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41 /* Dont remove this instance of HAVE_CONFIG_H!!!
43 * We dont _require_ config.h here, but IF one is
44 * available it might contain valuable information about simple types
45 * that helps us automate things better and avoid bailing out.
47 * Note that this does not have to be the gromacs config.h - several
48 * package setups define these simple types.
54 /* Information about integer data type sizes */
56 #define __STDC_LIMIT_MACROS
59 #define __STDC_FORMAT_MACROS
71 #define XX 0 /* Defines for indexing in */
72 #define YY 1 /* vectors */
74 #define DIM 3 /* Dimension of vectors */
75 #define XXXX 0 /* defines to index matrices */
85 /* There is no standard size for 'bool' in C++, so when
86 * we previously defined it to int for C code the data types
87 * (and structs) would have different size depending on your compiler,
88 * both at gromacs build time and when you use the library.
89 * The only way around this is to NOT assume anything about the C++ type,
90 * so we cannot use the name 'bool' in our C code anymore.
104 typedef int atom_id; /* To indicate an atoms id */
105 #define NO_ATID (atom_id)(~0) /* Use this to indicate invalid atid */
107 /*! \brief Double precision accuracy */
108 #define GMX_DOUBLE_EPS 1.11022302E-16
110 /*! \brief Maximum double precision value - reduced 1 unit in last digit for MSVC */
111 #define GMX_DOUBLE_MAX 1.79769312E+308
113 /*! \brief Minimum double precision value */
114 #define GMX_DOUBLE_MIN 2.22507386E-308
116 /*! \brief Single precision accuracy */
117 #define GMX_FLOAT_EPS 5.96046448E-08
119 /*! \brief Maximum single precision value - reduced 1 unit in last digit for MSVC */
120 #define GMX_FLOAT_MAX 3.40282346E+38
122 /*! \brief Minimum single precision value */
123 #define GMX_FLOAT_MIN 1.17549435E-38
126 /* Check whether we already have a real type! */
134 #define GMX_MPI_REAL MPI_DOUBLE
135 #define GMX_REAL_EPS GMX_DOUBLE_EPS
136 #define GMX_REAL_MIN GMX_DOUBLE_MIN
137 #define GMX_REAL_MAX GMX_DOUBLE_MAX
138 #define gmx_real_fullprecision_pfmt "%21.14e"
146 #define GMX_MPI_REAL MPI_FLOAT
147 #define GMX_REAL_EPS GMX_FLOAT_EPS
148 #define GMX_REAL_MIN GMX_FLOAT_MIN
149 #define GMX_REAL_MAX GMX_FLOAT_MAX
150 #define gmx_real_fullprecision_pfmt "%14.7e"
153 typedef real rvec[DIM];
155 typedef double dvec[DIM];
157 typedef real matrix[DIM][DIM];
159 typedef real tensor[DIM][DIM];
161 typedef int ivec[DIM];
163 typedef int imatrix[DIM][DIM];
166 typedef __int32 gmx_int32_t;
167 #define GMX_PRId32 "I32d"
168 #define GMX_SCNd32 "I32d"
170 typedef __int64 gmx_int64_t;
171 #define GMX_PRId64 "I64d"
172 #define GMX_SCNd64 "I64d"
174 typedef unsigned __int32 gmx_uint32_t;
175 #define GMX_PRIu32 "U32d"
176 #define GMX_SCNu32 "U32d"
178 typedef unsigned __int64 gmx_uint64_t;
179 #define GMX_PRIu64 "U64d"
180 #define GMX_SCNu64 "U64d"
182 typedef int32_t gmx_int32_t;
183 #define GMX_PRId32 PRId32
184 #define GMX_SCNd32 SCNd32
186 typedef int64_t gmx_int64_t;
187 #define GMX_PRId64 PRId64
188 #define GMX_SCNd64 SCNd64
190 typedef uint32_t gmx_uint32_t;
191 #define GMX_PRIu32 PRIu32
192 #define GMX_SCNu32 SCNu32
194 typedef uint64_t gmx_uint64_t;
195 #define GMX_PRIu64 PRIu64
196 #define GMX_SCNu64 SCNu64
199 #define GMX_INT32_MAX INT32_MAX
200 #define GMX_INT32_MIN INT32_MIN
202 #define GMX_INT64_MAX INT64_MAX
203 #define GMX_INT64_MIN INT64_MIN
205 #define GMX_UINT32_MAX UINT32_MAX
206 #define GMX_UINT32_MIN UINT32_MIN
208 #define GMX_UINT64_MAX UINT64_MAX
209 #define GMX_UINT64_MIN UINT64_MIN
212 /* config.h tests for inline definitions and should work on a much wider range
213 * of compilers, but does not work with installed headers. These compiler checks
214 * still enable a real inline keyword for the most common compilers.
217 /* Try to define suitable inline keyword for gmx_inline.
218 * Set it to empty if we cannot find one (and dont complain to the user)
224 # define gmx_inline __inline__
225 #elif (defined(__INTEL_COMPILER) || defined(__ECC)) && defined(__ia64__)
227 # define gmx_inline __inline__
228 #elif defined(__PATHSCALE__)
230 # define gmx_inline __inline__
231 #elif defined(__PGIC__)
233 # define gmx_inline __inline
234 #elif defined _MSC_VER
236 # define gmx_inline __inline
237 #elif defined(__xlC__)
239 # define gmx_inline __inline
246 # define gmx_inline inline
249 #endif /* ifndef gmx_inline */
252 /* Restrict keywords. Note that this has to be done for C++ too, unless
253 * it was set from the more general checks if we had config.h (gmx internal)
259 # define gmx_restrict __restrict__
260 #elif (defined(__INTEL_COMPILER) || defined(__ECC)) && defined(__ia64__)
262 # define gmx_restrict __restrict__
263 #elif defined(__PATHSCALE__)
265 # define gmx_restrict __restrict
266 #elif defined(__PGIC__)
268 # define gmx_restrict __restrict
269 #elif defined _MSC_VER
271 # define gmx_restrict __restrict
272 #elif defined(__xlC__)
274 # define gmx_restrict __restrict
276 # define gmx_restrict
282 * These attributes suppress compiler warnings about unused function arguments
283 * by marking them as possibly unused. Some arguments are unused but
284 * have to be retained to preserve a function signature
285 * that must match that of another function.
286 * Some arguments are only used in *some* code paths (e.g. MPI)
291 /* GCC, clang, and some ICC pretending to be GCC */
292 # define gmx_unused __attribute__ ((unused))
293 #elif (defined(__INTEL_COMPILER) || defined(__ECC)) && !defined(_MSC_VER)
295 # define gmx_unused __attribute__ ((unused))
296 #elif defined _MSC_VER
298 # define gmx_unused /*@unused@*/
299 #elif defined(__xlC__)
301 # define gmx_unused __attribute__ ((unused))
307 /* Standard sizes for char* string buffers */
309 #define BIG_STRLEN 1048576