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34 * GROningen Mixture of Alchemy and Childrens' Stories
54 #include "gmx_fatal.h"
57 #include "mtop_util.h"
62 #include "thread_mpi.h"
67 time_unit_t time_unit; /* the time unit, enum defined in oenv.h */
68 gmx_bool view; /* view of file requested */
69 xvg_format_t xvg_format; /* xvg output format, enum defined in oenv.h */
70 int verbosity; /* The level of verbosity for this program */
71 int debug_level; /* the debug level */
73 char *program_name; /* the program name */
74 char *cmd_line; /* the re-assembled command line */
77 /* The source code in this file should be thread-safe.
78 Please keep it that way. */
80 /******************************************************************
82 * T R A J E C T O R Y S T U F F
84 ******************************************************************/
86 /* read only time names */
87 /* These must correspond to the time units type time_unit_t in oenv.h */
88 static const real timefactors[] = { 0, 1e3, 1, 1e-3, 1e-6, 1e-9, 1e-12, 0 };
89 static const real timeinvfactors[] ={ 0, 1e-3, 1, 1e3, 1e6, 1e9, 1e12, 0 };
90 static const char *time_units_str[] = { NULL, "fs", "ps", "ns", "us",
92 static const char *time_units_xvgr[] = { NULL, "fs", "ps", "ns",
97 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
99 void output_env_init(output_env_t *oenvp, int argc, char *argv[],
100 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
101 int verbosity, int debug_level)
110 oenv->time_unit = tmu;
112 oenv->xvg_format = xvg_format;
113 oenv->verbosity=verbosity;
114 oenv->debug_level=debug_level;
115 oenv->program_name=NULL;
122 /* set program name */
125 oenv->program_name=strdup(argvzero);
127 if (oenv->program_name == NULL)
128 oenv->program_name = strdup("GROMACS");
130 /* copy command line */
133 cmdlength = strlen(argvzero);
134 for (i=1; i<argc; i++)
136 cmdlength += strlen(argv[i]);
140 /* Fill the cmdline string */
141 snew(oenv->cmd_line,cmdlength+argc+1);
144 for (i=0; i<argc; i++)
146 strcat(oenv->cmd_line,argv[i]);
147 strcat(oenv->cmd_line," ");
153 void output_env_init_default(output_env_t *oenvp)
155 output_env_init(oenvp, 0, NULL, time_ps, FALSE, exvgNONE, 0, 0);
159 void output_env_done(output_env_t oenv)
161 sfree(oenv->program_name);
162 sfree(oenv->cmd_line);
168 int output_env_get_verbosity(const output_env_t oenv)
170 return oenv->verbosity;
173 int output_env_get_debug_level(const output_env_t oenv)
175 return oenv->debug_level;
179 const char *output_env_get_time_unit(const output_env_t oenv)
181 return time_units_str[oenv->time_unit];
184 const char *output_env_get_time_label(const output_env_t oenv)
189 sprintf(label,"Time (%s)",time_units_str[oenv->time_unit] ?
190 time_units_str[oenv->time_unit]: "ps");
195 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
200 sprintf(label,"Time (%s)", time_units_xvgr[oenv->time_unit] ?
201 time_units_xvgr[oenv->time_unit] : "ps");
207 real output_env_get_time_factor(const output_env_t oenv)
209 return timefactors[oenv->time_unit];
212 real output_env_get_time_invfactor(const output_env_t oenv)
214 return timeinvfactors[oenv->time_unit];
217 real output_env_conv_time(const output_env_t oenv, real time)
219 return time*timefactors[oenv->time_unit];
223 void output_env_conv_times(const output_env_t oenv, int n, real *time)
226 double fact=timefactors[oenv->time_unit];
233 gmx_bool output_env_get_view(const output_env_t oenv)
238 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
240 return oenv->xvg_format;
243 const char *output_env_get_program_name(const output_env_t oenv)
245 return oenv->program_name;
248 const char *output_env_get_short_program_name(const output_env_t oenv)
251 pr=ret=oenv->program_name;
252 if ((pr=strrchr(ret,DIR_SEPARATOR)) != NULL)
259 const char *output_env_get_cmd_line(const output_env_t oenv)
261 return oenv->cmd_line;