• Main Page
  • Related Pages
  • Modules
  • Data Structures
  • Files
  • File List
  • Globals

src/generic/apbs/valist.h

Go to the documentation of this file.
00001 
00054 #ifndef _VALIST_H_
00055 #define _VALIST_H_
00056 
00057 /* Generic headers */
00058 #include "maloc/maloc.h"
00059 #include "apbs/vhal.h"
00060 
00061 /* Headers specific to this file */
00062 #include "apbs/vatom.h"
00063 #include "apbs/vparam.h"
00064 
00070 struct sValist { 
00071 
00072   int number;         
00073   double center[3];   
00074   double mincrd[3];   
00075   double maxcrd[3];   
00076   double maxrad;      
00077   double charge;      
00078   Vatom *atoms;       
00079   Vmem *vmem;         
00081 };
00082 
00087 typedef struct sValist Valist;
00088 
00089 #if !defined(VINLINE_VATOM)
00090 
00097 VEXTERNC Vatom* Valist_getAtomList(
00098         Valist *thee 
00099         );
00100 
00106 VEXTERNC double Valist_getCenterX(
00107         Valist *thee 
00108         );
00109 
00115 VEXTERNC double Valist_getCenterY(
00116         Valist *thee 
00117         );
00118 
00124 VEXTERNC double Valist_getCenterZ(
00125         Valist *thee 
00126         );
00127 
00133 VEXTERNC int Valist_getNumberAtoms(
00134         Valist *thee 
00135         );
00136 
00142 VEXTERNC Vatom* Valist_getAtom(
00143         Valist *thee, 
00144         int i 
00145         );
00146 
00152 VEXTERNC unsigned long int Valist_memChk(
00153         Valist *thee 
00154         );
00155 
00156 #else /* if defined(VINLINE_VATOM) */
00157 #   define Valist_getAtomList(thee) ((thee)->atoms)
00158 #   define Valist_getNumberAtoms(thee) ((thee)->number)
00159 #   define Valist_getAtom(thee, i) (&((thee)->atoms[i]))
00160 #   define Valist_memChk(thee) (Vmem_bytes((thee)->vmem))
00161 #   define Valist_getCenterX(thee) ((thee)->center[0])
00162 #   define Valist_getCenterY(thee) ((thee)->center[1])
00163 #   define Valist_getCenterZ(thee) ((thee)->center[2])
00164 #endif /* if !defined(VINLINE_VATOM) */
00165 
00171 VEXTERNC Valist* Valist_ctor();
00172 
00178 VEXTERNC Vrc_Codes Valist_ctor2(
00179         Valist *thee 
00180         );
00181 
00186 VEXTERNC void Valist_dtor(
00187         Valist **thee 
00188         );
00189 
00194 VEXTERNC void Valist_dtor2(
00195         Valist *thee 
00196         );
00197 
00209 VEXTERNC Vrc_Codes Valist_readPQR(
00210         Valist *thee, 
00211   Vparam *param, 
00212         Vio *sock 
00213         );
00214 
00224 VEXTERNC Vrc_Codes Valist_readPDB(
00225         Valist *thee, 
00226         Vparam *param, 
00227         Vio *sock 
00228         );
00229 
00239 VEXTERNC Vrc_Codes Valist_readXML(
00240         Valist *thee, 
00241   Vparam *param, 
00242         Vio *sock 
00243         );
00244 
00251 VEXTERNC Vrc_Codes Valist_getStatistics(Valist *thee);
00252 
00253 
00254 #endif /* ifndef _VALIST_H_ */

Generated on Wed Oct 20 2010 12:01:33 for APBS by  doxygen 1.7.2