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41 #include "gromacs/utility/exceptions.h"
42 #include "gromacs/utility/programcontext.h"
43 #include "gromacs/utility/smalloc.h"
45 struct gmx_output_env_t
47 explicit gmx_output_env_t(const gmx::IProgramContext &context)
48 : programContext(context),
54 const gmx::IProgramContext &programContext;
56 /* the time unit, enum defined in oenv.h */
57 time_unit_t time_unit;
58 /* view of file requested */
60 /* xvg output format, enum defined in oenv.h */
61 xvg_format_t xvg_format;
62 /* The level of verbosity for this program */
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 oenv.h */
77 static const real timefactors[] = { real(0), real(1e3), real(1), real(1e-3), real(1e-6), real(1e-9), real(1e-12), real(0) };
78 static const real timeinvfactors[] = { real(0), real(1e-3), real(1), real(1e3), real(1e6), real(1e9), real(1e12), real(0) };
79 static const char *time_units_str[] = {
80 nullptr, "fs", "ps", "ns", "us",
83 static const char *time_units_xvgr[] = {
84 nullptr, "fs", "ps", "ns",
89 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
91 void output_env_init(gmx_output_env_t **oenvp,
92 const gmx::IProgramContext &context,
93 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
98 gmx_output_env_t *oenv = new gmx_output_env_t(context);
100 oenv->time_unit = tmu;
102 oenv->xvg_format = xvg_format;
103 oenv->verbosity = verbosity;
105 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
108 void output_env_init_default(gmx_output_env_t **oenvp)
112 gmx_output_env_t *oenv = new gmx_output_env_t(gmx::getProgramContext());
115 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
118 void output_env_done(gmx_output_env_t *oenv)
124 int output_env_get_verbosity(const gmx_output_env_t *oenv)
126 return oenv->verbosity;
129 const char *output_env_get_time_unit(const gmx_output_env_t *oenv)
131 return time_units_str[oenv->time_unit];
134 const char *output_env_get_time_label(const gmx_output_env_t *oenv)
139 sprintf(label, "Time (%s)", time_units_str[oenv->time_unit] ?
140 time_units_str[oenv->time_unit] : "ps");
145 const char *output_env_get_xvgr_tlabel(const gmx_output_env_t *oenv)
150 sprintf(label, "Time (%s)", time_units_xvgr[oenv->time_unit] ?
151 time_units_xvgr[oenv->time_unit] : "ps");
156 real output_env_get_time_factor(const gmx_output_env_t *oenv)
158 return timefactors[oenv->time_unit];
161 real output_env_get_time_invfactor(const gmx_output_env_t *oenv)
163 return timeinvfactors[oenv->time_unit];
166 real output_env_conv_time(const gmx_output_env_t *oenv, real time)
168 return time*timefactors[oenv->time_unit];
171 void output_env_conv_times(const gmx_output_env_t *oenv, int n, real *time)
174 double fact = timefactors[oenv->time_unit];
178 for (i = 0; i < n; i++)
185 gmx_bool output_env_get_view(const gmx_output_env_t *oenv)
190 xvg_format_t output_env_get_xvg_format(const gmx_output_env_t *oenv)
192 return oenv->xvg_format;
195 const char *output_env_get_program_display_name(const gmx_output_env_t *oenv)
197 const char *displayName = nullptr;
201 displayName = oenv->programContext.displayName();
203 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
208 const gmx::IProgramContext &
209 output_env_get_program_context(const gmx_output_env_t *oenv)
211 return oenv->programContext;