* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-
#ifndef _simple_h
#define _simple_h
-/* Dont remove this instance of HAVE_CONFIG_H!!!
- *
- * We dont _require_ config.h here, but IF one is
- * available it might contain valuable information about simple types
- * that helps us automate things better and avoid bailing out.
- *
- * Note that this does not have to be the gromacs config.h - several
- * package setups define these simple types.
- */
-#ifdef HAVE_CONFIG_H
-# include <config.h>
-#endif
-
-/* Information about integer data type sizes */
-#include <limits.h>
-#define __STDC_LIMIT_MACROS
-#include <stdint.h>
-#ifndef _MSC_VER
-#define __STDC_FORMAT_MACROS
-#include <inttypes.h>
-#endif
-
-#ifdef __cplusplus
-extern "C" {
-#endif
-#if 0
-}
-#endif
-
-
-#define XX 0 /* Defines for indexing in */
-#define YY 1 /* vectors */
-#define ZZ 2
-#define DIM 3 /* Dimension of vectors */
-#define XXXX 0 /* defines to index matrices */
-#define XXYY 1
-#define XXZZ 2
-#define YYXX 3
-#define YYYY 4
-#define YYZZ 5
-#define ZZXX 6
-#define ZZYY 7
-#define ZZZZ 8
-
-/* There is no standard size for 'bool' in C++, so when
- * we previously defined it to int for C code the data types
- * (and structs) would have different size depending on your compiler,
- * both at gromacs build time and when you use the library.
- * The only way around this is to NOT assume anything about the C++ type,
- * so we cannot use the name 'bool' in our C code anymore.
- */
-
-typedef int gmx_bool;
-
-#ifndef FALSE
-# define FALSE 0
-#endif
-#ifndef TRUE
-# define TRUE 1
-#endif
-#define BOOL_NR 2
-
+#include "gromacs/math/vectypes.h"
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/real.h"
typedef int atom_id; /* To indicate an atoms id */
#define NO_ATID (atom_id)(~0) /* Use this to indicate invalid atid */
-/*! \brief Double precision accuracy */
-#define GMX_DOUBLE_EPS 1.11022302E-16
-
-/*! \brief Maximum double precision value - reduced 1 unit in last digit for MSVC */
-#define GMX_DOUBLE_MAX 1.79769312E+308
-
-/*! \brief Minimum double precision value */
-#define GMX_DOUBLE_MIN 2.22507386E-308
-
-/*! \brief Single precision accuracy */
-#define GMX_FLOAT_EPS 5.96046448E-08
-
-/*! \brief Maximum single precision value - reduced 1 unit in last digit for MSVC */
-#define GMX_FLOAT_MAX 3.40282346E+38
-
-/*! \brief Minimum single precision value */
-#define GMX_FLOAT_MIN 1.17549435E-38
-
-
-/* Check whether we already have a real type! */
-#ifdef GMX_DOUBLE
-
-#ifndef HAVE_REAL
-typedef double real;
-#define HAVE_REAL
-#endif
-
-#define GMX_MPI_REAL MPI_DOUBLE
-#define GMX_REAL_EPS GMX_DOUBLE_EPS
-#define GMX_REAL_MIN GMX_DOUBLE_MIN
-#define GMX_REAL_MAX GMX_DOUBLE_MAX
-#define gmx_real_fullprecision_pfmt "%21.14e"
-#else
-
-#ifndef HAVE_REAL
-typedef float real;
-#define HAVE_REAL
-#endif
-
-#define GMX_MPI_REAL MPI_FLOAT
-#define GMX_REAL_EPS GMX_FLOAT_EPS
-#define GMX_REAL_MIN GMX_FLOAT_MIN
-#define GMX_REAL_MAX GMX_FLOAT_MAX
-#define gmx_real_fullprecision_pfmt "%14.7e"
-#endif
-
-typedef real rvec[DIM];
-
-typedef double dvec[DIM];
-
-typedef real matrix[DIM][DIM];
-
-typedef real tensor[DIM][DIM];
-
-typedef int ivec[DIM];
-
-typedef int imatrix[DIM][DIM];
-
-#ifdef _MSC_VER
-typedef __int32 gmx_int32_t;
-#define GMX_PRId32 "I32d"
-#define GMX_SCNd32 "I32d"
-
-typedef __int64 gmx_int64_t;
-#define GMX_PRId64 "I64d"
-#define GMX_SCNd64 "I64d"
-
-typedef unsigned __int32 gmx_uint32_t;
-#define GMX_PRIu32 "I32u"
