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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  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 #include "sysstuff.h"
  44 #include "typedefs.h"
  45 #include "viewit.h"
  46
  47 #ifdef __cplusplus
  48 extern "C" {
  49 #endif
  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 /* Strings such as titles, lables and legends can contain escape sequences
  83  * for formatting. Currently supported are:
  84  * \s : start subscript
  85  * \S : start superscript
  86  * \N : end sub/superscript
  87  * \symbol : where symbol is the full name of a greek letter
  88  *           (see the xvgrstr function in xvgr.c for the full list)
  89  *           when starting with a capital, a capital symbol will be printed,
  90  *           note that symbol does not need to be followed by a space
  91  * \8 : (deprecated) start symbol font
  92  * \4 : (deprecated) end symbol font
  93  */
  94
  95 extern bool output_env_get_print_xvgr_codes(const output_env_t oenv);
  96 /* Returns if we should print xmgrace or xmgr codes */
  97
  98 enum {
  99   exvggtNONE, exvggtXNY, exvggtXYDY, exvggtXYDYDY, exvggtNR
 100 };
 101
 102 extern FILE *xvgropen_type(const char *fn,const char *title,const char *xaxis,
 103                            const char *yaxis,int exvg_graph_type,
 104                            const output_env_t oenv);
 105 /* Open a file, and write a title, and axis-labels in Xvgr format
 106  * or write nothing when oenv specifies so.
 107  * The xvgr graph type enum is defined above.
 108  */
 109
 110 extern FILE *xvgropen(const char *fn,const char *title,const char *xaxis,
 111                       const char *yaxis,const output_env_t oenv);
 112 /* Calls xvgropen_type with graph type xvggtXNY. */
 113
 114 /* Close xvgr file, and clean up internal file buffers correctly */
 115 extern void xvgrclose(FILE *fp);
 116
 117 extern void xvgr_subtitle(FILE *out,const char *subtitle,
 118                           const output_env_t oenv);
 119 /* Set the subtitle in xvgr */
 120
 121 extern void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax,
 122                       const output_env_t oenv);
 123 /* Set the view in xvgr */
 124
 125 extern void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax,
 126                        const output_env_t oenv);
 127 /* Set the world in xvgr */
 128
 129 extern void xvgr_legend(FILE *out,int nsets,char **setnames,
 130                         const output_env_t oenv);
 131 /* Make a legend box, and also modifies the view to make room for the legend */
 132
 133 extern void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor,
 134                             const output_env_t oenv);
 135 /* Set xvgr line styles and colors */
 136
 137 extern void xvgr_box(FILE *out,
 138                      int LocType,
 139                      real xmin,real ymin,real xmax,real ymax,
 140                      int LineStyle,int LineWidth,int LineColor,
 141                      int BoxFill,int BoxColor,int BoxPattern,
 142                      const output_env_t oenv);
 143 /* Make a box */
 144
 145 extern int read_xvg_legend(const char *fn,double ***y,int *ny,
 146                            char **subtitle,char ***legend);
 147 /* Read an xvg file for post processing. The number of rows is returned
 148  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 149  * the routine) ny is the number of columns (including X if appropriate).
 150  * If subtitle!=NULL, read the subtitle (when present),
 151  * the subtitle string will be NULL when not present.
 152  * If legend!=NULL, read the legends for the sets (when present),
 153  * 0 is the first y legend, the legend string will be NULL when not present.
 154  */
 155
 156 extern int read_xvg(const char *fn,double ***y,int *ny);
 157 /* As read_xvg_legend, but does not read legends. */
 158
 159 extern void write_xvg(const char *fn,const char *title,int nx,int ny,real **y,
 160                       char **leg, const output_env_t oenv);
 161 /* Write a two D array (y) of dimensions nx rows times
 162  * ny columns to a file. If leg != NULL it will be written too.
 163  */
 164
 165
 166 /* This function reads ascii (xvg) files and extracts the data sets to a
 167  * two dimensional array which is returned.
 168  */
 169 extern real **read_xvg_time(const char *fn,
 170                             bool bHaveT,
 171                             bool bTB,real tb,
 172                             bool bTE,real te,
 173                             int nsets_in,int *nset,int *nval,
 174                             real *dt,real **t);
 175 #ifdef __cplusplus
 176 }
 177 #endif
 178
 179 #endif  /* _xvgr_h */