Properly finalize MPI on mdrun -version. Fixes #1313
[gromacs.git] / include / oenv.h
blobb2620950ae70f33c673726601c016b4856515773
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39 #ifndef _oenv_h
40 #define _oenv_h
41 #include "visibility.h"
42 #include "typedefs.h"
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 {
67 exvgNULL, exvgXMGRACE, exvgXMGR, exvgNONE
68 } xvg_format_t;
69 /* the xvg output formattings */
72 struct output_env
74 time_unit_t time_unit; /* the time unit, enum defined in statuti.h */
75 gmx_bool view; /* view of file requested */
76 xvg_format_t xvg_format; /* xvg output format, enum defined in statutil.h */
77 int verbosity; /* The level of verbosity for this program */
78 int debug_level; /* the debug level */
80 char *program_name; /* the program name */
81 char *cmd_line; /* the re-assembled command line */
85 void output_env_init(output_env_t oenv, int argc, char *argv[],
86 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
87 int verbosity, int debug_level);
88 /* initialize an output_env structure, setting the command line,
89 the default time value a gmx_boolean view that is set to TRUE when the
90 user requests direct viewing of graphs,
91 the graph formatting type, the verbosity, and debug level */
93 void output_env_init_default(output_env_t oenv);
94 /* initialize an output_env structure, with reasonable default settings.
95 (the time unit is set to time_ps, which means no conversion). */
97 void output_env_done(output_env_t oenv);
98 /* free memory allocated for an output_env structure. */
101 int output_env_get_verbosity(const output_env_t oenv);
102 /* return the verbosity */
104 int output_env_get_debug_level(const output_env_t oenv);
105 /* return the debug level */
107 GMX_LIBGMX_EXPORT
108 const char *output_env_get_time_unit(const output_env_t oenv);
109 /* return time unit (e.g. ps or ns) */
111 GMX_LIBGMX_EXPORT
112 const char *output_env_get_time_label(const output_env_t oenv);
113 /* return time unit label (e.g. "Time (ps)") */
115 GMX_LIBGMX_EXPORT
116 const char *output_env_get_xvgr_tlabel(const output_env_t oenv);
117 /* retrun x-axis time label for xmgr */
119 GMX_LIBGMX_EXPORT
120 real output_env_get_time_factor(const output_env_t oenv);
121 /* return time conversion factor from ps (i.e. 1e-3 for ps->ns) */
123 GMX_LIBGMX_EXPORT
124 real output_env_get_time_invfactor(const output_env_t oenv);
125 /* return inverse time conversion factor from ps (i.e. 1e3 for ps->ns) */
127 GMX_LIBGMX_EXPORT
128 real output_env_conv_time(const output_env_t oenv, real time);
129 /* return converted time */
131 GMX_LIBGMX_EXPORT
132 void output_env_conv_times(const output_env_t oenv, int n, real *time);
133 /* convert array of times */
135 gmx_bool output_env_get_view(const output_env_t oenv);
136 /* Return TRUE when user requested viewing of the file */
139 GMX_LIBGMX_EXPORT
140 xvg_format_t output_env_get_xvg_format(const output_env_t oenv);
141 /* Returns enum (see above) for xvg output formatting */
143 const char *output_env_get_program_name(const output_env_t oenv);
144 /* return the program name */
146 const char *output_env_get_cmd_line(const output_env_t oenv);
147 /* return the command line */
149 const char *output_env_get_short_program_name(const output_env_t oenv);
150 /* get the short version (without path component) of the program name */
154 #ifdef __cplusplus
156 #endif
158 #endif