| 1 |
< |
#define OOPSE_VERSION_MAJOR 2 |
| 1 |
> |
#define OOPSE_VERSION_MAJOR 4 |
| 2 |
|
#define OOPSE_VERSION_MINOR 0 |
| 3 |
|
#define OOPSE_VERSION_TINY 0 |
| 4 |
+ |
/* The version of Open Babel */ |
| 5 |
+ |
#define BABEL_VERSION "2.0.0rc1" |
| 6 |
+ |
#define MK_STR(s) # s |
| 7 |
+ |
#define STR_DEFINE(t, s) t = MK_STR(s) |
| 8 |
+ |
/* The file extension used for shared modules */ |
| 9 |
+ |
#undef MODULE_EXTENSION |
| 10 |
|
|
| 11 |
+ |
/* Is defined if OOPSE should be compiled with single precision arithmetic. */ |
| 12 |
+ |
#undef SINGLE_PRECISION |
| 13 |
+ |
|
| 14 |
+ |
/* The CGAL version number. */ |
| 15 |
+ |
#undef CGAL_VERSION |
| 16 |
+ |
|
| 17 |
+ |
/* Define to dummy `main' function (if any) required to link to the Fortran |
| 18 |
+ |
libraries. */ |
| 19 |
+ |
#undef FC_DUMMY_MAIN |
| 20 |
+ |
|
| 21 |
+ |
/* Define if F77 and FC dummy `main' functions are identical. */ |
| 22 |
+ |
#undef FC_DUMMY_MAIN_EQ_F77 |
| 23 |
+ |
|
| 24 |
|
/* Define to a macro mangling the given C identifier (in lower and upper |
| 25 |
< |
* case), which must not contain underscores, for linking with Fortran. */ |
| 26 |
< |
#undef F90_FUNC |
| 25 |
> |
case), which must not contain underscores, for linking with Fortran. */ |
| 26 |
> |
#undef FC_FUNC |
| 27 |
|
|
| 28 |
< |
/* As F90_FUNC, but for C identifiers containing underscores. */ |
| 29 |
< |
#undef F90_FUNC_ |
| 28 |
> |
/* As FC_FUNC, but for C identifiers containing underscores. */ |
| 29 |
> |
#undef FC_FUNC_ |
| 30 |
|
|
| 31 |
< |
/* Define to 1 if you find the <mpi.h> header file. */ |
| 32 |
< |
#undef HAVE_MPI_H |
| 31 |
> |
/* define if fstream::open() accepts third parameter. */ |
| 32 |
> |
#undef FSTREAM_OPEN_PROT |
| 33 |
|
|
| 34 |
< |
/* Define to 1 if you find the <mpif.h> header file. */ |
| 35 |
< |
#undef HAVE_MPIF_H |
| 34 |
> |
/* Is defined if the CGAL library is available. */ |
| 35 |
> |
#undef HAVE_CGAL |
| 36 |
|
|
| 37 |
< |
/* Define to 1 if you find the <getopt.h> header file. */ |
| 37 |
> |
/* Define to 1 if the system has the type `clock_t'. */ |
| 38 |
> |
#undef HAVE_CLOCK_T |
| 39 |
> |
|
| 40 |
> |
/* Define to 1 if you have the <cmath> header file. */ |
| 41 |
> |
#undef HAVE_CMATH |
| 42 |
> |
|
| 43 |
> |
/* Define to 1 if you have the <conio.h> header file. */ |
| 44 |
> |
#undef HAVE_CONIO_H |
| 45 |
> |
|
| 46 |
> |
/* Define to 1 if you have the <ctype.h> header file. */ |
| 47 |
> |
#undef HAVE_CTYPE_H |
| 48 |
> |
|
| 49 |
> |
/* Define to 1 if you have the <dlfcn.h> header file. */ |
| 50 |
> |
#undef HAVE_DLFCN_H |
| 51 |
> |
|
| 52 |
> |
/* define if fftw3.h exists */ |
| 53 |
> |
#undef HAVE_FFTW3_H |
| 54 |
> |
|
| 55 |
> |
/* define if fftw.h exists */ |
| 56 |
> |
#undef HAVE_FFTW_H |
| 57 |
> |
|
| 58 |
> |
/* define if dfftw.h exists */ |
| 59 |
> |
#undef HAVE_DFFTW_H |
| 60 |
> |
|
| 61 |
> |
