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39 #include "gromacs/utility/smalloc.h"
41 #include "gromacs/utility/programcontext.h"
42 #include "gromacs/utility/exceptions.h"
46 explicit output_env(const gmx::ProgramContextInterface &context)
47 : programContext(context)
51 xvg_format = exvgNONE;
55 const gmx::ProgramContextInterface &programContext;
57 /* the time unit, enum defined in oenv.h */
58 time_unit_t time_unit;
59 /* view of file requested */
61 /* xvg output format, enum defined in oenv.h */
62 xvg_format_t xvg_format;
63 /* The level of verbosity for this program */
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 oenv.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[] = {
81 NULL, "fs", "ps", "ns", "us",
84 static const char *time_units_xvgr[] = {
85 NULL, "fs", "ps", "ns",
90 /***** OUTPUT_ENV MEMBER FUNCTIONS ******/
92 void output_env_init(output_env_t *oenvp,
93 const gmx::ProgramContextInterface &context,
94 time_unit_t tmu, gmx_bool view, xvg_format_t xvg_format,
99 output_env_t oenv = new output_env(context);
101 oenv->time_unit = tmu;
103 oenv->xvg_format = xvg_format;
104 oenv->verbosity = verbosity;
106 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
109 void output_env_init_default(output_env_t *oenvp)
113 output_env_t oenv = new output_env(gmx::getProgramContext());
116 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
119 void output_env_done(output_env_t oenv)
125 int output_env_get_verbosity(const output_env_t oenv)
127 return oenv->verbosity;
130 const char *output_env_get_time_unit(const output_env_t oenv)
132 return time_units_str[oenv->time_unit];
135 const char *output_env_get_time_label(const output_env_t oenv)
140 sprintf(label, "Time (%s)", time_units_str[oenv->time_unit] ?
141 time_units_str[oenv->time_unit] : "ps");
146 const char *output_env_get_xvgr_tlabel(const output_env_t oenv)
151 sprintf(label, "Time (%s)", time_units_xvgr[oenv->time_unit] ?
152 time_units_xvgr[oenv->time_unit] : "ps");
157 real output_env_get_time_factor(const output_env_t oenv)
159 return timefactors[oenv->time_unit];
162 real output_env_get_time_invfactor(const output_env_t oenv)
164 return timeinvfactors[oenv->time_unit];
167 real output_env_conv_time(const output_env_t oenv, real time)
169 return time*timefactors[oenv->time_unit];
172 void output_env_conv_times(const output_env_t oenv, int n, real *time)
175 double fact = timefactors[oenv->time_unit];
179 for (i = 0; i < n; i++)
186 gmx_bool output_env_get_view(const output_env_t oenv)
191 xvg_format_t output_env_get_xvg_format(const output_env_t oenv)
193 return oenv->xvg_format;
196 const char *output_env_get_program_name(const output_env_t oenv)
200 return oenv->programContext.fullBinaryPath();
202 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
205 const char *output_env_get_short_program_name(const output_env_t oenv)
209 // TODO: Use the display name once it doesn't break anything.
210 return oenv->programContext.programName();
212 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
215 const char *output_env_get_cmd_line(const output_env_t oenv)
219 return oenv->programContext.commandLine();
221 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;