include/xvgr.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
   8  *
   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
  16  * modify it under the terms of the GNU General Public License
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  18  * of the License, or (at your option) any later version.
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  21  * scientific software is very special. Version control is crucial -
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  35
  36 #ifndef _xvgr_h
  37 #define _xvgr_h
  38
  39 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 #include "sysstuff.h"
  48 #include "typedefs.h"
  49 #include "viewit.h"
  50
  51 /***************************************************
  52  *            XVGR   DEFINITIONS
  53  ***************************************************/
  54 enum {
  55   elNone, elSolid, elDotted, elDashed,
  56   elLongDashed, elDotDashed, elNR
  57 };
  58 /* xvgr line-styles */
  59
  60 enum {
  61   ecWhite, ecFrank, ecBlack=ecFrank,
  62   ecRed, ecGreen, ecBlue, ecYellow, ecBrown, ecGray,
  63   ecPurple, ecLightBlue, ecViolet, ecHolland, ecLila, ecDarkGray,
  64   ecAquamarine, ecOlive, ecNR
  65 };
  66 /* xvgr line-colors */
  67
  68 enum {
  69   eppNone, eppColor, eppPattern, eppNR
  70 };
  71 /* xvgr pattern type */
  72
  73 enum {
  74   evView, evWorld, evNR
  75 };
  76 /* view type */
  77
  78 /***************************************************
  79  *            XVGR   ROUTINES
  80  ***************************************************/
  81
  82 extern bool use_xmgr(void);
  83 /* Returns if we use xmgr instead of xmgrace */
  84
  85 extern FILE *xvgropen(const char *fn,const char *title,const char *xaxis,const char *yaxis);
  86 /* Open a file, and write a title, and axis-labels in Xvgr format */
  87
  88 /* Close xvgr file, and clean up internal file buffers correctly */
  89 extern void xvgrclose(FILE *fp);
  90
  91 extern void xvgr_subtitle(FILE *out,const char *subtitle);
  92 /* Set the subtitle in xvgr */
  93
  94 extern void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax);
  95 /* Set the view in xvgr */
  96
  97 extern void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax);
  98 /* Set the world in xvgr */
  99
 100 extern void xvgr_legend(FILE *out,int nsets,char **setnames);
 101 /* Make a legend box, and also modifies the view to make room for the legend */
 102
 103 extern void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor);
 104 /* Set xvgr line styles and colors */
 105
 106 extern void xvgr_box(FILE *out,
 107                      int LocType,
 108                      real xmin,real ymin,real xmax,real ymax,
 109                      int LineStyle,int LineWidth,int LineColor,
 110                      int BoxFill,int BoxColor,int BoxPattern);
 111 /* Make a box */
 112
 113 extern int read_xvg_legend(const char *fn,double ***y,int *ny,char ***legend);
 114 /* Read an xvg file for post processing. The number of rows is returned
 115  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 116  * the routine) ny is the number of columns (including X if appropriate).
 117  * If legend!=NULL, read the legends for the sets (when present),
 118  * 0 is the first y legend, the legend string will be NULL when not present.
 119  */
 120
 121 extern int read_xvg(const char *fn,double ***y,int *ny);
 122 /* As read_xvg_legend, but does not read legends. */
 123
 124 extern void write_xvg(const char *fn,const char *title,int nx,int ny,real **y,
 125                      char ** leg);
 126 /* Write a two D array (y) of dimensions nx rows times
 127  * ny columns to a file. If leg != NULL it will be written too.
 128  */
 129
 130
 131 /* This function reads ascii (xvg) files and extracts the data sets to a
 132  * two dimensional array which is returned.
 133  */
 134 extern real **read_xvg_time(char *fn,
 135                             bool bHaveT,
 136                             bool bTB,real tb,
 137                             bool bTE,real te,
 138                             int nsets_in,int *nset,int *nval,
 139                             real *dt,real **t);
 140 #ifdef __cplusplus
 141 }
 142 #endif
 143
 144 #endif  /* _xvgr_h */