src/kernel/fflibutil.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
  14
  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _fflibutil_h
  37 #define _fflibutil_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include <stdio.h>
  44 #include "typedefs.h"
  45
  46 #ifdef __cplusplus
  47 extern "C" {
  48 #endif
  49
  50 extern const char *fflib_forcefield_dir_ext();
  51 /* Returns the name of the force field directory extension */
  52
  53 extern const char *fflib_forcefield_itp();
  54 /* Returns the name of the main forcefield itp file */
  55
  56 extern const char *fflib_forcefield_doc();
  57 /* Returns the name of the forcefield documentation file */
  58
  59 extern void fflib_filename_base(const char *filename,char *filebase,int maxlen);
  60 /* Return the base file name of filename in base,
  61  * i.e. remove path and extension, if present.
  62  * base should be at least of size maxlen.
  63  */
  64
  65 extern int fflib_search_file_end(const char *ffdir,
  66                                  const char *file_end,
  67                                  gmx_bool bFatalError,
  68                                  char ***filenames);
  69 /* Search for files ending on file_end in the force field directory fflib.
  70  * fflib should be in the GROMACS lib.path.
  71  * Return the number of files and the file names in filenames.
  72  */
  73
  74 extern int fflib_search_file_in_dirend(const char *filename,const char *dirend,
  75                                        char ***dirnames);
  76 /* Search for files with name filename in subdirectories with names
  77  * ending on dirend.
  78  * Return the number of files and the directory names in dirnames.
  79  */
  80 extern gmx_bool fflib_fexist(const char *file);
  81 /* Check if a file exists in the force field library */
  82
  83 extern FILE *fflib_open(const char *file);
  84 /* Open force field library file "file" for reading.
  85  * "file" should contain the whole path to the force field library,
  86  * either absolute or relative to the current dir.
  87  */
  88
  89 #ifdef __cplusplus
  90 }
  91 #endif
  92
  93 #endif  /* _fflibutil_h */