This mechanism, which is supposed to be the H2 mechanism extracted from GRI-3.0,
was actually missing the reaction H+O2+M <-> HO2+M. This updates the original
input file, regenerates h2o2.cti, and updates the blessed output file for one
test (which changed because the newer version of ck2cti actually retains the
given precision of the transport properties).
Write plain text to the common Cantera logger to be more consistent with the
verbose/debug logging from other parts of Cantera. This simplifies several of
the transport initialization functions, and eliminates the need for class
XML_Writer.
This reflects how the function is usually used. The old signature is now
deprecated, as is the extra argument for transfering "ownership" to the
ReactorNet object.
The threshold for printing species is a new, optional parameter to the
'report' function. If any species are excluded, the total number of
minor species and their aggregate mass and mole fraction are printed.
Now the complete XML file is storred within the ThermPhase object starting with the root node.
This is needed for later processing of kinetics and transport mechanisms when the ThermoPhase
file is duplicated and the original file is deleted.
xml() is now a const function, and still returns the same pointer.
setXMLdata() is a new function will stores the xml data.
Use the correct platform-independent path separator instead of assuming that it
is ':'.
Determine the PYTHONPATH variable in a single place for each Python version.
Rarefied gas dynamics is an import application area for Sandia, and
it represents a potentially important development direction for Cantera.
These classes provide inroads into that area.
The user's environmental variables are now passed down to the tests. Previously they had been ignored.
All of the python tests (minimal and full) had been failing for over a year or so for any installations which actually use the
LD_LIBRARY_PATH and PYTHONPATH environmental variables, which pretty much consists of all multiuser linux
machines.
When instantiating a phase from a .cti file, do the conversion in memory,
without writing the XML representation to disk. This eliminates the unrequrested
XML files that Cantera normally generates, and also avoids errors when running
Cantera from a directory where the user does not have write permissons.
The order of XML attributes within a node has no meaning, and is not
consistent when the attributes are represented as a Python dict, as in
ctml_writer.py. As a result, comparing the text representation of the
XML generates spurious errors when the order changes.
Took out single_species compilation option
took out some deprecated warnings
Fixed an error in copy constructors for thermo.
Still an error with PYTHONPATH and the test suite
-- more to come.
The test output previously included the nondimensional chemical potential
for each species. This contains a term equal to log(mole fraction). In
some of the cases in this test, there are species with very small mass
fractions, below the tolerances of the equilibrium solver, leading to
large apparent changes in the chemical potential for species which are
present in insignificant amounts.
The comparison of the equilibrium mole fractions in this test is retained
by using the "table.csv" file.
This test uses an input file (silane.xml) that has discontinuous thermo data
(specifically, for s/R), so its results are affected by the corrections applied
to make the thermo functions continuous.
