include/statusio.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 #ifndef _statusio_h
  31 #define _statusio_h
  32
  33 static char *SRCID_statusio_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) statusio.h 1.46 2/2/97"
  37 #endif /* HAVE_IDENT */
  38
  39 #include "typedefs.h"
  40 #include "sheader.h"
  41
  42 /*
  43  * This module handles status file io. All read and write operations from
  44  * and to a status file should use this functions to be independent of the
  45  * actual file layout (text versus binary file).
  46  */
  47 #ifdef CPLUSPLUS
  48 extern "C" {
  49 #endif
  50
  51 extern size_t wr_status(FILE *fp,int step,real t,real lambda,
  52                         t_inputrec *ir,rvec *box,rvec *vir,rvec *pres,
  53                         int natoms,rvec *x,rvec *v,rvec *f,
  54                         int nre,t_energy *e,t_topology *top);
  55 /*
  56  * Writes a complete status to the file, specified by fp. NULL pointers
  57  * indicate that this field should not be written. The function returns
  58  * the number of bytes written.
  59  */
  60
  61 extern char *rd_hstatus(FILE *fp,t_statheader *sh,int *step,real *t,
  62                         real *lambda,t_inputrec *ir,rvec *box,
  63                         rvec *vir,rvec *pres,int *natoms,
  64                         rvec *x,rvec *v,rvec *f,int *nre,t_energy *e,
  65                         t_topology *top);
  66 /*
  67  * Reads a complete status from the file, specified by fp. It uses
  68  * the status header to find the items in the file, also the file
  69  * should be positioned right for reading the first item. The function
  70  * returns the version string from the header.
  71  */
  72
  73 extern char *rd_status(FILE *fp,int *step,real *t,real *lambda,
  74                        t_inputrec *ir,rvec *box,rvec *vir,rvec *pres,
  75                        int *natoms,rvec *x,
  76                        rvec *v,rvec *f,int *nre,t_energy *e,
  77                        t_topology *top);
  78 /*
  79  * Reads a complete status from the file, specified by fp. First it
  80  * reads the header and then invokes rd_hstatus() to read the rest
  81  * of the status. It returns the version returned from rd_hstatus().
  82  */
  83
  84 extern void write_status(char *fn,int step,real t,real lambda,t_inputrec *ir,
  85                          rvec *box,rvec *vir,rvec *pres,
  86                          int natoms,rvec *x,rvec *v,rvec *f,
  87                          int nre,t_energy *e,t_topology *top);
  88 /*
  89  * Writes a complete status to the file, specified by fn. NULL pointers
  90  * indicate that this field should not be written.
  91  */
  92
  93 extern char *read_status(char *fn,int *step,real *t,real *lambda,
  94                          t_inputrec *ir,rvec *box,rvec *vir,rvec *pres,
  95                          int *natoms,rvec *x,
  96                          rvec *v,rvec *f,int *nre,t_energy *e,
  97                          t_topology *top);
  98 /*
  99  * Reads a complete status from the file, specified by fn. It returns
 100  * the version returned from rd_hstatus().
 101  */
 102
 103 extern void read_status_header(char *fn,t_statheader *header);
 104 /*
 105  * Reads a (status) header from the file, specified by fn. If
 106  * available, it returns the version string from the file, else
 107  * it returns a version string from the statusio module.
 108  */
 109
 110 #ifdef CPLUSPLUS
 111 }
 112 #endif
 113
 114 #endif  /* _statusio_h */