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39 #include "gromacs/legacyheaders/oenv.h"
41 #include "gromacs/utility/smalloc.h"
43 #include "gromacs/utility/programcontext.h"
44 #include "gromacs/utility/exceptions.h"
48 explicit output_env(const gmx::ProgramContextInterface &context)
49 : programContext(context)
53 xvg_format = exvgNONE;
57 const gmx::ProgramContextInterface &programContext;
59 /* the time unit, enum defined in oenv.h */
60 time_unit_t time_unit;
61 /* view of file requested */
63 /* xvg output format, enum defined in oenv.h */
64 xvg_format_t xvg_format;
65 /* The level of verbosity for this program */
69 /* The source code in this file should be thread-safe.
70 Please keep it that way. */
72 /******************************************************************
74 * T R A J E C T O R Y S T U F F
76 ******************************************************************/
78 /* read only time names */
79 /* These must correspond to the time units type time_unit_t in oenv.h */
80 static const real timefactors[] = { 0, 1e3, 1, 1e-3, 1e-6, 1e-9, 1e-12, 0 };
81 static const real timeinvfactors[] = { 0, 1e-3, 1, 1e3, 1e6, 1e9, 1e12, 0 };
82 static const char *time_units_str[] = {
83 NULL, "fs", "ps", "ns", "us",
86 static const char *time_units_xvgr[] = {
87 NULL, "fs", "ps", "ns",
92 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
94 void output_env_init(output_env_t *oenvp,
95 const gmx::ProgramContextInterface &context,
96 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
101 output_env_t oenv = new output_env(context);
103 oenv->time_unit = tmu;
105 oenv->xvg_format = xvg_format;
106 oenv->verbosity = verbosity;
108 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
111 void output_env_init_default(output_env_t *oenvp)
115 output_env_t oenv = new output_env(gmx::getProgramContext());
118 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
121 void output_env_done(output_env_t oenv)
127 int output_env_get_verbosity(const output_env_t oenv)
129 return oenv->verbosity;
132 const char *output_env_get_time_unit(const output_env_t oenv)
134 return time_units_str[oenv->time_unit];
137 const char *output_env_get_time_label(const output_env_t oenv)
142 sprintf(label, "Time (%s)", time_units_str[oenv->time_unit] ?
143 time_units_str[oenv->time_unit] : "ps");
148 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
153 sprintf(label, "Time (%s)", time_units_xvgr[oenv->time_unit] ?
154 time_units_xvgr[oenv->time_unit] : "ps");
159 real output_env_get_time_factor(const output_env_t oenv)
161 return timefactors[oenv->time_unit];
164 real output_env_get_time_invfactor(const output_env_t oenv)
166 return timeinvfactors[oenv->time_unit];
169 real output_env_conv_time(const output_env_t oenv, real time)
171 return time*timefactors[oenv->time_unit];
174 void output_env_conv_times(const output_env_t oenv, int n, real *time)
177 double fact = timefactors[oenv->time_unit];
181 for (i = 0; i < n; i++)
188 gmx_bool output_env_get_view(const output_env_t oenv)
193 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
195 return oenv->xvg_format;
198 const char *output_env_get_program_display_name(const output_env_t oenv)
202 return oenv->programContext.displayName();
204 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
207 const gmx::ProgramContextInterface &
208 output_env_get_program_context(const output_env_t oenv)
210 return oenv->programContext;