Added selection examples.
[gromacs/qmmm-gamess-us.git] / include / oenv.h
blob617575a772d6950f2f5818c7cfe7aedeec7231ab
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36 #ifndef _oenv_h
37 #define _oenv_h
39 #ifdef HAVE_CONFIG_H
40 #include <config.h>
41 #endif
44 #ifdef __cplusplus
45 extern "C" {
46 #endif
47 #if 0 /* avoid screwing up indentation */
49 #endif
52 /* output_env member functions */
54 /* The output_env structure holds information about program name, cmd line,
55 default times, etc.
57 There are still legacy functions for the program name, and the command
58 line, but the output_env versions are now preferred.*/
60 typedef enum
62 timeNULL, time_fs, time_ps, time_ns, time_us, time_ms, time_s
63 } time_unit_t;
64 /* the time units. For the time being, ps means no conversion. */
66 typedef enum { exvgNULL, exvgXMGRACE, exvgXMGR, exvgNONE } xvg_format_t;
67 /* the xvg output formattings */
70 struct output_env
72 time_unit_t time_unit; /* the time unit, enum defined in statuti.h */
73 bool view; /* view of file requested */
74 xvg_format_t xvg_format; /* xvg output format, enum defined in statutil.h */
75 int verbosity; /* The level of verbosity for this program */
76 int debug_level; /* the debug level */
78 const char *program_name; /* the program name */
79 char *cmd_line; /* the re-assembled command line */
83 void output_env_init(output_env_t oenv, int argc, char *argv[],
84 time_unit_t tmu, bool view, xvg_format_t xvg_format,
85 int verbosity, int debug_level);
86 /* initialize an output_env structure, setting the command line,
87 the default time value a boolean view that is set to TRUE when the
88 user requests direct viewing of graphs,
89 the graph formatting type, the verbosity, and debug level */
91 void output_env_init_default(output_env_t oenv);
92 /* initialize an output_env structure, with reasonable default settings.
93 (the time unit is set to time_ps, which means no conversion). */
96 extern int output_env_get_verbosity(const output_env_t oenv);
97 /* return the verbosity */
99 extern int output_env_get_debug_level(const output_env_t oenv);
100 /* return the debug level */
102 extern const char *output_env_get_time_unit(const output_env_t oenv);
103 /* return time unit (e.g. ps or ns) */
105 extern const char *output_env_get_time_label(const output_env_t oenv);
106 /* return time unit label (e.g. "Time (ps)") */
108 extern const char *output_env_get_xvgr_tlabel(const output_env_t oenv);
109 /* retrun x-axis time label for xmgr */
111 extern real output_env_get_time_factor(const output_env_t oenv);
112 /* return time conversion factor from ps (i.e. 1e-3 for ps->ns) */
114 extern real output_env_get_time_invfactor(const output_env_t oenv);
115 /* return inverse time conversion factor from ps (i.e. 1e3 for ps->ns) */
117 extern real output_env_conv_time(const output_env_t oenv, real time);
118 /* return converted time */
120 extern void output_env_conv_times(const output_env_t oenv, int n, real *time);
121 /* convert array of times */
123 extern bool output_env_get_view(const output_env_t oenv);
124 /* Return TRUE when user requested viewing of the file */
127 extern xvg_format_t output_env_get_xvg_format(const output_env_t oenv);
128 /* Returns enum (see above) for xvg output formatting */
130 extern const char *output_env_get_program_name(const output_env_t oenv);
131 /* return the program name */
133 extern const char *output_env_get_cmd_line(const output_env_t oenv);
134 /* return the command line */
136 extern const char *output_env_get_short_program_name(const output_env_t oenv);
137 /* get the short version (without path component) of the program name */
141 #ifdef __cplusplus
143 #endif
145 #endif