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00028 #ifndef _rnaml_atom_h_
00029 #define _rnaml_atom_h_
00030
00031 #include "object.h"
00032 #include "xmlcpg.h"
00033
00034
00035
00039 typedef struct rnamlATOM rnamlAtom;
00040
00045 rnamlAtom* rnamlnewAtom ();
00046
00052 rnamlAtom* rnamlcloneAtom (const rnamlAtom *atom);
00053
00058 void rnamldeleteAtom (rnamlAtom *atom);
00059
00065 int rnamlisAtom (const rnamlObject *obj);
00066
00073 int rnamlequalsAtom (const rnamlAtom *left, const rnamlAtom *right);
00074
00081 const char* rnamlgetAtomSerial (const rnamlAtom *atom);
00082
00089 void rnamlsetAtomSerial (rnamlAtom *atom, const char *serial);
00090
00096 const char* rnamlgetAtomAtomType (const rnamlAtom *atom);
00097
00104 void rnamlsetAtomAtomType (rnamlAtom *atom, const char *atomType);
00105
00111 float rnamlgetAtomX (const rnamlAtom *atom);
00112
00119 void rnamlsetAtomX (rnamlAtom *atom, float x);
00120
00126 float rnamlgetAtomY (const rnamlAtom *atom);
00127
00134 void rnamlsetAtomY (rnamlAtom *atom, float y);
00135
00141 float rnamlgetAtomZ (const rnamlAtom *atom);
00142
00149 void rnamlsetAtomZ (rnamlAtom *atom, float z);
00150
00156 float rnamlgetAtomOccupancy (const rnamlAtom *atom);
00157
00164 void rnamlsetAtomOccupancy (rnamlAtom *atom, float occupancy);
00165
00171 float rnamlgetAtomTempFactor (const rnamlAtom *atom);
00172
00179 void rnamlsetAtomTempFactor (rnamlAtom *atom, float tempFactor);
00180
00186 const char* rnamlgetAtomSegId (const rnamlAtom *atom);
00187
00194 void rnamlsetAtomSegId (rnamlAtom *atom, const char *segId);
00195
00201 const char* rnamlgetAtomElement (const rnamlAtom *atom);
00202
00209 void rnamlsetAtomElement (rnamlAtom *atom, const char *element);
00210
00216 const char* rnamlgetAtomCharge (const rnamlAtom *atom);
00217
00224 void rnamlsetAtomCharge (rnamlAtom *atom, const char *charge);
00225
00232 xmlcpgObject* rnamltoXMLAtom (const rnamlAtom *atom);
00233
00234 #endif
00235