#include <gcu/bond.h>
Inheritance diagram for gcu::Bond:
Public Member Functions | |
Bond () | |
Bond (Atom *first, Atom *last, unsigned char order) | |
virtual | ~Bond () |
virtual Atom * | GetAtom (int which) |
virtual Atom * | GetAtom (Atom *pAtom, int which=0) |
unsigned char | GetOrder () |
void | SetOrder (unsigned char Order) |
virtual xmlNodePtr | Save (xmlDocPtr xml) |
virtual bool | Load (xmlNodePtr node) |
virtual void | IncOrder (int n=1) |
virtual bool | LoadNode (xmlNodePtr node) |
virtual bool | SaveNode (xmlDocPtr xml, xmlNodePtr node) |
virtual void | Move (double x, double y, double z=0.) |
virtual void | Transform2D (Matrix2D &m, double x, double y) |
Protected Attributes | |
unsigned char | m_order |
Atom * | m_Begin |
Atom * | m_End |
Definition at line 42 of file bond.h.
gcu::Bond::Bond | ( | ) |
The default constructor. Creates a bond with order set to 0.
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. |
virtual gcu::Bond::~Bond | ( | ) | [virtual] |
The destructor of Bond.
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. |
virtual Atom* gcu::Bond::GetAtom | ( | int | which | ) | [virtual] |
unsigned char gcu::Bond::GetOrder | ( | ) |
virtual void gcu::Bond::IncOrder | ( | int | n = 1 |
) | [virtual] |
n,: | the increment to add to the bond order |
virtual bool gcu::Bond::Load | ( | xmlNodePtr | node | ) | [virtual] |
node,: | a pointer to the xmlNode containing the serialized Bond. |
Reimplemented from gcu::Object.
Reimplemented in gcu::CrystalBond.
virtual bool gcu::Bond::LoadNode | ( | xmlNodePtr | node | ) | [virtual] |
node,: | a pointer to the xmlNode containing the serialized Bond. |
virtual void gcu::Bond::Move | ( | double | x, | |
double | y, | |||
double | z = 0. | |||
) | [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. |
Reimplemented from gcu::Object.
Reimplemented in gcu::CrystalBond.
virtual xmlNodePtr gcu::Bond::Save | ( | xmlDocPtr | xml | ) | [virtual] |
xml,: | the xmlDoc used to save the document. |
Reimplemented from gcu::Object.
Reimplemented in gcu::CrystalBond.
virtual bool gcu::Bond::SaveNode | ( | xmlDocPtr | xml, | |
xmlNodePtr | node | |||
) | [virtual] |
xml,: | the xmlDoc used to save the document. | |
node,: | a pointer to the xmlNode to which this Bond is serialized. |
void gcu::Bond::SetOrder | ( | unsigned char | Order | ) |
Order,: | the new bond order. |
virtual void gcu::Bond::Transform2D | ( | Matrix2D & | m, | |
double | x, | |||
double | y | |||
) | [virtual] |
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. |
Reimplemented from gcu::Object.
Atom* gcu::Bond::m_Begin [protected] |
Atom* gcu::Bond::m_End [protected] |
unsigned char gcu::Bond::m_order [protected] |