/* Define to 1 if you have the `floor' function. */ |
| 62 |
> |
#undef HAVE_FLOOR |
| 63 |
> |
|
| 64 |
> |
/* Define to 1 if you have the <fstream> header file. */ |
| 65 |
> |
#undef HAVE_FSTREAM |
| 66 |
> |
|
| 67 |
> |
/* define if we have fstream::attach(). */ |
| 68 |
> |
#undef HAVE_FSTREAM_ATTACH |
| 69 |
> |
|
| 70 |
> |
/* Define to 1 if you have the <fstream.h> header file. */ |
| 71 |
> |
#undef HAVE_FSTREAM_H |
| 72 |
> |
|
| 73 |
> |
/* define if we have fstream::open(). */ |
| 74 |
> |
#undef HAVE_FSTREAM_OPEN |
| 75 |
> |
|
| 76 |
> |
/* Define to 1 if you have the <getopt.h> header file. */ |
| 77 |
|
#undef HAVE_GETOPT_H |
| 78 |
+ |
|
| 79 |
+ |
/* Define to 1 if you have the `getopt_long' function. */ |
| 80 |
|
#undef HAVE_GETOPT_LONG |
| 81 |
|
|
| 82 |
< |
/* Define to 1 if you find the <unistd.h> header file. */ |
| 83 |
< |
#undef HAVE_UNISTD_H |
| 82 |
> |
/* Define to 1 if you have the `getpagesize' function. */ |
| 83 |
> |
#undef HAVE_GETPAGESIZE |
| 84 |
|
|
| 85 |
< |
/* Define to 1 if you find the <sys/pstat.h> header file. */ |
| 86 |
< |
#undef HAVE_SYS_PSTAT_H |
| 85 |
> |
/* Define to 1 if you have the `getsysinfo' function. */ |
| 86 |
> |
#undef HAVE_GETSYSINFO |
| 87 |
|
|
| 88 |
< |
/* Define to 1 if you find the <sys/sysmp.h> header file. */ |
| 89 |
< |
#undef HAVE_SYS_SYSMP_H |
| 88 |
> |
/* Define to 1 if you have the `gettimeofday' function. */ |
| 89 |
> |
#undef HAVE_GETTIMEOFDAY |
| 90 |
|
|
| 91 |
< |
/* Define to 1 if you find the <sys/sysinfo.h> header file. */ |
| 92 |
< |
#undef HAVE_SYS_SYSINFO_H |
| 91 |
> |
/* Define to 1 if you have the <inttypes.h> header file. */ |
| 92 |
> |
#undef HAVE_INTTYPES_H |
| 93 |
|
|
| 94 |
< |
/* Define to 1 if you find the <machine/hal_sysinfo.h> header file. */ |
| 94 |
> |
/* Define to 1 if you have the <iomanip> header file. */ |
| 95 |
> |
#undef HAVE_IOMANIP |
| 96 |
> |
|
| 97 |
> |
/* Define to 1 if you have the <iomanip.h> header file. */ |
| 98 |
> |
#undef HAVE_IOMANIP_H |
| 99 |
> |
|
| 100 |
> |
/* Define to 1 if you have the <iostream> header file. */ |
| 101 |
> |
#undef HAVE_IOSTREAM |
| 102 |
> |
|
| 103 |
> |
/* Define to 1 if you have the <iostream.h> header file. */ |
| 104 |
> |
#undef HAVE_IOSTREAM_H |
| 105 |
> |
|
| 106 |
> |
/* Define to 1 if you have the <libintl.h> header file. */ |
| 107 |
> |
#undef HAVE_LIBINTL_H |
| 108 |
> |
|
| 109 |
> |
/* Define to 1 if you have the `m' library (-lm). */ |
| 110 |
> |
#undef HAVE_LIBM |
| 111 |
> |
|
| 112 |
> |
/* Define to 1 if you have the `z' library (-lz). */ |
| 113 |
> |
#undef HAVE_LIBZ |
| 114 |
> |
|
| 115 |
> |
/* Define to 1 if you have the <limits.h> header file. */ |
| 116 |
> |
#undef HAVE_LIMITS_H |
| 117 |
> |
|
| 118 |
> |
/* Define to 1 if you have the <machine/hal_sysinfo.h> header file. */ |
| 119 |
|
#undef HAVE_MACHINE_HAL_SYSINFO_H |
| 120 |
