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