00001
00051 #ifndef _VAPBSHAL_H_
00052 #define _VAPBSHAL_H_
00053
00059 enum eVsurf_Meth {
00060 VSM_MOL=0,
00064 VSM_MOLSMOOTH=1,
00066 VSM_SPLINE=2
00076 };
00077
00082 typedef enum eVsurf_Meth Vsurf_Meth;
00083
00088 enum eVhal_PBEType {
00089 PBE_LPBE,
00090 PBE_NPBE,
00091 PBE_LRPBE,
00092 PBE_NRPBE
00093 };
00094
00099 typedef enum eVhal_PBEType Vhal_PBEType;
00100
00101
00107 enum eVbcfl {
00108 BCFL_ZERO=0,
00109 BCFL_SDH=1,
00111 BCFL_MDH=2,
00113 BCFL_UNUSED=3,
00114 BCFL_FOCUS=4
00115 };
00116
00121 typedef enum eVbcfl Vbcfl;
00122
00128 enum eVchrg_Meth {
00129 VCM_TRIL=0,
00132 VCM_BSPL2=1
00135 };
00136
00141 typedef enum eVchrg_Meth Vchrg_Meth;
00142
00143
00149 enum eVdata_Type {
00150 VDT_CHARGE,
00151 VDT_POT,
00152 VDT_SMOL,
00154 VDT_SSPL,
00156 VDT_VDW,
00158 VDT_IVDW,
00160 VDT_LAP,
00161 VDT_EDENS,
00163 VDT_NDENS,
00165 VDT_QDENS,
00167 VDT_DIELX,
00169 VDT_DIELY,
00171 VDT_DIELZ,
00173 VDT_KAPPA
00175 };
00176
00181 typedef enum eVdata_Type Vdata_Type;
00182
00188 enum eVdata_Format {
00189 VDF_DX=0,
00190 VDF_UHBD=1,
00191 VDF_AVS=2
00192 };
00193
00198 typedef enum eVdata_Format Vdata_Format;
00199
00200
00205 #define MAXMOL 5
00206
00211 #define MAXION 10
00212
00216 #define MAXFOCUS 5
00217
00221 #define VMGNLEV 4
00222
00226 #define VREDFRAC 0.25
00227
00232 #define VAPBS_RIGHT 0
00233
00238 #define VAPBS_FRONT 1
00239
00244 #define VAPBS_UP 2
00245
00250 #define VAPBS_LEFT 3
00251
00256 #define VAPBS_BACK 4
00257
00262 #define VAPBS_DOWN 5
00263
00268 #define VPMGSMALL 1e-12
00269
00270
00271 #if defined(VDEBUG)
00272 # if !defined(APBS_NOINLINE)
00273 # define APBS_NOINLINE 1
00274 # endif
00275 #endif
00276
00277 #if !defined(APBS_NOINLINE)
00278
00282 # define VINLINE_VACC
00283
00287 # define VINLINE_VATOM
00288
00292 # define VINLINE_VCSM
00293
00297 # define VINLINE_VPBE
00298
00302 # define VINLINE_VPEE
00303
00307 # define VINLINE_VGREEN
00308
00312 # define VINLINE_VFETK
00313
00317 # define VINLINE_VPMG
00318
00323 # define MAX_HASH_DIM 75
00324
00325 #endif
00326
00327
00328 #if defined(VF77_UPPERCASE)
00329 # if defined(VF77_NOUNDERSCORE)
00330 # define VF77_MANGLE(name,NAME) NAME
00331 # endif
00332 # if defined(VF77_ONEUNDERSCORE)
00333 # define VF77_MANGLE(name,NAME) NAME ## _
00334 # endif
00335 #else
00336 # if defined(VF77_NOUNDERSCORE)
00337 # define VF77_MANGLE(name,NAME) name
00338 # endif
00339 # if defined(VF77_ONEUNDERSCORE)
00340 # define VF77_MANGLE(name,NAME) name ## _
00341 # endif
00342 #endif
00343
00344
00345 #if defined(HAVE_EMBED)
00346
00350 # define VEMBED(rctag) \
00351 VPRIVATE const char* rctag; \
00352 static void* use_rcsid=(0 ? &use_rcsid : (void**)&rcsid);
00353 #else
00354
00358 # define VEMBED(rctag)
00359 #endif
00360
00361 #endif
00362