The moleFractions function has been simplified and generalised. It no
longer needs to execute on construction, as function objects now have
the ability to execute at the start of a simulation. It can also now
construct a thermo model if none exists, simplifying its use as a post
processing operation. A packaged function has been provided, so that all
that is needed to execute the function is the following setting in the
functions section of the system/controlDict:
#includeFunc moleFractions
Alternatively, it can be executed on the command line as follows:
foamPostProcess -func moleFractions
A new massFractions function has also been added which converts mole
fraction fields (e.g., X_CH4, X_O2, etc...), or moles fields (n_CH4,
n_O2, etc...) to the corresponding mass fraction fields. This function,
by contrast to the moleFractions function described above, should not be
used at run-time. It should only be used to initialise a simulation in
which molar data is known and needs converting to mass-fractions. If at
the point of execution a thermo model exists, or mass-fraction fields
are found on disk, then this function will exit with an error rather
than invalidating the existing mass-fraction data. Packaging is provided
that allows the function to be executed to initialise a case as follows:
foamPostProcess -func massFractions
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