|
|
| 121 |
< |
/* Define to 1 if you find the <sys/table.h> header file. */ |
| 122 |
< |
#undef HAVE_SYS_TABLE_H |
| 121 |
> |
/* Define to 1 if your system has a GNU libc compatible `malloc' function, and |
| 122 |
> |
to 0 otherwise. */ |
| 123 |
> |
#undef HAVE_MALLOC |
| 124 |
|
|
| 125 |
< |
/* Define to 1 if you find the <sys/param.h> header file. */ |
| 125 |
> |
/* Define to 1 if you have the <math.h> header file. */ |
| 126 |
> |
#undef HAVE_MATH_H |
| 127 |
> |
|
| 128 |
> |
/* Define to 1 if you have the `memchr' function. */ |
| 129 |
> |
#undef HAVE_MEMCHR |
| 130 |
> |
|
| 131 |
> |
/* Define to 1 if you have the `memmove' function. */ |
| 132 |
> |
#undef HAVE_MEMMOVE |
| 133 |
> |
|
| 134 |
> |
/* Define to 1 if you have the <memory.h> header file. */ |
| 135 |
> |
#undef HAVE_MEMORY_H |
| 136 |
> |
|
| 137 |
> |
/* Define to 1 if you have the `memset' function. */ |
| 138 |
> |
#undef HAVE_MEMSET |
| 139 |
> |
|
| 140 |
> |
/* have mpif.h */ |
| 141 |
> |
#undef HAVE_MPIF_H |
| 142 |
> |
|
| 143 |
> |
/* have mpi.h */ |
| 144 |
> |
#undef HAVE_MPI_H |
| 145 |
> |
|
| 146 |
> |
/* define if the compiler implements namespaces */ |
| 147 |
> |
#undef HAVE_NAMESPACES |
| 148 |
> |
|
| 149 |
> |
/* Define to 1 if you have the `pow' function. */ |
| 150 |
> |
#undef HAVE_POW |
| 151 |
> |
|
| 152 |
> |
/* Define to 1 if you have the `pstat_getdynamic' function. */ |
| 153 |
> |
#undef HAVE_PSTAT_GETDYNAMIC |
| 154 |
> |
|
| 155 |
> |
/* Define to 1 if you have the `pstat_getstatic' function. */ |
| 156 |
> |
#undef HAVE_PSTAT_GETSTATIC |
| 157 |
> |
|
| 158 |
> |
/* Define to 1 if your system has a GNU libc compatible `realloc' function, |
| 159 |
> |
and to 0 otherwise. */ |
| 160 |
> |
#undef HAVE_REALLOC |
| 161 |
> |
|
| 162 |
> |
/* Define to 1 if you have the `rint' function. */ |
| 163 |
> |
#undef HAVE_RINT |
| 164 |
> |
|
| 165 |
> |
/* Define to 1 if you have the `select' function. */ |
| 166 |
> |
#undef HAVE_SELECT |
| 167 |
> |
|
| 168 |
> |
/* Define to 1 if you have the `snprintf' function. */ |
| 169 |
> |
#undef HAVE_SNPRINTF |
| 170 |
> |
|
| 171 |
> |
/* Define to 1 if you have the `sqrt' function. */ |
| 172 |
> |
#undef HAVE_SQRT |
| 173 |
> |
|
| 174 |
> |
/* Define to 1 if you have the `sranddev' function. */ |
| 175 |
> |
#undef HAVE_SRANDDEV |
| 176 |
> |
|
| 177 |
> |
/* Define to 1 if you have the <sstream> header file. */ |
| 178 |
> |
#undef HAVE_SSTREAM |
| 179 |
> |
|
| 180 |
> |
/* Define to 1 if stdbool.h conforms to C99. */ |
| 181 |
> |
#undef HAVE_STDBOOL_H |
| 182 |
> |
|
| 183 |
> |
/* Define to 1 if you have the <stddef.h> header file. */ |
| 184 |
> |
#undef HAVE_STDDEF_H |
| 185 |
> |
|
| 186 |
> |
/* Define to 1 if you have the <stdint.h> header file. */ |
| 187 |
> |
#undef HAVE_STDINT_H |
| 188 |
> |
|
| 189 |
> |
/* Define to 1 if you have the <stdio.h> header file. */ |
