include/oenv.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
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   9  *                        VERSION 3.2.0
  10  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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  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
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  35
  36 #ifndef _oenv_h
  37 #define _oenv_h
  38
  39 #include "typedefs.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44 #if 0 /* avoid screwing up indentation */
  45 }
  46 #endif
  47
  48
  49 /* output_env member functions */
  50
  51 /* The output_env structure holds information about program name, cmd line,
  52    default times, etc.
  53
  54    There are still legacy functions for the program name, and the command
  55    line, but the output_env versions are now preferred.*/
  56
  57 typedef enum
  58 {
  59     timeNULL, time_fs, time_ps, time_ns, time_us, time_ms, time_s
  60 } time_unit_t;
  61 /* the time units. For the time being, ps means no conversion. */
  62
  63 typedef enum { exvgNULL, exvgXMGRACE, exvgXMGR, exvgNONE } xvg_format_t;
  64 /* the xvg output formattings */
  65
  66
  67 struct output_env
  68 {
  69     time_unit_t time_unit; /* the time unit, enum defined in statuti.h */
  70     gmx_bool view;  /* view of file requested */
  71     xvg_format_t xvg_format; /* xvg output format, enum defined in statutil.h */
  72     int  verbosity; /* The level of verbosity for this program */
  73     int debug_level; /* the debug level */
  74
  75     char *program_name; /* the program name */
  76     char *cmd_line; /* the re-assembled command line */
  77 };
  78
  79
  80 void output_env_init(output_env_t oenv,  int argc, char *argv[],
  81                      time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
  82                      int verbosity, int debug_level);
  83 /* initialize an output_env structure, setting the command line,
  84    the default time value a gmx_boolean view that is set to TRUE when the
  85    user requests direct viewing of graphs,
  86    the graph formatting type, the verbosity, and debug level */
  87
  88 void output_env_init_default(output_env_t oenv);
  89 /* initialize an output_env structure, with reasonable default settings.
  90     (the time unit is set to time_ps, which means no conversion).  */
  91
  92 void output_env_done(output_env_t oenv);
  93 /* free memory allocated for an output_env structure. */
  94
  95
  96 int output_env_get_verbosity(const output_env_t oenv);
  97 /* return the verbosity */
  98
  99 int output_env_get_debug_level(const output_env_t oenv);
 100 /* return the debug level */
 101
 102 const char *output_env_get_time_unit(const output_env_t oenv);
 103 /* return time unit (e.g. ps or ns) */
 104
 105 const char *output_env_get_time_label(const output_env_t oenv);
 106 /* return time unit label (e.g. "Time (ps)") */
 107
 108 const char *output_env_get_xvgr_tlabel(const output_env_t oenv);
 109 /* retrun x-axis time label for xmgr */
 110
 111 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) */
 113
 114 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) */
 116
 117 real output_env_conv_time(const output_env_t oenv, real time);
 118 /* return converted time */
 119
 120 void output_env_conv_times(const output_env_t oenv, int n, real *time);
 121 /* convert array of times */
 122
 123 gmx_bool output_env_get_view(const output_env_t oenv);
 124 /* Return TRUE when user requested viewing of the file */
 125
 126
 127 xvg_format_t output_env_get_xvg_format(const output_env_t oenv);
 128 /* Returns enum (see above) for xvg output formatting */
 129
 130 const char *output_env_get_program_name(const output_env_t oenv);
 131 /* return the program name */
 132
 133 const char *output_env_get_cmd_line(const output_env_t oenv);
 134 /* return the command line */
 135
 136 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 */
 138
 139
 140
 141 #ifdef __cplusplus
 142 }
 143 #endif
 144
 145 #endif