#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(). |
1.4.1