Main Page | Modules | Alphabetical List | Data Structures | File List | Data Fields | Globals | Related Pages

vhal.h

Go to the documentation of this file.
00001 
00074 #ifndef _VAPBSHAL_H_
00075 #define _VAPBSHAL_H_
00076 
00082 enum eVrc_Codes {
00083         
00084         VRC_WARNING=-1, 
00086         VRC_FAILURE=0,
00087         VRC_SUCCESS=1    
00088 
00089 };
00090 typedef enum eVrc_Codes Vrc_Codes;
00091 
00097 enum eVsurf_Meth {
00098         VSM_MOL=0, 
00102     VSM_MOLSMOOTH=1, 
00104         VSM_SPLINE=2,    
00114         VSM_SPLINE3=3,  
00118         VSM_SPLINE4=4   
00122 };
00123 
00128 typedef enum eVsurf_Meth Vsurf_Meth;
00129 
00134 enum eVhal_PBEType {
00135     PBE_LPBE,  
00136     PBE_NPBE,  
00137     PBE_LRPBE,  
00138     PBE_NRPBE,  
00139         PBE_SMPBE       
00140 };
00141 
00146 typedef enum eVhal_PBEType Vhal_PBEType;
00147 
00152 enum eVhal_IPKEYType {
00153     IPKEY_SMPBE = -2, 
00154         IPKEY_LPBE,  
00155     IPKEY_NPBE 
00156 };
00157 
00162 typedef enum eVhal_IPKEYType Vhal_IPKEYType;
00163 
00168 enum eVhal_NONLINType {
00169     NONLIN_LPBE = 0,
00170         NONLIN_NPBE,  
00171     NONLIN_SMPBE
00172 };
00173 
00178 typedef enum eVhal_NONLINType Vhal_NONLINType;
00179 
00184 enum eVoutput_Format {
00185     OUTPUT_NULL,   
00186     OUTPUT_FLAT, 
00187     OUTPUT_XML   
00188 };
00189 
00194 typedef enum eVoutput_Format Voutput_Format;
00195 
00201 enum eVbcfl {
00202     BCFL_ZERO=0,  
00203     BCFL_SDH=1,  
00205     BCFL_MDH=2,  
00207     BCFL_UNUSED=3,  
00208     BCFL_FOCUS=4  
00209 };
00210 
00215 typedef enum eVbcfl Vbcfl;
00216 
00222 enum eVchrg_Meth {
00223         VCM_TRIL=0,  
00226     VCM_BSPL2=1,  
00229     VCM_BSPL4=2  
00230 };
00231 
00236 typedef enum eVchrg_Meth Vchrg_Meth;
00237 
00243 enum eVchrg_Src {
00244         VCM_CHARGE=0,     
00245         VCM_PERMANENT=1,  
00246     VCM_INDUCED=2,    
00247     VCM_NLINDUCED=3   
00248 };
00249 
00254 typedef enum eVchrg_Src Vchrg_Src;
00255 
00261 enum eVdata_Type {
00262     VDT_CHARGE, 
00263     VDT_POT,    
00264     VDT_SMOL,   
00266     VDT_SSPL,   
00268     VDT_VDW,    
00270     VDT_IVDW,   
00272     VDT_LAP,    
00273     VDT_EDENS,  
00275     VDT_NDENS,  
00277     VDT_QDENS,  
00279     VDT_DIELX,  
00281     VDT_DIELY,  
00283     VDT_DIELZ,  
00285     VDT_KAPPA   
00287 };
00288 
00293 typedef enum eVdata_Type Vdata_Type;
00294 
00300 enum eVdata_Format {
00301     VDF_DX=0,  
00302     VDF_UHBD=1, 
00303     VDF_AVS=2  
00304 };
00305 
00310 typedef enum eVdata_Format Vdata_Format;
00311 
00316 #define APBS_TIMER_WALL_CLOCK 26
00317 
00322 #define APBS_TIMER_SETUP 27
00323 
00328 #define APBS_TIMER_SOLVER 28
00329 
00334 #define APBS_TIMER_ENERGY 29
00335 
00340 #define APBS_TIMER_FORCE 30
00341 
00346 #define APBS_TIMER_TEMP1 31
00347 
00352 #define APBS_TIMER_TEMP2 32
00353 
00358 #define MAXMOL 5
00359 
00364 #define MAXION 10
00365 
00369 #define MAXFOCUS 5
00370 
00374 #define VMGNLEV 4
00375 
00379 #define VREDFRAC 0.25
00380 
00384 #define VAPBS_NVS 4
00385 
00389 #define VAPBS_DIM 3
00390 
00395 #define VAPBS_RIGHT 0
00396 
00401 #define VAPBS_FRONT 1
00402 
00407 #define VAPBS_UP    2
00408 
00413 #define VAPBS_LEFT  3
00414 
00419 #define VAPBS_BACK  4
00420 
00425 #define VAPBS_DOWN  5
00426 
00431 #define VPMGSMALL 1e-12
00432 
00433 
00434 #if defined(VDEBUG)
00435 #   if !defined(APBS_NOINLINE)
00436 #       define APBS_NOINLINE 1
00437 #   endif
00438 #endif
00439 
00440 #if !defined(APBS_NOINLINE)
00441 
00445 #   define VINLINE_VACC
00446 
00450 #   define VINLINE_VATOM
00451 
00455 #   define VINLINE_VCSM
00456 
00460 #   define VINLINE_VPBE
00461 
00465 #   define VINLINE_VPEE
00466 
00470 #   define VINLINE_VGREEN
00471 
00475 #   define VINLINE_VFETK
00476 
00480 #   define VINLINE_VPMG 
00481 
00486 #   define MAX_HASH_DIM 75
00487 
00488 #endif
00489 
00490 /* Fortran name mangling */
00491 #if defined(VF77_UPPERCASE)
00492 #   if defined(VF77_NOUNDERSCORE)
00493 #       define VF77_MANGLE(name,NAME) NAME
00494 #   elif defined(VF77_ONEUNDERSCORE)
00495 #       define VF77_MANGLE(name,NAME) NAME ## _
00496 #   else
00497 #       define VF77_MANGLE(name,NAME) name
00498 #   endif
00499 #else
00500 #   if defined(VF77_NOUNDERSCORE)
00501 #       define VF77_MANGLE(name,NAME) name
00502 #   elif defined(VF77_ONEUNDERSCORE)
00503 #       define VF77_MANGLE(name,NAME) name ## _
00504 #   else
00505 
00508 #       define VF77_MANGLE(name,NAME) name
00509 #   endif
00510 #endif
00511 
00512 /* Floating Point Error */
00513 #if defined(MACHINE_EPS)
00514 #     define VFLOOR(value) \
00515               ((floor(value) != floor(value + MACHINE_EPS)) ? \
00516               floor(value + MACHINE_EPS) : floor(value))
00517 #else
00518 
00523 #     define VFLOOR(value) floor(value)
00524 #endif
00525 
00526 /* String embedding for ident */
00527 #if defined(HAVE_EMBED)
00528 
00532 #    define VEMBED(rctag) \
00533          VPRIVATE const char* rctag; \
00534          static void* use_rcsid=(0 ? &use_rcsid : (void**)&rcsid);
00535 #else
00536 
00540 #    define VEMBED(rctag)
00541 #endif /* if defined(HAVE_EMBED) */
00542 
00543 #endif /* #ifndef _VAPBSHAL_H_ */
00544 

Generated on Thu Jul 12 11:49:46 2007 for APBS by doxygen 1.3.4