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.
  19  *
  20  * If you want to redistribute modifications, please consider that
  21  * scientific software is very special. Version control is crucial -
  22  * bugs must be traceable. We will be happy to consider code for
  23  * inclusion in the official distribution, but derived work must not
  24  * be called official GROMACS. Details are found in the README & COPYING
  25  * files - if they are missing, get the official version at www.gromacs.org.
  26  *
  27  * To help us fund GROMACS development, we humbly ask that you cite
  28  * the papers on the package - you can find them in the top README file.
  29  *
  30  * For more info, check our website at http://www.gromacs.org
  31  *
  32  * And Hey:
  33  * Gromacs Runs On Most of All Computer Systems
  34  */
  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 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,
  86                       const char *yaxis,const output_env_t oenv);
  87 /* Open a file, and write a title, and axis-labels in Xvgr format */
  88
  89 /* Close xvgr file, and clean up internal file buffers correctly */
  90 extern void xvgrclose(FILE *fp);
  91
  92 extern void xvgr_subtitle(FILE *out,const char *subtitle,
  93                           const output_env_t oenv);
  94 /* Set the subtitle in xvgr */
  95
  96 extern void xvgr_view(FILE *out,real xmin,real ymin,real xmax,real ymax,
  97                       const output_env_t oenv);
  98 /* Set the view in xvgr */
  99
 100 extern void xvgr_world(FILE *out,real xmin,real ymin,real xmax,real ymax,
 101                        const output_env_t oenv);
 102 /* Set the world in xvgr */
 103
 104 extern void xvgr_legend(FILE *out,int nsets,char **setnames,
 105                         const output_env_t oenv);
 106 /* Make a legend box, and also modifies the view to make room for the legend */
 107
 108 extern void xvgr_line_props(FILE *out,int NrSet,int LineStyle,int LineColor,
 109                             const output_env_t oenv);
 110 /* Set xvgr line styles and colors */
 111
 112 extern void xvgr_box(FILE *out,
 113                      int LocType,
 114                      real xmin,real ymin,real xmax,real ymax,
 115                      int LineStyle,int LineWidth,int LineColor,
 116                      int BoxFill,int BoxColor,int BoxPattern,
 117                      const output_env_t oenv);
 118 /* Make a box */
 119
 120 extern int read_xvg_legend(const char *fn,double ***y,int *ny,char ***legend);
 121 /* Read an xvg file for post processing. The number of rows is returned
 122  * fn is the filename, y is a pointer to a 2D array (to be allocated by
 123  * the routine) ny is the number of columns (including X if appropriate).
 124  * If legend!=NULL, read the legends for the sets (when present),
 125  * 0 is the first y legend, the legend string will be NULL when not present.
 126  */
 127
 128 extern int read_xvg(const char *fn,double ***y,int *ny);
 129 /* As read_xvg_legend, but does not read legends. */
 130
 131 extern void write_xvg(const char *fn,const char *title,int nx,int ny,real **y,
 132                       char **leg, const output_env_t oenv);
 133 /* Write a two D array (y) of dimensions nx rows times
 134  * ny columns to a file. If leg != NULL it will be written too.
 135  */
 136
 137
 138 /* This function reads ascii (xvg) files and extracts the data sets to a
 139  * two dimensional array which is returned.
 140  */
 141 extern real **read_xvg_time(const char *fn,
 142                             bool bHaveT,
 143                             bool bTB,real tb,
 144                             bool bTE,real te,
 145                             int nsets_in,int *nset,int *nval,
 146                             real *dt,real **t);
 147 #ifdef __cplusplus
 148 }
 149 #endif
 150
 151 #endif  /* _xvgr_h */