#include <gcu/atom.h>
Inheritance diagram for gcu::Atom:
Public Member Functions | |
Atom () | |
Atom (int Z, double x, double y, double z=0.) | |
Atom (Atom &a) | |
Atom & | operator= (Atom &a) |
virtual | ~Atom () |
double | Distance (Atom *pAtom) |
void | zoom (double ZoomFactor) |
virtual bool | GetCoords (double *x, double *y, double *z=NULL) |
void | SetCoords (double x, double y, double z=0) |
int | GetZ () |
virtual void | SetZ (int Z) |
void | SetCharge (char Charge) |
char | GetCharge () |
const gchar * | GetSymbol () |
virtual void | AddBond (Bond *pBond) |
virtual void | RemoveBond (Bond *pBond) |
double | x () |
double | y () |
double | z () |
Bond * | GetFirstBond (map< Atom *, Bond * >::iterator &i) |
Bond * | GetNextBond (map< Atom *, Bond * >::iterator &i) |
Bond * | GetBond (Atom *pAtom) |
int | GetBondsNumber () |
virtual xmlNodePtr | Save (xmlDocPtr xml) |
virtual bool | Load (xmlNodePtr node) |
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 | |
int | m_Z |
double | m_x |
double | m_y |
double | m_z |
char | m_Charge |
map< Atom *, Bond * > | m_Bonds |
Definition at line 44 of file atom.h.
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The default constructor. Creates an atom with atomic number set to 0. |
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The destructor of Atom. It removes bonds but do not delete the associated Bond instances. |
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Adds a Bond. |
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Definition at line 177 of file atom.h. References m_Bonds. |
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Definition at line 126 of file atom.h. References m_Charge. |
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Definition at line 109 of file atom.h. References m_Z. |
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Reimplemented from gcu::Object. |
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Reimplemented in gcu::CrystalAtom. |
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Reimplemented from gcu::Object. |
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Removes a Bond. |
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Reimplemented from gcu::Object. |
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Reimplemented in gcu::CrystalAtom. |
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Definition at line 122 of file atom.h. References m_Charge. |
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Reimplemented from gcu::Object. |
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Definition at line 146 of file atom.h. References m_x. |
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Definition at line 150 of file atom.h. References m_y. |
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Definition at line 154 of file atom.h. References m_z. Referenced by SetCoords(). |
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The Bond instances of the Atom. The index of the map is a pointer to the other end of the Bond. Definition at line 245 of file atom.h. Referenced by GetBondsNumber(). |
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The charge of the Atom. Definition at line 241 of file atom.h. Referenced by GetCharge(), and SetCharge(). |
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The x coordinate of the Atom. Definition at line 229 of file atom.h. Referenced by SetCoords(), and x(). |
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The x coordinate of the Atom. Definition at line 233 of file atom.h. Referenced by SetCoords(), and y(). |
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The x coordinate of the Atom. Definition at line 237 of file atom.h. Referenced by SetCoords(), and z(). |
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The atomic number of the Atom. Definition at line 225 of file atom.h. Referenced by GetZ(). |