-#define GMX_SCNu32 "I32u"
-
-typedef unsigned __int64 gmx_uint64_t;
-#define GMX_PRIu64 "I64u"
-#define GMX_SCNu64 "I64u"
-#else
-typedef int32_t gmx_int32_t;
-#define GMX_PRId32 PRId32
-#define GMX_SCNd32 SCNd32
-
-typedef int64_t gmx_int64_t;
-#define GMX_PRId64 PRId64
-#define GMX_SCNd64 SCNd64
-
-typedef uint32_t gmx_uint32_t;
-#define GMX_PRIu32 PRIu32
-#define GMX_SCNu32 SCNu32
-
-typedef uint64_t gmx_uint64_t;
-#define GMX_PRIu64 PRIu64
-#define GMX_SCNu64 SCNu64
-#endif
-
-#define GMX_INT32_MAX INT32_MAX
-#define GMX_INT32_MIN INT32_MIN
-
-#define GMX_INT64_MAX INT64_MAX
-#define GMX_INT64_MIN INT64_MIN
-
-#define GMX_UINT32_MAX UINT32_MAX
-#define GMX_UINT32_MIN UINT32_MIN
-
-#define GMX_UINT64_MAX UINT64_MAX
-#define GMX_UINT64_MIN UINT64_MIN
-
-#ifndef gmx_inline
-/* config.h tests for inline definitions and should work on a much wider range
- * of compilers, but does not work with installed headers. These compiler checks
- * still enable a real inline keyword for the most common compilers.
- */
-
-/* Try to define suitable inline keyword for gmx_inline.
- * Set it to empty if we cannot find one (and dont complain to the user)
- */
-#ifndef __cplusplus
-
-#ifdef __GNUC__
-/* GCC */
-# define gmx_inline __inline__
-#elif (defined(__INTEL_COMPILER) || defined(__ECC)) && defined(__ia64__)
-/* ICC */
-# define gmx_inline __inline__
-#elif defined(__PATHSCALE__)
-/* Pathscale */
-# define gmx_inline __inline__
-#elif defined(__PGIC__)
-/* Portland */
-# define gmx_inline __inline
-#elif defined _MSC_VER
-/* MSVC */
-# define gmx_inline __inline
-#elif defined(__xlC__)
-/* IBM */
-# define gmx_inline __inline
-#else
-# define gmx_inline
-#endif
-
-#else
-/* C++ */
-# define gmx_inline inline
-#endif
-
-#endif /* ifndef gmx_inline */
-
-
-/* Restrict keywords. Note that this has to be done for C++ too, unless
- * it was set from the more general checks if we had config.h (gmx internal)
- */
-#ifndef gmx_restrict
-
-#ifdef __GNUC__
-/* GCC */
-# define gmx_restrict __restrict__
-#elif (defined(__INTEL_COMPILER) || defined(__ECC)) && defined(__ia64__)
-/* ICC */
-# define gmx_restrict __restrict__
-#elif defined(__PATHSCALE__)
-/* Pathscale */
-# define gmx_restrict __restrict
-#elif defined(__PGIC__)
-/* Portland */
-# define gmx_restrict __restrict
-#elif defined _MSC_VER
-/* MSVC */
-# define gmx_restrict __restrict
-#elif defined(__xlC__)
-/* IBM */
-# define gmx_restrict __restrict
-#else
-# define gmx_restrict
-#endif
-
-#endif
-
-/*
- * These attributes suppress compiler warnings about unused function arguments
- * by marking them as possibly unused. Some arguments are unused but
- * have to be retained to preserve a function signature
- * that must match that of another function.
- * Some arguments are only used in *some* code paths (e.g. MPI)
- */
-
-#ifndef gmx_unused
-#ifdef __GNUC__
-/* GCC, clang, and some ICC pretending to be GCC */
-# define gmx_unused __attribute__ ((unused))
-#elif (defined(__INTEL_COMPILER) || defined(__ECC)) && !defined(_MSC_VER)
-/* ICC on *nix */
-# define gmx_unused __attribute__ ((unused))
-#elif defined _MSC_VER
-/* MSVC */
-# define gmx_unused /*@unused@*/
-#elif defined(__xlC__)
-/* IBM */
-# define gmx_unused __attribute__ ((unused))
-#else
-# define gmx_unused
-#endif
-#endif
-
-/* Standard sizes for char* string buffers */
-#define STRLEN 4096
-#define BIG_STRLEN 1048576
-
-
-#ifdef __cplusplus
-}
-#endif
-
#endif
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