at line 144 of file bond.h.
A pointer to the last Atom instance of the Bond.
Definition at line 148 of file bond.h.
The documentation for this class was generated from the following file: