src/gromacs/fileio/xvgr.h

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