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
  17  * as published by the Free Software Foundation; either version 2
  18  * of the License, or (at your option) any later version.
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  35
  36 #ifndef _xvgr_h
  37 #define _xvgr_h
  38
  39 #include "sysstuff.h"
  40 #include "typedefs.h"
  41 #include "viewit.h"
  42
  43 #ifdef __cplusplus
  44 extern "C" {
  45 #endif
  46
  47 /***************************************************
  48  *            XVGR   DEFINITIONS
  49  ***************************************************/
  50 enum {
  51   elNone, elSolid, elDotted, elDashed,
  52   elLongDashed, elDotDashed, elNR
  53 };
  54 /* xvgr line-styles */
  55
  56 enum {
  57   ecWhite, ecFrank, ecBlack=ecFrank,
  58   ecRed, ecGreen, ecBlue, ecYellow, ecBrown, ecGray,
  59   ecPurple, ecLightBlue, ecViolet, ecHolland, ecLila, ecDarkGray,
  60   ecAquamarine, ecOlive, ecNR
  61 };
  62 /* xvgr line-colors */
  63
  64 enum {
  65   eppNone, eppColor, eppPattern, eppNR
  66 };
  67 /* xvgr pattern type */
  68
  69 enum {
  70   evView, evWorld, evNR
  71 };
  72 /* view type */
  73
  74 /***************************************************
  75  *            XVGR   ROUTINES
  76  ***************************************************/
  77
  78 /* Strings such as titles, lables and legends can contain escape sequences
  79  * for formatting. Currently supported are:
  80  * \s : start subscript
  81  * \S : start superscript
  82  * \N : end sub/superscript
  83  * \symbol : where symbol is the full name of a greek letter
  84  *           (see the xvgrstr function in xvgr.c for the full list)
  85  *           when starting with a capital, a capital symbol will be printed,
  86  *           note that symbol does not need to be followed by a space
  87  * \8 : (deprecated) start symbol font
  88  * \4 : (deprecated) end symbol font
  89  */
  90
  91 gmx_bool output_env_get_print_xvgr_codes(const output_env_t oenv);
  92 /* Returns if we should print xmgrace or xmgr codes */
  93
  94 enum {
  95   exvggtNONE, exvggtXNY, exvggtXYDY, exvggtXYDYDY, exvggtNR
  96 };
  97
  98 void xvgr_header(FILE *fp,const char *title,const char *xaxis,
  99                         const char *yaxis,int exvg_graph_type,
 100                         const output_env_t oenv);
 101 /* In most cases you want to use xvgropen_type, which does the same thing
 102  * but takes a filename and opens it.
 103  */
 104
 105 FILE *xvgropen_type(const char *fn,const char *title,const char *xaxis,
 106                            const char *yaxis,int exvg_graph_type,
 107                            const output_env_t oenv);
 108 /* Open a file, and write a title, and axis-labels in Xvgr format
 109  * or write nothing when oenv specifies so.
 110  * The xvgr graph type enum is defined above.
 111  */
 112
 113 FILE *xvgropen(const char *fn,const char *title,const char *xaxis,
 114                       const char *yaxis,const output_env_t oenv);
 115 /* Calls xvgropen_type with graph type xvggtXNY. */
 116
 117 /* Close xvgr file, and clean up internal file buffers correctly */
 118 void xvgrclose(FILE *fp);
 119
 120 void xvgr_subtitle(FILE *out,const char *subtitle,
 121                           const output_env_t oenv);
 122 /* Set the subtitle in xvgr */
 123
 124 void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax,
 125                       const output_env_t oenv);
 126 /* Set the view in xvgr */
 127
 128 void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax,
 129                        const output_env_t oenv);
 130 /* Set the world in xvgr */
 131
 132 void xvgr_legend(FILE *out,int nsets,const char** setnames,
 133                  const output_env_t oenv);
 134 /* Make a legend box, and also modifies the view to make room for the legend */
 135
 136
 137 void xvgr_new_dataset(FILE *out,
 138                       int nr_first, int nsets, const char **setnames,
 139                       const output_env_t oenv);
 140 /* End the previous data set(s) and start new one(s).
 141     nr_first = the global set number of the first new set (or 0 if no legend)
 142     nsets = the number of sets (or 0 if no legends)
 143     setnames = the set names (or NULL if no legends)
 144 */
 145
 146 void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor,
 147                             const output_env_t oenv);
 148 /* Set xvgr line styles and colors */
 149
 150 void xvgr_box(FILE *out,
 151                      int LocType,
 152                      real xmin,real ymin,real xmax,real ymax,
 153                      int LineStyle,int LineWidth,int LineColor,
 154                      int BoxFill,int BoxColor,int BoxPattern,
 155                      const output_env_t oenv);
 156 /* Make a box */
 157
 158 int read_xvg_legend(const char *fn,double ***y,int *ny,
 159                            char **subtitle,char ***legend);
 160 /* Read an xvg file for post processing. The number of rows is returned
 161  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 162  * the routine) ny is the number of columns (including X if appropriate).
 163  * If subtitle!=NULL, read the subtitle (when present),
 164  * the subtitle string will be NULL when not present.
 165  * If legend!=NULL, read the legends for the sets (when present),
 166  * 0 is the first y legend, the legend string will be NULL when not present.
 167  */
 168
 169 int read_xvg(const char *fn,double ***y,int *ny);
 170 /* As read_xvg_legend, but does not read legends. */
 171
 172 void write_xvg(const char *fn,const char *title,int nx,int ny,real **y,
 173                       const char** leg, const output_env_t oenv);
 174 /* Write a two D array (y) of dimensions nx rows times
 175  * ny columns to a file. If leg != NULL it will be written too.
 176  */
 177
 178
 179 /* This function reads ascii (xvg) files and extracts the data sets to a
 180  * two dimensional array which is returned.
 181  */
 182 real **read_xvg_time(const char *fn,
 183                             gmx_bool bHaveT,
 184                             gmx_bool bTB,real tb,
 185                             gmx_bool bTE,real te,
 186                             int nsets_in,int *nset,int *nval,
 187                             real *dt,real **t);
 188 #ifdef __cplusplus
 189 }
 190 #endif
 191
 192 #endif  /* _xvgr_h */