| 190 |
> |
#undef HAVE_STDIO_H |
| 191 |
> |
|
| 192 |
> |
/* Define to 1 if you have the <stdlib.h> header file. */ |
| 193 |
> |
#undef HAVE_STDLIB_H |
| 194 |
> |
|
| 195 |
> |
/* define if C++ iostream is in namespace std. */ |
| 196 |
> |
#undef HAVE_STD_IOSTREAM |
| 197 |
> |
|
| 198 |
> |
/* define if C++ Standard Template Library is in namespace std */ |
| 199 |
> |
#undef HAVE_STD_STL |
| 200 |
> |
|
| 201 |
> |
/* define if the compiler supports Standard Template Library */ |
| 202 |
> |
#undef HAVE_STL |
| 203 |
> |
|
| 204 |
> |
/* Define to 1 if you have the `strcasecmp' function. */ |
| 205 |
> |
#undef HAVE_STRCASECMP |
| 206 |
> |
|
| 207 |
> |
/* Define to 1 if you have the `strchr' function. */ |
| 208 |
> |
#undef HAVE_STRCHR |
| 209 |
> |
|
| 210 |
> |
/* Define to 1 if you have the `strdup' function. */ |
| 211 |
> |
#undef HAVE_STRDUP |
| 212 |
> |
|
| 213 |
> |
/* Define to 1 if you have the `strftime' function. */ |
| 214 |
> |
#undef HAVE_STRFTIME |
| 215 |
> |
|
| 216 |
> |
/* Define to 1 if you have the `stricmp' function. */ |
| 217 |
> |
#undef HAVE_STRICMP |
| 218 |
> |
|
| 219 |
> |
/* Define to 1 if you have the <strings.h> header file. */ |
| 220 |
> |
#undef HAVE_STRINGS_H |
| 221 |
> |
|
| 222 |
> |
/* Define to 1 if you have the <string.h> header file. */ |
| 223 |
> |
#undef HAVE_STRING_H |
| 224 |
> |
|
| 225 |
> |
/* Define to 1 if you have the `strncasecmp' function. */ |
| 226 |
> |
#undef HAVE_STRNCASECMP |
| 227 |
> |
|
| 228 |
> |
/* Define to 1 if you have the `strnicmp' function. */ |
| 229 |
> |
#undef HAVE_STRNICMP |
| 230 |
> |
|
| 231 |
> |
/* Define to 1 if you have the `strrchr' function. */ |
| 232 |
> |
#undef HAVE_STRRCHR |
| 233 |
> |
|
| 234 |
> |
/* Define to 1 if you have the `strstr' function. */ |
| 235 |
> |
#undef HAVE_STRSTR |
| 236 |
> |
|
| 237 |
> |
/* Define to 1 if you have the <strstream> header file. */ |
| 238 |
> |
#undef HAVE_STRSTREAM |
| 239 |
> |
|
| 240 |
> |
/* Define to 1 if you have the <strstream.h> header file. */ |
| 241 |
> |
#undef HAVE_STRSTREAM_H |
| 242 |
> |
|
| 243 |
> |
/* Define to 1 if you have the `strtol' function. */ |
| 244 |
> |
#undef HAVE_STRTOL |
| 245 |
> |
|
| 246 |
> |
/* Define to 1 if you have the `sysctl' function. */ |
| 247 |
> |
#undef HAVE_SYSCTL |
| 248 |
> |
|
| 249 |
> |
/* Define to 1 if you have the `sysmp' function. */ |
| 250 |
> |
#undef HAVE_SYSMP |
| 251 |
> |
|
| 252 |
> |
/* Define to 1 if you have the <sys/param.h> header file. */ |
| 253 |
|
#undef HAVE_SYS_PARAM_H |
| 254 |
|
|
| 255 |
< |
/* Define to 1 if you find the <sys/sysctl.h> header file. */ |
| 255 |
> |
/* Define to 1 if you have the <sys/pstat.h> header file. */ |
| 256 |
> |
#undef HAVE_SYS_PSTAT_H |
| 257 |
> |
|
| 258 |
> |
/* Define to 1 if you have the <sys/select.h> header file. */ |
| 259 |
> |
#undef HAVE_SYS_SELECT_H |
