Commit graph

6563 commits

Author SHA1 Message Date
Ray Speth
e3afaf5e61 [Thermo] Make IonsFromNeutral constructible without XML 2017-08-07 20:57:34 -04:00
Ray Speth
7fab7f3cd3 Add boolean and integer types to AnyMap 2017-08-07 20:57:34 -04:00
Ray Speth
c85ba586d2 [Thermo] Remove unused variable MolarityIonicVPSSTP::indexSpecialSpecies_ 2017-08-07 20:57:34 -04:00
Ray Speth
4856d1328b [Thermo] Make IonsFromNeutralVPSSTP::neutralMoleculePhase_ a shared_ptr
Also make it non-public and add getters and setters
2017-08-07 20:57:34 -04:00
Ray Speth
338b21694f [Test] Add regression checks to IonsFromNeutralConstructor.fromXML 2017-08-07 20:57:34 -04:00
Ray Speth
aa02d24235 [Thermo] Allow instantiation of IdealSolidSolnPhase without XML 2017-08-07 20:57:34 -04:00
Ray Speth
8a4142d4bc [Python] Raise exception when setting composition with empty array 2017-08-07 15:39:13 -04:00
Ray Speth
4c489c175d [Kinetics] Fix duplicate reaction check to handle unchanged species 2017-08-02 16:46:24 -04:00
Ray Speth
513b43200c [Kinetics] Fix indexing error in Kinetics::checkDuplicates 2017-08-02 16:46:24 -04:00
Ray Speth
45891a2118 [CI] Use system Python 3 on Travis 2017-07-31 21:15:36 -04:00
Ray Speth
9e5da87a2a [CI] Force Travis builds to use Trusty 2017-07-31 21:15:32 -04:00
Ray Speth
3f69f6ac8a [SCons] Make issues importing NumPy easier to diagnose 2017-07-31 17:26:09 -04:00
Ray Speth
3d03795c4f [Python] Set minimum NumPy version to 1.8.1.
Minimum set based on a regression in NumPy 1.8.0 which affects the SolutionArray
class.

This makes Trusty Tahr (14.04) the oldest supported version of Ubuntu (using the
Ubuntu-provided NumPy package).

Resolves #445.
2017-07-30 14:39:57 -04:00
Ray Speth
d4338249fb [Thermo] Remove debug exception from Phase::entropyElement298
Returning the special value ENTROPY298_UNKNOWN is (apparently) the expected
behavior if no actual value was provided, and should not result in an exception.
2017-07-30 14:28:18 -04:00
Ray Speth
8d953a9424 [Python] Make Python module compatible with Cython 0.26
Cython 0.26 unexpectedly removed automatic conversions of C++ containers to
Python containers. Explicit casting provides the old behavior.

