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39 #include "gromacs/legacyheaders/oenv.h"
41 #include "gromacs/utility/exceptions.h"
42 #include "gromacs/utility/programcontext.h"
43 #include "gromacs/utility/smalloc.h"
47 explicit output_env(const gmx::ProgramContextInterface &context)
48 : programContext(context)
52 xvg_format = exvgNONE;
56 const gmx::ProgramContextInterface &programContext;
58 /* the time unit, enum defined in oenv.h */
59 time_unit_t time_unit;
60 /* view of file requested */
62 /* xvg output format, enum defined in oenv.h */
63 xvg_format_t xvg_format;
64 /* The level of verbosity for this program */
68 /* The source code in this file should be thread-safe.
69 Please keep it that way. */
71 /******************************************************************
73 * T R A J E C T O R Y S T U F F
75 ******************************************************************/
77 /* read only time names */
78 /* These must correspond to the time units type time_unit_t in oenv.h */
79 static const real timefactors[] = { 0, 1e3, 1, 1e-3, 1e-6, 1e-9, 1e-12, 0 };
80 static const real timeinvfactors[] = { 0, 1e-3, 1, 1e3, 1e6, 1e9, 1e12, 0 };
81 static const char *time_units_str[] = {
82 NULL, "fs", "ps", "ns", "us",
85 static const char *time_units_xvgr[] = {
86 NULL, "fs", "ps", "ns",
91 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
93 void output_env_init(output_env_t *oenvp,
94 const gmx::ProgramContextInterface &context,
95 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
100 output_env_t oenv = new output_env(context);
102 oenv->time_unit = tmu;
104 oenv->xvg_format = xvg_format;
105 oenv->verbosity = verbosity;
107 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
110 void output_env_init_default(output_env_t *oenvp)
114 output_env_t oenv = new output_env(gmx::getProgramContext());
117 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
120 void output_env_done(output_env_t oenv)
126 int output_env_get_verbosity(const output_env_t oenv)
128 return oenv->verbosity;
131 const char *output_env_get_time_unit(const output_env_t oenv)
133 return time_units_str[oenv->time_unit];
136 const char *output_env_get_time_label(const output_env_t oenv)
141 sprintf(label, "Time (%s)", time_units_str[oenv->time_unit] ?
142 time_units_str[oenv->time_unit] : "ps");
147 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
152 sprintf(label, "Time (%s)", time_units_xvgr[oenv->time_unit] ?
153 time_units_xvgr[oenv->time_unit] : "ps");
158 real output_env_get_time_factor(const output_env_t oenv)
160 return timefactors[oenv->time_unit];
163 real output_env_get_time_invfactor(const output_env_t oenv)
165 return timeinvfactors[oenv->time_unit];
168 real output_env_conv_time(const output_env_t oenv, real time)
170 return time*timefactors[oenv->time_unit];
173 void output_env_conv_times(const output_env_t oenv, int n, real *time)
176 double fact = timefactors[oenv->time_unit];
180 for (i = 0; i < n; i++)
187 gmx_bool output_env_get_view(const output_env_t oenv)
192 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
194 return oenv->xvg_format;
197 const char *output_env_get_program_display_name(const output_env_t oenv)
199 const char *displayName = NULL;
203 displayName = oenv->programContext.displayName();
205 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
210 const gmx::ProgramContextInterface &
211 output_env_get_program_context(const output_env_t oenv)
213 return oenv->programContext;