| 260 |
> |
|
| 261 |
> |
/* Define to 1 if you have the <sys/socket.h> header file. */ |
| 262 |
> |
#undef HAVE_SYS_SOCKET_H |
| 263 |
> |
|
| 264 |
> |
/* Define to 1 if you have the <sys/stat.h> header file. */ |
| 265 |
> |
#undef HAVE_SYS_STAT_H |
| 266 |
> |
|
| 267 |
> |
/* Define to 1 if you have the <sys/sysctl.h> header file. */ |
| 268 |
|
#undef HAVE_SYS_SYSCTL_H |
| 269 |
|
|
| 270 |
< |
/* Define to 1 if you find the <sys/systemcfg.h> header file. */ |
| 270 |
> |
/* Define to 1 if you have the <sys/sysinfo.h> header file. */ |
| 271 |
> |
#undef HAVE_SYS_SYSINFO_H |
| 272 |
> |
|
| 273 |
> |
/* Define to 1 if you have the <sys/sysmp.h> header file. */ |
| 274 |
> |
#undef HAVE_SYS_SYSMP_H |
| 275 |
> |
|
| 276 |
> |
/* Define to 1 if you have the <sys/systemcfg.h> header file. */ |
| 277 |
|
#undef HAVE_SYS_SYSTEMCFG_H |
| 278 |
|
|
| 279 |
< |
#undef HAVE_PSTAT_GETSTATIC |
| 280 |
< |
#undef HAVE_SYSMP |
| 281 |
< |
#undef HAVE_GETSYSINFO |
| 282 |
< |
#undef HAVE_SYSCTL |
| 279 |
> |
/* Define to 1 if you have the <sys/table.h> header file. */ |
| 280 |
> |
#undef HAVE_SYS_TABLE_H |
| 281 |
> |
|
| 282 |
> |
/* Define to 1 if you have the <sys/time.h> header file. */ |
| 283 |
> |
#undef HAVE_SYS_TIME_H |
| 284 |
> |
|
| 285 |
> |
/* Define to 1 if you have the <sys/types.h> header file. */ |
| 286 |
> |
#undef HAVE_SYS_TYPES_H |
| 287 |
> |
|
| 288 |
> |
/* Define to 1 if you have the `table' function. */ |
| 289 |
> |
#undef HAVE_TABLE |
| 290 |
> |
|
| 291 |
> |
/* Define to 1 if you have the <time.h> header file. */ |
| 292 |
> |
#undef HAVE_TIME_H |
| 293 |
> |
|
| 294 |
> |
/* Define to 1 if you have the <unistd.h> header file. */ |
| 295 |
> |
#undef HAVE_UNISTD_H |
| 296 |
> |
|
| 297 |
> |
/* Define to 1 if you have the <zlib.h> header file. */ |
| 298 |
> |
#undef HAVE_ZLIB_H |
| 299 |
> |
|
| 300 |
> |
/* Define to 1 if the system has the type `_Bool'. */ |
| 301 |
> |
#undef HAVE__BOOL |
| 302 |
> |
|
| 303 |
> |
/* Define if you have the _system_configuration variable. */ |
| 304 |
|
#undef HAVE__SYSTEM_CONFIGURATION |
| 54 |
– |
#undef HAVE_TABLE |
| 55 |
– |
#undef HAVE_CGAL |
| 305 |
|
|
| 306 |
< |
/* Define to the path to the ps command on this machine. */ |
| 306 |
> |
/* Used to export symbols for DLL / shared library builds */ |
| 307 |
> |
#undef OBAPI |
| 308 |
> |
|
| 309 |
> |
/* Define to the address where bug reports for this package should be sent. */ |
| 310 |
> |
#undef PACKAGE_BUGREPORT |
| 311 |
> |
|
| 312 |
> |
/* Define to the full name of this package. */ |
| 313 |
> |
#undef PACKAGE_NAME |
| 314 |
> |
|
| 315 |
> |
/* Define to the full name and version of this package. */ |
| 316 |
> |
#undef PACKAGE_STRING |
| 317 |
> |
|
| 318 |
> |
/* Define to the one symbol short name of this package. */ |
| 319 |
> |
#undef PACKAGE_TARNAME |
| 320 |
> |
|
| 321 |
