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.
  11  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  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 #ifdef HAVE_CONFIG_H
  40 #include <config.h>
  41 #endif
  42
  43 #include "typedefs.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48 #if 0 /* avoid screwing up indentation */
  49 }
  50 #endif
  51
  52
  53 /* output_env member functions */
  54
  55 /* The output_env structure holds information about program name, cmd line,
  56    default times, etc.
  57
  58    There are still legacy functions for the program name, and the command
  59    line, but the output_env versions are now preferred.*/
  60
  61 typedef enum
  62 {
  63     timeNULL, time_fs, time_ps, time_ns, time_us, time_ms, time_s
  64 } time_unit_t;
  65 /* the time units. For the time being, ps means no conversion. */
  66
  67 typedef enum { exvgNULL, exvgXMGRACE, exvgXMGR, exvgNONE } xvg_format_t;
  68 /* the xvg output formattings */
  69
  70
  71 struct output_env
  72 {
  73     time_unit_t time_unit; /* the time unit, enum defined in statuti.h */
  74     bool view;  /* view of file requested */
  75     xvg_format_t xvg_format; /* xvg output format, enum defined in statutil.h */
  76     int  verbosity; /* The level of verbosity for this program */
  77     int debug_level; /* the debug level */
  78
  79     char *program_name; /* the program name */
  80     char *cmd_line; /* the re-assembled command line */
  81 };
  82
  83
  84 void output_env_init(output_env_t oenv,  int argc, char *argv[],
  85                      time_unit_t tmu, bool view, xvg_format_t xvg_format,
  86                      int verbosity, int debug_level);
  87 /* initialize an output_env structure, setting the command line,
  88    the default time value a boolean view that is set to TRUE when the
  89    user requests direct viewing of graphs,
  90    the graph formatting type, the verbosity, and debug level */
  91
  92 void output_env_init_default(output_env_t oenv);
  93 /* initialize an output_env structure, with reasonable default settings.
  94     (the time unit is set to time_ps, which means no conversion).  */
  95
  96 extern void output_env_done(output_env_t oenv);
  97 /* free memory allocated for an output_env structure. */
  98
  99
 100 extern int output_env_get_verbosity(const output_env_t oenv);
 101 /* return the verbosity */
 102
 103 extern int output_env_get_debug_level(const output_env_t oenv);
 104 /* return the debug level */
 105
 106 extern const char *output_env_get_time_unit(const output_env_t oenv);
 107 /* return time unit (e.g. ps or ns) */
 108
 109 extern const char *output_env_get_time_label(const output_env_t oenv);
 110 /* return time unit label (e.g. "Time (ps)") */
 111
 112 extern const char *output_env_get_xvgr_tlabel(const output_env_t oenv);
 113 /* retrun x-axis time label for xmgr */
 114
 115 extern real output_env_get_time_factor(const output_env_t oenv);
 116 /* return time conversion factor from ps (i.e. 1e-3 for ps->ns) */
 117
 118 extern real output_env_get_time_invfactor(const output_env_t oenv);
 119 /* return inverse time conversion factor from ps (i.e. 1e3 for ps->ns) */
 120
 121 extern real output_env_conv_time(const output_env_t oenv, real time);
 122 /* return converted time */
 123
 124 extern void output_env_conv_times(const output_env_t oenv, int n, real *time);
 125 /* convert array of times */
 126
 127 extern bool output_env_get_view(const output_env_t oenv);
 128 /* Return TRUE when user requested viewing of the file */
 129
 130
 131 extern xvg_format_t output_env_get_xvg_format(const output_env_t oenv);
 132 /* Returns enum (see above) for xvg output formatting */
 133
 134 extern const char *output_env_get_program_name(const output_env_t oenv);
 135 /* return the program name */
 136
 137 extern const char *output_env_get_cmd_line(const output_env_t oenv);
 138 /* return the command line */
 139
 140 extern const char *output_env_get_short_program_name(const output_env_t oenv);
 141 /* get the short version (without path component) of the program name */
 142
 143
 144
 145 #ifdef __cplusplus
 146 }
 147 #endif
 148
 149 #endif