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 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
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  36
  37 #ifndef _xvgr_h
  38 #define _xvgr_h
  39
  40 #ifdef HAVE_CONFIG_H
  41 #include <config.h>
  42 #endif
  43
  44 #ifdef CPLUSPLUS
  45 extern "C" {
  46 #endif
  47
  48 #include "sysstuff.h"
  49 #include "typedefs.h"
  50 #include "viewit.h"
  51
  52 /***************************************************
  53  *            XVGR   DEFINITIONS
  54  ***************************************************/
  55 enum {
  56   elNone, elSolid, elDotted, elDashed,
  57   elLongDashed, elDotDashed, elNR
  58 };
  59 /* xvgr line-styles */
  60
  61 enum {
  62   ecWhite, ecFrank, ecBlack=ecFrank,
  63   ecRed, ecGreen, ecBlue, ecYellow, ecBrown, ecGray,
  64   ecPurple, ecLightBlue, ecViolet, ecHolland, ecLila, ecDarkGray,
  65   ecAquamarine, ecOlive, ecNR
  66 };
  67 /* xvgr line-colors */
  68
  69 enum {
  70   eppNone, eppColor, eppPattern, eppNR
  71 };
  72 /* xvgr pattern type */
  73
  74 enum {
  75   evView, evWorld, evNR
  76 };
  77 /* view type */
  78
  79 /***************************************************
  80  *            XVGR   ROUTINES
  81  ***************************************************/
  82
  83 extern FILE *xvgropen(const char *fn,const char *title,const char *xaxis,const char *yaxis);
  84 /* Open a file, and write a title, and axis-labels in Xvgr format */
  85
  86 extern void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax);
  87 /* Set the view in xvgr */
  88
  89 extern void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax);
  90 /* Set the world in xvgr */
  91
  92 extern void xvgr_legend(FILE *out,int nsets,char *setname[]);
  93 /* Make a legend box, and also modifies the view to make room for the legend */
  94
  95 extern void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor);
  96 /* Set xvgr line styles and colors */
  97
  98 extern void xvgr_box(FILE *out,
  99                      int LocType,
 100                      real xmin,real ymin,real xmax,real ymax,
 101                      int LineStyle,int LineWidth,int LineColor,
 102                      int BoxFill,int BoxColor,int BoxPattern);
 103 /* Make a box */
 104
 105 extern int read_xvg(const char *fn,real ***y,int *ny);
 106 /* Read an xvg file for post processing. The number of rows is returned
 107  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 108  * the routine) ny is the number of columns (including X if appropriate)
 109  */
 110
 111 extern void write_xvg(char *fn,char *title,int nx,int ny,real **y,char **leg);
 112 /* Write a two D array (y) of dimensions nx rows times
 113  * ny columns to a file. If leg != NULL it will be written too.
 114  */
 115
 116 /****************************************************
 117  *           Some statistics utilities
 118  ****************************************************/
 119 extern void lsq_y_ax(int n, real x[], real y[], real *a);
 120 /* Fit a straight line y=ax thru the n data points x,y. */
 121
 122 extern real lsq_y_ax_b(int n, real x[], real y[], real *a, real *b);
 123 /* Fit a straight line y=ax+b thru the n data points x,y.
 124  * Returns the "fit quality" sigma = sqrt(chi^2/(n-2)).
 125  */
 126
 127 #ifdef CPLUSPLUS
 128 }
 129 #endif
 130
 131 #endif  /* _xvgr_h */