src/gromacs/legacyheaders/oenv.h

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  37
  38 #ifndef _oenv_h
  39 #define _oenv_h
  40
  41 #include "gromacs/legacyheaders/types/oenv.h"
  42 #include "gromacs/legacyheaders/types/simple.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47 #if 0 /* avoid screwing up indentation */
  48 }
  49 #endif
  50
  51
  52 /* output_env member functions */
  53
  54 /* The output_env structure holds information about program name, cmd line,
  55    default times, etc.
  56
  57    There are still legacy functions for the program name, and the command
  58    line, but the output_env versions are now preferred.*/
  59
  60 typedef enum
  61 {
  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. */
  65
  66 typedef enum {
  67     exvgNULL, exvgXMGRACE, exvgXMGR, exvgNONE
  68 } xvg_format_t;
  69 /* the xvg output formattings */
  70
  71
  72 void output_env_init_default(output_env_t *oenvp);
  73 /* initialize an output_env structure, with reasonable default settings.
  74     (the time unit is set to time_ps, which means no conversion).  */
  75
  76 void output_env_done(output_env_t oenv);
  77 /* free memory allocated for an output_env structure. */
  78
  79
  80 int output_env_get_verbosity(const output_env_t oenv);
  81 /* return the verbosity */
  82
  83 const char *output_env_get_time_unit(const output_env_t oenv);
  84 /* return time unit (e.g. ps or ns) */
  85
  86 const char *output_env_get_time_label(const output_env_t oenv);
  87 /* return time unit label (e.g. "Time (ps)") */
  88
  89 const char *output_env_get_xvgr_tlabel(const output_env_t oenv);
  90 /* retrun x-axis time label for xmgr */
  91
  92 real output_env_get_time_factor(const output_env_t oenv);
  93 /* return time conversion factor from ps (i.e. 1e-3 for ps->ns) */
  94
  95 real output_env_get_time_invfactor(const output_env_t oenv);
  96 /* return inverse time conversion factor to ps (i.e. 1e3 for ns->ps) */
  97
  98 real output_env_conv_time(const output_env_t oenv, real time);
  99 /* return converted time */
 100
 101 void output_env_conv_times(const output_env_t oenv, int n, real *time);
 102 /* convert array of times */
 103
 104 gmx_bool output_env_get_view(const output_env_t oenv);
 105 /* Return TRUE when user requested viewing of the file */
 106
 107 xvg_format_t output_env_get_xvg_format(const output_env_t oenv);
 108 /* Returns enum (see above) for xvg output formatting */
 109
 110 /*! \brief
 111  * Returns display name for the currently running program.
 112  */
 113 const char *output_env_get_program_display_name(const output_env_t oenv);
 114
 115 #ifdef __cplusplus
 116 }
 117
 118 namespace gmx
 119 {
 120 class IProgramContext;
 121 } // namespace gmx
 122
 123 void output_env_init(output_env_t *oenvp,
 124                      const gmx::IProgramContext &context,
 125                      time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
 126                      int verbosity);
 127 /* initialize an output_env structure, setting the command line,
 128    the default time value a gmx_boolean view that is set to TRUE when the
 129    user requests direct viewing of graphs,
 130    the graph formatting type, the verbosity, and debug level */
 131
 132 /*! \brief
 133  * Returns gmx::IProgramContext from an output_env structure.
 134  */
 135 const gmx::IProgramContext &
 136 output_env_get_program_context(const output_env_t oenv);
 137
 138 #endif
 139
 140 #endif