2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
5 * Copyright (c) 2001-2004, The GROMACS development team.
6 * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
7 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
8 * and including many others, as listed in the AUTHORS file in the
9 * top-level source directory and at http://www.gromacs.org.
11 * GROMACS is free software; you can redistribute it and/or
12 * modify it under the terms of the GNU Lesser General Public License
13 * as published by the Free Software Foundation; either version 2.1
14 * of the License, or (at your option) any later version.
16 * GROMACS is distributed in the hope that it will be useful,
17 * but WITHOUT ANY WARRANTY; without even the implied warranty of
18 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
19 * Lesser General Public License for more details.
21 * You should have received a copy of the GNU Lesser General Public
22 * License along with GROMACS; if not, see
23 * http://www.gnu.org/licenses, or write to the Free Software Foundation,
24 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
26 * If you want to redistribute modifications to GROMACS, please
27 * consider that scientific software is very special. Version
28 * control is crucial - bugs must be traceable. We will be happy to
29 * consider code for inclusion in the official distribution, but
30 * derived work must not be called official GROMACS. Details are found
31 * in the README & COPYING files - if they are missing, get the
32 * official version at http://www.gromacs.org.
34 * To help us fund GROMACS development, we humbly ask that you cite
35 * the research papers on the package. Check out http://www.gromacs.org.
37 #ifndef GMX_FILEIO_GMXFIO_XDR_H
38 #define GMX_FILEIO_GMXFIO_XDR_H
42 #include "gromacs/fileio/xdrf.h"
43 #include "gromacs/math/vectypes.h"
44 #include "gromacs/utility/basedefinitions.h"
45 #include "gromacs/utility/iserializer.h"
46 #include "gromacs/utility/real.h"
50 void gmx_fio_setprecision(struct t_fileio
*fio
, gmx_bool bDouble
);
51 /* Select the floating point precision for reading and writing files */
53 XDR
*gmx_fio_getxdr(struct t_fileio
*fio
);
54 /* Return the file pointer itself */
56 gmx_bool
gmx_fio_writee_string(struct t_fileio
*fio
, const char *item
,
57 const char *desc
, const char *srcfile
, int line
);
59 /* reading or writing, depending on the file's opening mode string */
60 gmx_bool
gmx_fio_doe_real(struct t_fileio
*fio
, real
*item
,
61 const char *desc
, const char *srcfile
, int line
);
62 gmx_bool
gmx_fio_doe_float(struct t_fileio
*fio
, float *item
,
63 const char *desc
, const char *srcfile
, int line
);
64 gmx_bool
gmx_fio_doe_double(struct t_fileio
*fio
, double *item
,
65 const char *desc
, const char *srcfile
, int line
);
66 gmx_bool
gmx_fio_doe_gmx_bool(struct t_fileio
*fio
, gmx_bool
*item
,
67 const char *desc
, const char *srcfile
, int line
);
68 gmx_bool
gmx_fio_doe_int(struct t_fileio
*fio
, int *item
,
69 const char *desc
, const char *srcfile
, int line
);
70 gmx_bool
gmx_fio_doe_int64(struct t_fileio
*fio
, gmx_int64_t
*item
,
71 const char *desc
, const char *srcfile
, int line
);
72 gmx_bool
gmx_fio_doe_uchar(struct t_fileio
*fio
, unsigned char *item
,
73 const char *desc
, const char *srcfile
, int line
);
74 gmx_bool
gmx_fio_doe_ushort(struct t_fileio
*fio
, unsigned short *item
,
75 const char *desc
, const char *srcfile
, int line
);
76 gmx_bool
gmx_fio_doe_rvec(struct t_fileio
*fio
, rvec
*item
,
77 const char *desc
, const char *srcfile
, int line
);
78 gmx_bool
gmx_fio_doe_ivec(struct t_fileio
*fio
, ivec
*item
,
79 const char *desc
, const char *srcfile
, int line
);
80 gmx_bool
gmx_fio_doe_string(struct t_fileio
*fio
, char *item
,
81 const char *desc
, const char *srcfile
, int line
);
83 /* array reading & writing */
84 gmx_bool
gmx_fio_ndoe_real(struct t_fileio
*fio
, real
*item
, int n
,
85 const char *desc
, const char *srcfile
, int line
);
86 gmx_bool
gmx_fio_ndoe_float(struct t_fileio
*fio
, float *item
, int n
,
87 const char *desc
, const char *srcfile
