include/xvgr.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 _xvgr_h
  31 #define _xvgr_h
  32
  33 static char *SRCID_xvgr_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) xvgr.h 1.8 7/28/97"
  37 #endif /* HAVE_IDENT */
  38
  39 #ifdef CPLUSPLUS
  40 extern "C" {
  41 #endif
  42
  43 #include "sysstuff.h"
  44 #include "typedefs.h"
  45 /***************************************************
  46  *            XGraph routines
  47  ***************************************************/
  48 extern FILE *xgopen(char *fn,char *header,char *title,char *xaxis,char *yaxis);
  49 /* Open a file, and write a title, and axis-labels in XGraph format */
  50
  51 extern void xgraph_file(char *fn,char *opts);
  52 /* Starts xgraph with a file fn in the background,
  53  * opts (options to xgraph) may be NULL
  54  */
  55
  56 /***************************************************
  57  *            XVGR   DEFINITIONS
  58  ***************************************************/
  59 enum {
  60   elNone, elSolid, elDotted, elDashed,
  61   elLongDashed, elDotDashed, elNR
  62 };
  63 /* xvgr line-styles */
  64
  65 enum {
  66   ecWhite, ecFrank, ecBlack=ecFrank,
  67   ecRed, ecGreen, ecBlue, ecYellow, ecBrown, ecGray,
  68   ecPurple, ecLightBlue, ecViolet, ecHolland, ecLila, ecDarkGray,
  69   ecAquamarine, ecOlive, ecNR
  70 };
  71 /* xvgr line-colors */
  72
  73 enum {
  74   eppNone, eppColor, eppPattern, eppNR
  75 };
  76 /* xvgr pattern type */
  77
  78 enum {
  79   evView, evWorld, evNR
  80 };
  81 /* view type */
  82
  83 /***************************************************
  84  *            XVGR   ROUTINES
  85  ***************************************************/
  86
  87 extern FILE *xvgropen(char *fn,char *title,char *xaxis,char *yaxis);
  88 /* Open a file, and write a title, and axis-labels in Xvgr format */
  89
  90 extern void xvgr_file(char *fn,char *opts);
  91 /* Starts xvgr with a file fn in the background,
  92  * opts (options to xvgr) may be NULL
  93  */
  94
  95 extern void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax);
  96 /* Set the view in xvgr */
  97
  98 extern void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax);
  99 /* Set the world in xvgr */
 100
 101 extern void xvgr_legend(FILE *out,int nsets,char *setname[]);
 102 /* Make a legend box, and also modifies the view to make room for the legend */
 103
 104 extern void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor);
 105 /* Set xvgr line styles and colors */
 106
 107 extern void xvgr_box(FILE *out,
 108                      int LocType,
 109                      real xmin,real ymin,real xmax,real ymax,
 110                      int LineStyle,int LineWidth,int LineColor,
 111                      int BoxFill,int BoxColor,int BoxPattern);
 112 /* Make a box */
 113
 114 extern int read_xvg(char *fn,real ***y,int *ny);
 115 /* Read an xvg file for post processing. The number of rows is returned
 116  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 117  * the routine) ny is the number of columns (including X if appropriate)
 118  */
 119
 120 extern void dump_xvg(char *fn,char *title,int nx,int ny,real **y);
 121 /* Quicly dump a two D array (y) of dimensions nx rows times
 122  * ny columns to a file.
 123  */
 124
 125 /***************************************************
 126  *            XV  ROUTINES
 127  ***************************************************/
 128 extern void xv_file(char *fn,char *opts);
 129 /* View a file using xv */
 130
 131 /****************************************************
 132  *           Some statistics utilities
 133  ****************************************************/
 134 extern void lsq_y_ax(int n, real x[], real y[], real *a);
 135 /* Fit a straight line y=ax thru the n data points x,y */
 136
 137 extern void lsq_y_ax_b(int n, real x[], real y[], real *a, real *b);
 138 /* Fit a straight line y=ax+b thru the n data points x,y */
 139
 140 #ifdef CPLUSPLUS
 141 }
 142 #endif
 143
 144 #endif  /* _xvgr_h */