1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
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34 * GROningen Mixture of Alchemy and Childrens' Stories
53 #include "gmx_fatal.h"
56 #include "mtop_util.h"
61 #include "thread_mpi.h"
66 /* The source code in this file should be thread-safe.
67 Please keep it that way. */
69 /******************************************************************
71 * T R A J E C T O R Y S T U F F
73 ******************************************************************/
75 /* read only time names */
76 /* These must correspond to the time units type time_unit_t in statutil.h */
77 static const real timefactors[] = { 0, 1e3, 1, 1e-3, 1e-6, 1e-9, 1e-12, 0 };
78 static const real timeinvfactors[] ={ 0, 1e-3, 1, 1e3, 1e6, 1e9, 1e12, 0 };
79 static const char *time_units_str[] = { NULL, "fs", "ps", "ns", "us",
81 static const char *time_units_xvgr[] = { NULL, "fs", "ps", "ns",
86 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
88 void output_env_init(output_env_t oenv, int argc, char *argv[],
89 time_unit_t tmu, bool view, xvg_format_t xvg_format,
90 int verbosity, int debug_level)
96 oenv->time_unit = tmu;
98 oenv->xvg_format = xvg_format;
99 oenv->verbosity=verbosity;
100 oenv->debug_level=debug_level;
101 oenv->program_name=NULL;
106 /* set program name */
107 /* When you run a dynamically linked program before installing
108 * it, libtool uses wrapper scripts and prefixes the name with "lt-".
109 * Until libtool is fixed to set argv[0] right, rip away the prefix:
113 if(strlen(argvzero)>3 && !strncmp(argvzero,"lt-",3))
114 oenv->program_name=strdup(argvzero+3);
116 oenv->program_name=strdup(argvzero);
118 if (oenv->program_name == NULL)
119 oenv->program_name = strdup("GROMACS");
121 /* copy command line */
124 cmdlength = strlen(argvzero);
125 for (i=1; i<argc; i++)
127 cmdlength += strlen(argv[i]);
131 /* Fill the cmdline string */
132 snew(oenv->cmd_line,cmdlength+argc+1);
133 for (i=0; i<argc; i++)
135 strcat(oenv->cmd_line,argv[i]);
136 strcat(oenv->cmd_line," ");
141 void output_env_init_default(output_env_t oenv)
143 output_env_init(oenv, 0, NULL, time_ps, FALSE, exvgNONE, 0, 0);
147 void output_env_done(output_env_t oenv)
149 sfree(oenv->program_name);
150 sfree(oenv->cmd_line);
156 int output_env_get_verbosity(const output_env_t oenv)
158 return oenv->verbosity;
161 int output_env_get_debug_level(const output_env_t oenv)
163 return oenv->debug_level;
167 const char *output_env_get_time_unit(const output_env_t oenv)
169 return time_units_str[oenv->time_unit];
172 const char *output_env_get_time_label(const output_env_t oenv)
177 sprintf(label,"Time (%s)",time_units_str[oenv->time_unit] ?
178 time_units_str[oenv->time_unit]: "ps");
183 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
188 sprintf(label,"Time (%s)", time_units_xvgr[oenv->time_unit] ?
189 time_units_xvgr[oenv->time_unit] : "ps");
195 real output_env_get_time_factor(const output_env_t oenv)
197 return timefactors[oenv->time_unit];
200 real output_env_get_time_invfactor(const output_env_t oenv)
202 return timeinvfactors[oenv->time_unit];
205 real output_env_conv_time(const output_env_t oenv, real time)
207 return time*timefactors[oenv->time_unit];
211 void output_env_conv_times(const output_env_t oenv, int n, real *time)
214 double fact=timefactors[oenv->time_unit];
221 bool output_env_get_view(const output_env_t oenv)
226 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
228 return oenv->xvg_format;
231 const char *output_env_get_program_name(const output_env_t oenv)
233 return oenv->program_name;
236 const char *output_env_get_short_program_name(const output_env_t oenv)
239 pr=ret=oenv->program_name;
240 if ((pr=strrchr(ret,DIR_SEPARATOR)) != NULL)
242 /* Strip away the libtool prefix if it's still there. */
243 if(strlen(ret) > 3 && !strncmp(ret, "lt-", 3))
250 const char *output_env_get_cmd_line(const output_env_t oenv)
252 return oenv->cmd_line;