Fixes #465
2017-07-30 14:28:18 -04:00
Ray Speth
3676672eec [Thermo] Allow instantiation of LatticeSolidPhase without XML 2017-07-17 23:41:44 -04:00
Ray Speth
04f10972c8 [Thermo] Store sub-lattices as shared_ptr in LatticeSolidPhase
Also eliminates undefined behavior associated with unchecked cast to
LatticePhase*, since, at least in the Li7Si3_ls.xml example file, the
sub-lattices can be represented as other ThermoPhase types,
e.g. StoichSubstance.
2017-07-17 23:41:44 -04:00
Ray Speth
d744bd9fb8 [Thermo] Allow instantiation of LatticePhase without XML 2017-07-17 23:41:44 -04:00
Ray Speth
6bfd82e0be [Thermo] Remove unused "vacancy species" from LatticePhase 2017-07-17 23:41:44 -04:00
Ray Speth
f3ba29f0bc [Thermo] Fix default molar volume in LatticePhase
Molar volume is the inverse of molar "site" density
2017-07-17 23:41:44 -04:00
Ray Speth
37be501a68 [Test] Modify DebyeHuckel test to utilize PDSS_Water class 2017-07-17 23:41:44 -04:00
Ray Speth
a5b0bdf695 [Python] Make activity coefficients and activities accessible 2017-07-17 23:41:44 -04:00
Ray Speth
90d18dd337 Remove some unused, inaccessible variables 2017-07-17 23:41:44 -04:00
Ray Speth
9c084d5c84 Fix compiler warnings associated with AnyMap 2017-07-17 23:41:44 -04:00
Ray Speth
f69ef44600 [Thermo] Allow instantiation of MargulesVPSSTP without XML 2017-07-17 23:41:44 -04:00
Ray Speth
4818c87344 [Thermo] Remove unused members of MargulesVPSSTP 2017-07-17 23:41:44 -04:00
Ray Speth
44b24ca873 [ctml_writer] Fix handling of third body names containing parentheses
Replace the heuristic used to remove the third body terms from the
reactant and product lists to handle species names that include
parentheses.
2017-07-12 09:16:24 -04:00
Ray Speth
6d591b82ef [ck2cti] Fix reactions with pathologically named third bodies
This changes the order in which tokens are identified to be strictly
descending in length, so that third bodies are identified correctly
even when the third body expression could potentially be interpreted
as containing a standalone species name.
2017-07-12 09:16:24 -04:00
Richard West
55a8910686 A failing unit test for chemkin files with weird names in PDep rates.
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.)
2017-07-12 09:16:24 -04:00
Tilman Bremer
b41038f84b stylevalue 'setlinewidth' is deprecated, replaced it together with the whole style argument by 'penwidth' 2017-07-11 18:59:03 -04:00
Bryan W. Weber
35ac1acfa8 Clarify Valve coefficient vs function 2017-07-11 18:26:55 -04:00
Bryan W. Weber
fec6c34ed8 Remove more references to importPhase in Matlab docs 2017-07-11 18:26:55 -04:00
Bryan W. Weber
05809bb027 Fix small typos in docs 2017-07-11 18:26:55 -04:00
Steven DeCaluwe
04be9888ed Update importKinetics to identify unspecified electrochemical reactions
Add test coverage for beta default value for electrochem reactions
2017-07-06 18:14:09 -04:00
Bryan W. Weber
6bf74d179b
Handle bad representations of geometry flags
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
2017-06-14 17:39:52 -04:00
Bryan W. Weber
d920f2eb2c
Switch SourceForge links to point to GitHub
Fixes #442
2017-06-14 17:33:38 -04:00
Bryan W. Weber
c125878a40
Disable external SUNDIALS libraries when building the Matlab toolbox
Resolves #431
2017-06-14 09:08:39 -04:00
Ray Speth
c092484f4d [Matlab] Deprecate npflame_init in favor of CounterFlowDiffusionFlame 2017-06-10 16:44:50 -04:00
KyleLinevitchJr
43bd96b5ba [Matlab] Make counterflow diffusion flame simulation more general
The CounterFlowDiffusionFlame (CFDF) code is able to perform more general cases
of npflame_init for multiple species fuel and oxidizer streams. The
stoichiometric mixture fraction in the CFDF code uses the Bilger definition of
mixture fraction, using the conservation of elements C, H, and O. This method is
used in the python module, but not the MATLAB npflame_init function.

Also, the CFDF code uses the fuel stream density to calculate the fuel stream
velocity and the oxidizer stream density to calculate the oxidizer stream
velocity, where as the npflame_init code uses the fuel density for both velocity
calculations.

The elementMassFraction code is a MATLAB version of the python function:
elemental_mass_fraction, which is needed to run the CFDF code.

Update the diffflame.m example to use the more general CFDF function since the
input parameters are different than the npflame_init function. This example is
the same as the diffusion_flame.py sample in the Python module.
2017-06-10 16:44:50 -04:00
Ray Speth
94a4439bd4 [1D] Impose upper temperature bound based on thermo data
This fixes some platform-specific test failures when compiling in debug mode,
where estimated temperatures during the Newton iterations were too high,
resulting in non-finite reaction rates.
2017-05-16 13:55:40 -04:00
Ray Speth
22ecade329 [1D] Use named offsets for solution components 2017-05-16 13:55:40 -04:00
bangshiuh
1057d20731 [1D] Fix IonFlow docstrings and simplify testIonFlame 2017-05-16 13:55:40 -04:00
bangshiuh
6b6d758f23 [1D] Use named offset constants instead of raw numbers 2017-05-16 13:55:40 -04:00
bangshiuh
9dd0134e31 [1D] Add function for importing transport of electron 2017-05-16 13:55:40 -04:00
bangshiuh
e2f718c65b [1D/Python] Add IonFlow to Python interface, with example and test 2017-05-16 13:55:40 -04:00
bangshiuh
3b12c6d662 [1D] Introduction of IonFlow flame class
tested successfully with gri30
2017-05-16 13:55:40 -04:00
Ray Speth
3accd415e8 [Doc] Fix building Matlab Sphinx docs
Forgot to remove references to deprecated code that has been removed
2017-05-13 00:16:34 -04:00
Jeff Santner
2a38b0a765 Allow user to set flame location
A very small change that allows the user to set the initial location of the flame. The original hard-coded values for "locs" are retained as the default, but the user can now modify locs.
2017-05-12 22:57:29 -04:00
Ray Speth
52dbe8c007 [1D] Correct handling of boundary conditions when energy equation is disabled 2017-03-29 18:46:30 -04:00
Ray Speth
bfdc2b9e1d [Thermo] Allow instantiation of DebyeHuckel without XML 2017-03-25 23:42:46 -04:00