src/gromacs/fileio/oenv.h

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