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.
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
- ThermoPhase
- Kinetics
- Transport
- Species
- SpeciesThermoInterpType
- MultiSpeciesThermo
- VPSSMgr
- PDSS
- ResidJacEval
- RootFind
The new class is named MultiSpeciesThermo, so that (eventually) the name
SpeciesThermo can be used for the single-species class SpeciesThermoInterpType.
Currently, trivial wrappers for classes named SpeciesThermo and
GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
