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41 /* Information about integer data type sizes */
43 #define __STDC_LIMIT_MACROS
46 #define __STDC_FORMAT_MACROS
58 #define XX 0 /* Defines for indexing in */
59 #define YY 1 /* vectors */
61 #define DIM 3 /* Dimension of vectors */
62 #define XXXX 0 /* defines to index matrices */
72 /* There is no standard size for 'bool' in C++, so when
73 * we previously defined it to int for C code the data types
74 * (and structs) would have different size depending on your compiler,
75 * both at gromacs build time and when you use the library.
76 * The only way around this is to NOT assume anything about the C++ type,
77 * so we cannot use the name 'bool' in our C code anymore.
91 typedef int atom_id; /* To indicate an atoms id */
92 #define NO_ATID (atom_id)(~0) /* Use this to indicate invalid atid */
94 /*! \brief Double precision accuracy */
95 #define GMX_DOUBLE_EPS 2.2204460492503131e-16
97 /*! \brief Maximum double precision value - reduced 1 unit in last digit for MSVC */
98 #define GMX_DOUBLE_MAX 1.7976931348623157e+308
100 /*! \brief Minimum double precision value */
101 #define GMX_DOUBLE_MIN 2.2250738585072014e-308
103 /*! \brief Single precision accuracy */
104 #define GMX_FLOAT_EPS 1.19209290e-07F
106 /*! \brief Maximum single precision value - reduced 1 unit in last digit for MSVC */
107 #define GMX_FLOAT_MAX 3.40282346E+38F
109 /*! \brief Minimum single precision value */
110 #define GMX_FLOAT_MIN 1.175494351E-38F
113 /* Check whether we already have a real type! */
121 #define GMX_MPI_REAL MPI_DOUBLE
122 #define GMX_REAL_EPS GMX_DOUBLE_EPS
123 #define GMX_REAL_MIN GMX_DOUBLE_MIN
124 #define GMX_REAL_MAX GMX_DOUBLE_MAX
125 #define gmx_real_fullprecision_pfmt "%21.14e"
133 #define GMX_MPI_REAL MPI_FLOAT
134 #define GMX_REAL_EPS GMX_FLOAT_EPS
135 #define GMX_REAL_MIN GMX_FLOAT_MIN
136 #define GMX_REAL_MAX GMX_FLOAT_MAX
137 #define gmx_real_fullprecision_pfmt "%14.7e"
140 typedef real rvec[DIM];
142 typedef double dvec[DIM];
144 typedef real matrix[DIM][DIM];
146 typedef real tensor[DIM][DIM];
148 typedef int ivec[DIM];
150 typedef int imatrix[DIM][DIM];
153 typedef __int32 gmx_int32_t;
154 #define GMX_PRId32 "I32d"
155 #define GMX_SCNd32 "I32d"
157 typedef __int64 gmx_int64_t;
158 #define GMX_PRId64 "I64d"
159 #define GMX_SCNd64 "I64d"
161 typedef unsigned __int32 gmx_uint32_t;
162 #define GMX_PRIu32 "I32u"
163 #define GMX_SCNu32 "I32u"
165 typedef unsigned __int64 gmx_uint64_t;
166 #define GMX_PRIu64 "I64u"
167 #define GMX_SCNu64 "I64u"
169 typedef int32_t gmx_int32_t;
170 #define GMX_PRId32 PRId32
171 #define GMX_SCNd32 SCNd32
173 typedef int64_t gmx_int64_t;
174 #define GMX_PRId64 PRId64
175 #define GMX_SCNd64 SCNd64
177 typedef uint32_t gmx_uint32_t;
178 #define GMX_PRIu32 PRIu32
179 #define GMX_SCNu32 SCNu32
181 typedef uint64_t gmx_uint64_t;
182 #define GMX_PRIu64 PRIu64
183 #define GMX_SCNu64 SCNu64
186 #define GMX_INT32_MAX INT32_MAX
187 #define GMX_INT32_MIN INT32_MIN
189 #define GMX_INT64_MAX INT64_MAX
190 #define GMX_INT64_MIN INT64_MIN
192 #define GMX_UINT32_MAX UINT32_MAX
193 #define GMX_UINT32_MIN UINT32_MIN
195 #define GMX_UINT64_MAX UINT64_MAX
196 #define GMX_UINT64_MIN UINT64_MIN
198 #if !defined __cplusplus && _MSC_VER
199 #define gmx_inline __inline
202 #define gmx_inline inline
205 /* ICC, GCC, MSVC, Pathscale, PGI, XLC support __restrict.
206 * Any other compiler can be added here. We cannot
207 * use restrict because it is in C99 but not in C++ */
208 #define gmx_restrict __restrict
211 * These attributes suppress compiler warnings about unused function arguments
212 * by marking them as possibly unused. Some arguments are unused but
213 * have to be retained to preserve a function signature
214 * that must match that of another function.
215 * Some arguments are only used in *some* code paths (e.g. MPI)
220 /* GCC, clang, and some ICC pretending to be GCC */
221 # define gmx_unused __attribute__ ((unused))
222 #elif (defined(__INTEL_COMPILER) || defined(__ECC)) && !defined(_MSC_VER)
224 # define gmx_unused __attribute__ ((unused))
225 #elif defined _MSC_VER
227 # define gmx_unused /*@unused@*/
228 #elif defined(__xlC__)
230 # define gmx_unused __attribute__ ((unused))
236 /* Standard sizes for char* string buffers */
238 #define BIG_STRLEN 1048576