> |
/* Define to the version of this package. */ |
| 322 |
> |
#undef PACKAGE_VERSION |
| 323 |
> |
|
| 324 |
> |
/* Path to ps program */ |
| 325 |
|
#undef PSCOMMAND |
| 326 |
|
|
| 327 |
< |
/* Define to 1 if the ps command understands POSIX-style arguments. */ |
| 327 |
> |
/* ps uses BSD-style arguments */ |
| 328 |
> |
#undef PSTYPE_IS_BSD |
| 329 |
> |
|
| 330 |
> |
/* ps uses POSIX-style arguments */ |
| 331 |
|
#undef PSTYPE_IS_POSIX |
| 332 |
|
|
| 333 |
< |
/* Define to 1 if the ps command understands BSD-style arguments. */ |
| 334 |
< |
#undef PSTYPE_IS_BSD |
| 333 |
> |
/* Define to the type of arg 1 for `select'. */ |
| 334 |
> |
#undef SELECT_TYPE_ARG1 |
| 335 |
> |
|
| 336 |
> |
/* Define to the type of args 2, 3 and 4 for `select'. */ |
| 337 |
> |
#undef SELECT_TYPE_ARG234 |
| 338 |
> |
|
| 339 |
> |
/* Define to the type of arg 5 for `select'. */ |
| 340 |
> |
#undef SELECT_TYPE_ARG5 |
| 341 |
> |
|
| 342 |
> |
/* Define to 1 if you have the ANSI C header files. */ |
| 343 |
> |
#undef STDC_HEADERS |
| 344 |
> |
|
| 345 |
> |
/* Define to 1 if you can safely include both <sys/time.h> and <time.h>. */ |
| 346 |
> |
#undef TIME_WITH_SYS_TIME |
| 347 |
> |
|
| 348 |
> |
/* needed by DEC/Compaq/HP cxx to activate ANSI standard iostream. */ |
| 349 |
> |
#undef __USE_STD_IOSTREAM |
| 350 |
> |
|
| 351 |
> |
/* Define to __FUNCTION__ or "" if `__func__' does not conform to ANSI C. */ |
| 352 |
> |
#undef __func__ |
| 353 |
> |
|
| 354 |
> |
/* Define to empty if `const' does not conform to ANSI C. */ |
| 355 |
> |
#undef const |
| 356 |
> |
|
| 357 |
> |
/* Code compiled in debug mode */ |
| 358 |
> |
#undef debug |
| 359 |
> |
|
| 360 |
> |
/* Define to `__inline__' or `__inline' if that's what the C compiler |
| 361 |
> |
calls it, or to nothing if 'inline' is not supported under any name. */ |
| 362 |
> |
#ifndef __cplusplus |
| 363 |
> |
#undef inline |
| 364 |
> |
#endif |
| 365 |
> |
|
| 366 |
> |
/* Define to rpl_malloc if the replacement function should be used. */ |
| 367 |
> |
#undef malloc |
| 368 |
> |
|
| 369 |
> |
/* Define to rpl_realloc if the replacement function should be used. */ |
| 370 |
> |
#undef realloc |
| 371 |
> |
|
| 372 |
> |
/* Define to equivalent of C99 restrict keyword, or to nothing if this is not |
| 373 |
> |
supported. Do not define if restrict is supported directly. */ |
| 374 |
> |
#undef restrict |
| 375 |
> |
|
| 376 |
> |
/* Define to `unsigned' if <sys/types.h> does not define. */ |
| 377 |
> |
#undef size_t |
| 378 |
> |
|
| 379 |
> |
#ifdef SINGLE_PRECISION |
| 380 |
> |
typedef float RealType; |
| 381 |
> |
#ifdef IS_MPI |
| 382 |
> |
#define MPI_REALTYPE MPI_FLOAT |
| 383 |
> |
#endif |
| 384 |
> |
#else |
| 385 |
> |
typedef double RealType; |
| 386 |
> |
#ifdef IS_MPI |
| 387 |
> |
#define MPI_REALTYPE MPI_DOUBLE |
| 388 |
> |
#endif |
| 389 |
> |
#endif |
