Kinetica.jl API
Utilities
Kinetica.tconvert
— Functiontconvert(t<:Real, from_unit::String, to_unit::String)
Converts a time from one unit (from_unit
) to another (to_unit
).
Supported units (with accepted abbreviations) are:
picoseconds
(ps
)nanoseconds
(ns
)microseconds
(us
)milliseconds
(ms
)seconds
(s
)minutes
(mins
)hours
(hrs
)days
months
(mts
)years
(yrs
)
Will throw an error if unsupported units are provided.
tconvert(from_unit::String, to_unit::String)
Returns tconvert(1.0, from_unit, to_unit)
.
Useful for just getting a conversion factor between time units, rather than converting a specific time directly.
tconvert(t::Vector{<:Real}, from_unit::String, to_unit::String)
Converts a vector of times from one unit (from_unit
) to another (to_unit
).
Supported units (with accepted abbreviations) are:
picoseconds
(ps
)nanoseconds
(ns
)microseconds
(us
)milliseconds
(ms
)seconds
(s
)minutes
(mins
)hours
(hrs
)days
months
(mts
)years
(yrs
)
Will throw an error if unsupported units are provided.
Kinetica.create_savepoints
— Functioncreate_savepoints(start, stop, step)
Creates a range of savepoints, ensuring that the final time is included.
Safely modifies step
to account for small floating point errors introduced by calling tconvert
.
Kinetica.format_rxn
— Functionformat_rxn(sd::SpeciesData, rd::RxData, rid::Int[, display_level=false])
Nicely formats a string describing the reaction at rid
.
If the keyword argument display_level
is true
, additionally annotates the reaction with the level in which it was discovered.
Kinetica.print_rxn
— Functionprint_rxn(sd::SpeciesData, rd::RxData, rid::Int[, display_level=false])
Prints the reaction at ID rid
with SMILES names for species.
If the keyword argument display_level
is true
, additionally annotates the reaction with the level in which it was discovered.
Logging
Kinetica.start_log
— Functionstart_log(logdir::String[, label::String="Kinetica", min_level=logging.Info])
Creates a SimpleLogger
for logging to a file in logdir
.
Filename of the log can be customised using label
. All new logfiles will have dates attached.
Example
# Creates a new logfile in `logdir/MyLog_yymmdd-HHMMSS.log`
logger = start_log(logdir; label="MyLog")
Kinetica.end_log
— Functionend_log(logger<:AbstractLogger)
end_log(logger::MinLevelLogger)
Closes the IOStream
attached to logger
.
Kinetica.flush_log
— Functionflush_log()
Flushes the IOStream
attached to the currently scoped logger.