, int line
);
88 gmx_bool
gmx_fio_ndoe_double(struct t_fileio
*fio
, double *item
, int n
,
89 const char *desc
, const char *srcfile
, int line
);
90 gmx_bool
gmx_fio_ndoe_gmx_bool(struct t_fileio
*fio
, gmx_bool
*item
, int n
,
91 const char *desc
, const char *srcfile
, int line
);
92 gmx_bool
gmx_fio_ndoe_int(struct t_fileio
*fio
, int *item
, int n
,
93 const char *desc
, const char *srcfile
, int line
);
94 gmx_bool
gmx_fio_ndoe_int64(struct t_fileio
*fio
, gmx_int64_t
*item
, int n
,
95 const char *desc
, const char *srcfile
,
97 gmx_bool
gmx_fio_ndoe_uchar(struct t_fileio
*fio
, unsigned char *item
, int n
,
98 const char *desc
, const char *srcfile
, int line
);
99 gmx_bool
gmx_fio_ndoe_ushort(struct t_fileio
*fio
, unsigned short *item
, int n
,
100 const char *desc
, const char *srcfile
, int line
);
101 gmx_bool
gmx_fio_ndoe_rvec(struct t_fileio
*fio
, rvec
*item
, int n
,
102 const char *desc
, const char *srcfile
, int line
);
103 gmx_bool
gmx_fio_ndoe_ivec(struct t_fileio
*fio
, ivec
*item
, int n
,
104 const char *desc
, const char *srcfile
, int line
);
105 gmx_bool
gmx_fio_ndoe_string(struct t_fileio
*fio
, char *item
[], int n
,
106 const char *desc
, const char *srcfile
, int line
);
110 /* convenience macros */
111 #define gmx_fio_write_string(fio, item) gmx_fio_writee_string(fio, item, (#item), __FILE__, __LINE__)
113 #define gmx_fio_do_real(fio, item) gmx_fio_doe_real(fio, &item, (#item), __FILE__, __LINE__)
114 #define gmx_fio_do_float(fio, item) gmx_fio_doe_float(fio, &item, (#item), __FILE__, __LINE__)
115 #define gmx_fio_do_double(fio, item) gmx_fio_doe_double(fio, &item, (#item), __FILE__, __LINE__)
116 #define gmx_fio_do_gmx_bool(fio, item) gmx_fio_doe_gmx_bool(fio, &item, (#item), __FILE__, __LINE__)
117 #define gmx_fio_do_int(fio, item) gmx_fio_doe_int(fio, &item, (#item), __FILE__, __LINE__)
118 #define gmx_fio_do_int64(fio, item) gmx_fio_doe_int64(fio, &item, (#item), __FILE__, __LINE__)
119 #define gmx_fio_do_uchar(fio, item) gmx_fio_doe_uchar(fio, &item, (#item), __FILE__, __LINE__)
120 #define gmx_fio_do_ushort(fio, item) gmx_fio_doe_ushort(fio, &item, (#item), __FILE__, __LINE__)
121 #define gmx_fio_do_rvec(fio, item) gmx_fio_doe_rvec(fio, &item, (#item), __FILE__, __LINE__)
122 #define gmx_fio_do_ivec(fio, item) gmx_fio_doe_ivec(fio, &item, (#item), __FILE__, __LINE__)
123 #define gmx_fio_do_string(fio, item) gmx_fio_doe_string(fio, item, (#item), __FILE__, __LINE__)
126 #define gmx_fio_ndo_real(fio, item, n) gmx_fio_ndoe_real(fio, item, n, (#item), __FILE__, __LINE__)
127 #define gmx_fio_ndo_float(fio, item, n) gmx_fio_ndoe_float(fio, item, n, (#item), __FILE__, __LINE__)
128 #define gmx_fio_ndo_double(fio, item, n) gmx_fio_ndoe_double(fio, item, n, (#item), __FILE__, __LINE__)
129 #define gmx_fio_ndo_gmx_bool(fio, item, n) gmx_fio_ndoe_gmx_bool(fio, item, n, (#item), __FILE__, __LINE__)
130 #define gmx_fio_ndo_int(fio, item, n) gmx_fio_ndoe_int(fio, item, n, (#item), __FILE__, __LINE__)
131 #define gmx_fio_ndo_int64(fio, item, n) gmx_fio_ndoe_int64(fio, item, n, (#item), __FILE__, __LINE__)
132 #define gmx_fio_ndo_uchar(fio, item, n) gmx_fio_ndoe_uchar(fio, item, n, (#item), __FILE__, __LINE__)
133 #define gmx_fio_ndo_ushort(fio, item, n) gmx_fio_ndoe_ushort(fio, item, n, (#item), __FILE__, __LINE__)
134 #define gmx_fio_ndo_rvec(fio, item, n) gmx_fio_ndoe_rvec(fio, item, n, (#item), __FILE__, __LINE__)
135 #define gmx_fio_ndo_ivec(fio, item, n) gmx_fio_ndoe_ivec(fio, item, n, (#item), __FILE__, __LINE__)
136 #define gmx_fio_ndo_string(fio, item, n) gmx_fio_ndoe_string(fio, item, n, (#item), __FILE__, __LINE__)
141 class FileIOXdrSerializer
: public ISerializer
144 explicit FileIOXdrSerializer(t_fileio
*fio
) : fio_(fio
) {}
146 virtual bool reading() const;
148 virtual void doBool(bool *value
);
149 virtual void doUChar(unsigned char *value
);
150 virtual void doInt(int *value
);
151 virtual void doInt64(gmx_int64_t
*value
);
152 virtual void doFloat(float *value
);
153 virtual void doDouble(double *value
);
154 virtual void doString(std::string
*value
);