Add grompp check for usage of "define" field in mdp
[gromacs.git] / src / gromacs / gmxpreprocess / gmxcpp.h
blobf85fe06b54287f0df10410a03ee3c3ea1869fa38
1 /*
2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
5 * Copyright (c) 2001-2008, The GROMACS development team.
6 * Copyright (c) 2012,2014,2015,2018,2019, 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.
38 #ifndef GMX_GMXPREPROCESS_GMXCPP_H
39 #define GMX_GMXPREPROCESS_GMXCPP_H
41 #include <string>
43 typedef struct gmx_cpp *gmx_cpp_t;
45 /* The possible return codes for these functions */
46 enum {
47 eCPP_OK, eCPP_FILE_NOT_FOUND, eCPP_EOF, eCPP_SYNTAX, eCPP_INTERRUPT,
48 eCPP_INVALID_HANDLE,
49 eCPP_FILE_NOT_OPEN, eCPP_UNKNOWN, eCPP_NR
52 /* Open the file to be processed. The handle variable holds internal
53 info for the cpp emulator. The cppopt variable (null terminated)
54 can hold cpp options like -IXXX and -DXXX. Return integer status.
56 int cpp_open_file(const char *filenm, gmx_cpp_t *handlep, char **cppopts);
58 /* Return one whole line from the file into buf which holds at most n
59 characters, for subsequent processing. Returns integer status.
61 int cpp_read_line(gmx_cpp_t *handlep, int n, char buf[]);
63 /* Return the file currently being read.
65 const char *cpp_cur_file(const gmx_cpp_t *handlep);
67 /* Return the current line number.
69 int cpp_cur_linenr(const gmx_cpp_t *handlep);
71 /* Close the file! Return integer status.
73 int cpp_close_file(gmx_cpp_t *handlep);
75 /* Return a pointer to the value of defineName, when present, nullptr othwerwise.
77 const std::string *cpp_find_define(const gmx_cpp_t *handlep,
78 const std::string &defineName);
80 /* Clean up normal and file static data structures
82 void cpp_done(gmx_cpp_t handle);
84 /* Return a string containing the error message coresponding to status
85 variable.
87 char *cpp_error(gmx_cpp_t *handlep, int status);
89 /* Returns warning message if strings defined in mdp define section (e.g. -DFLEXIBLE)
90 * were not not found when processing the topology */
91 std::string checkAndWarnForUnusedDefines(const gmx_cpp &handle);
93 #endif