Update and make more consistent the specification of Python package
building. Since SCons can be run by Python 3 now, we cannot assume that
the Python running SCons is Python 2. This changes a bunch of
assumptions in SConstruct about where things should be built or
installed. This commit addresses those assumptions by making the options
for Python 2 and Python 3 symmetric.
If no full or minimal Python interface is being built, copy the minimal
interface into the build directory and use the sys.executable to run it,
so the tests that require CTML or CTI conversion can run.
Fixes the appearance of C2797 (list initialization inside member
initializer list or non-static data member initializer is not
implemented). This was preventing building/running tests with
msvc_version=12.0. It was fixed using Visual Studio 2013 (12.0)
Update 5.
Reactions of the type
A (+B) <=> C (+B)
ought to work, as long as they are provided a pressure-dependent rate
expression. This commit adds three examples to the test file. The first
works OK, the second two cause problems.
(For what it's worth, this currently crashes the official chemkin.
Or at least the parentheses do; I've not tested the plus.
Ansys have created a defect record and say they will fix the issue.)
If geometry flags are specified rather that can't be cast to integers,
intercept the ValueError raised by Python and raise a more sensible
exception.
Fixes#446
Exact floating point equality can be assured only in the case where the species
are added in the same order, since this affects summations involved in
calculating the mixture molecular weight. This resulted in test failures with
certain versions of the Intel compiler.
Resolves#433.
The 'install' and 'test' targets had some undeclared dependencies on the 'build'
target, such that running 'scons install' or 'scons test' without having first
run 'scons build' would result in incomplete installation or test failures,
respectively.
Fixes#432.
The reference pressure (p0) must be species-specific, since for certain PDSS
classes (e.g. PDSS_Water) p0 is a function of temperature, while for other
classes (PDSS_ConstVol) it is a constant.
VPSSMgr_Water_ConstVol further assumed that the reference pressure for all
species was 1 atm, ignoring the setting in the PDSS object. Fixing this changed
test results for HMW_test_1 and HMW_test_3.
Added a test that specifically compares VPSSMgr_Water_ConstVol with
VPSSMgr_General.
This also adds the first test which instantiates a RedlichKwongMFTP object, and
removes some unused member variables and private methods from the class.
