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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 /* The source code in this file should be thread-safe.
68 Please keep it that way. */
70 /******************************************************************
72 * T R A J E C T O R Y S T U F F
74 ******************************************************************/
76 /* read only time names */
77 /* These must correspond to the time units type time_unit_t in statutil.h */
78 static const real timefactors[] = { 0, 1e3, 1, 1e-3, 1e-6, 1e-9, 1e-12, 0 };
79 static const real timeinvfactors[] ={ 0, 1e-3, 1, 1e3, 1e6, 1e9, 1e12, 0 };
80 static const char *time_units_str[] = { NULL, "fs", "ps", "ns", "us",
82 static const char *time_units_xvgr[] = { NULL, "fs", "ps", "ns",
87 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
89 void output_env_init(output_env_t oenv, int argc, char *argv[],
90 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
91 int verbosity, int debug_level)
95 char *argvzero=NULL, *extpos;
97 oenv->time_unit = tmu;
99 oenv->xvg_format = xvg_format;
100 oenv->verbosity=verbosity;
101 oenv->debug_level=debug_level;
102 oenv->program_name=NULL;
109 /* set program name */
112 /* if filename has file ending (e.g. .exe) then strip away */
113 extpos=strrchr(argvzero,'.');
114 if(extpos > strrchr(argvzero,DIR_SEPARATOR))
116 oenv->program_name=gmx_strndup(argvzero,extpos-argvzero);
120 oenv->program_name=gmx_strdup(argvzero);
123 if (oenv->program_name == NULL)
125 oenv->program_name = gmx_strdup("GROMACS");
128 /* copy command line */
131 cmdlength = strlen(argvzero);
132 for (i=1; i<argc; i++)
134 cmdlength += strlen(argv[i]);
138 /* Fill the cmdline string */
139 snew(oenv->cmd_line,cmdlength+argc+1);
142 for (i=0; i<argc; i++)
144 strcat(oenv->cmd_line,argv[i]);
145 strcat(oenv->cmd_line," ");
151 void output_env_init_default(output_env_t oenv)
153 output_env_init(oenv, 0, NULL, time_ps, FALSE, exvgNONE, 0, 0);
157 void output_env_done(output_env_t oenv)
159 sfree(oenv->program_name);
160 sfree(oenv->cmd_line);
166 int output_env_get_verbosity(const output_env_t oenv)
168 return oenv->verbosity;
171 int output_env_get_debug_level(const output_env_t oenv)
173 return oenv->debug_level;
177 const char *output_env_get_time_unit(const output_env_t oenv)
179 return time_units_str[oenv->time_unit];
182 const char *output_env_get_time_label(const output_env_t oenv)
187 sprintf(label,"Time (%s)",time_units_str[oenv->time_unit] ?
188 time_units_str[oenv->time_unit]: "ps");
193 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
198 sprintf(label,"Time (%s)", time_units_xvgr[oenv->time_unit] ?
199 time_units_xvgr[oenv->time_unit] : "ps");
205 real output_env_get_time_factor(const output_env_t oenv)
207 return timefactors[oenv->time_unit];
210 real output_env_get_time_invfactor(const output_env_t oenv)
212 return timeinvfactors[oenv->time_unit];
215 real output_env_conv_time(const output_env_t oenv, real time)
217 return time*timefactors[oenv->time_unit];
221 void output_env_conv_times(const output_env_t oenv, int n, real *time)
224 double fact=timefactors[oenv->time_unit];
231 gmx_bool output_env_get_view(const output_env_t oenv)
236 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
238 return oenv->xvg_format;
241 const char *output_env_get_program_name(const output_env_t oenv)
243 return oenv->program_name;
246 const char *output_env_get_short_program_name(const output_env_t oenv)
249 pr=ret=oenv->program_name;
250 if ((pr=strrchr(ret,DIR_SEPARATOR)) != NULL)
252 /* Strip away the libtool prefix if it's still there. */
253 if(strlen(ret) > 3 && !strncmp(ret, "lt-", 3))
260 const char *output_env_get_cmd_line(const output_env_t oenv)
262 return oenv->cmd_line;