research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
6344 commits 2 branches 16 tags 37 MiB
Commit graph

606 commits

Author SHA1 Message Date
Ray Speth
2d623e893e [Python] Fix documentation for Sim1D.set_steady_callback 2016-11-11 23:06:35 -05:00
Ray Speth
828fba5611 [CTI] Improve error messages associated with problematic reactions 2016-11-11 23:06:35 -05:00
Bryan W. Weber
4fb0d52d4b [Test] Remove printed output from tests 2016-11-11 17:40:46 -05:00
Bryan W. Weber
06a739d26e [Test/1D] Add tests for max_grid_points 2016-11-11 17:40:46 -05:00
Bryan W. Weber
3fd46f7a1f [Cython/1D] Modify the auto solver so the minimal code is in the try block. 
This ensures we only catch an error from a single solve call so it is handled properly.
 2016-11-11 17:40:46 -05:00
Bryan W. Weber
c91bdee2e2 [Cython/1D] Raise an error if the auto solver exceeds the max number of grid points 2016-11-11 17:40:46 -05:00
Bryan W. Weber
a82dd5a483 [Cython/1D] Add Cython interface for getting/setting max_grid_points 2016-11-11 17:40:46 -05:00
Bryan W. Weber
4e1c45c2aa [Test] Fix typo in test_multiComponent 2016-11-10 15:16:10 -05:00
Bryan W. Weber
e235f69543 [Cython/Test] Make python tests portable 2016-11-10 15:16:10 -05:00
Bryan W. Weber
fc9270786f [Cython/Test] Add working directory attributes to CanteraTest class 2016-11-10 15:16:10 -05:00
Bryan W. Weber
ea4b3502c3 [Cython/Test] Install extra data files from main data directory 2016-11-10 15:16:10 -05:00
Bryan W. Weber
d1c2ec48e7 Add function to get the data directories Cantera searches 2016-10-31 17:14:26 -04:00
Ray Speth
52727a9550 [1D] Eliminate unnecessary state variables from Inlet1D 
We do not need to solve the trivial equations 'T = Tin' and 'mdot = mdot_in'.
 2016-10-30 21:35:20 -04:00
Ray Speth
95764fdf6e [Reactor] Add tests for reactors using pure fluid phases 2016-10-23 17:17:28 -04:00
Ray Speth
3f3b96587b [Thermo] Fix finite-difference properties in two-phase region 
These properties are actually infinite in the two-phase region, but attempting
to compute them by finite difference would incorrectly give a finite result, so
they need to be treated as a special case.
 2016-10-21 13:28:51 -04:00
Ray Speth
a92245f683 [Thermo] Fix calculation of derivative properties of pure fluids 
Calculating specific heat capacities (cp or cv) for states near the saturation
curve would give incorrect results if the finite difference method used points
within the saturation region. To avoid this, we now check the points used for
computing the properties and use values outside the saturation region to compute
the derivatives.

Fixes #273
 2016-10-21 13:28:51 -04:00
Ray Speth
b1a1ce6e23 [Thermo] Fix pure fluid thermal expansion coefficient calculation 2016-10-19 19:51:31 -04:00
Ray Speth
5b1a4a60bb [Thermo] Fix silent failures in HP/UV/SV/SP convergence 
In cases where the specified state was non-physical (i.e. corresponded to a
negative temperature), the iteration would exit when the temperature reached a
small enough value. Computing the error in temperature relative to the current
temperature avoids this problem.

Fixes #264
 2016-10-19 10:58:22 -04:00
Ray Speth
89d0c5601f [Python] Add CanteraError class for execptions 
Anything that raises a CanteraError in C++ will now raise CanteraError in
Python, instead of the more generic RuntimeError.

This change increases the required Cython version to 0.23 or newer.
 2016-10-18 22:58:14 -04:00
Ray Speth
994d7e9a53 [Doc] Adjust example docstrings to get better automatic summaries 2016-10-14 17:06:45 -04:00
Ray Speth
f17750e483 Make species names case-preserving instead of case-sensitive 
This improves interoperability when working with mechanisms which use differing
conventions for naming species using uppercase or lowercase.
 2016-10-13 18:40:03 -04:00
Ray Speth
5d7c8f393b [CTML] Remove unnecessary 'global' declarations 2016-10-13 18:40:03 -04:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
8a86fed0ca [Python] Move composite classes out of Cython 
This makes it easier to add more features to these composite classes without
increasing the size of the compiled Cython extension.
 2016-09-19 18:57:19 -04:00
Ray Speth
11f6c2f993 Consolidate duplicate species checks in Phase::addSpecies 2016-09-10 21:45:24 -04:00
Ray Speth
e49f843797 [Python] Prevent adding species to in-use Thermo objects 2016-09-09 22:50:17 -04:00
Ray Speth
178b452a49 [Transport] Automatically reinitialize after change in number of species 
This makes it possible for GasTransport objects to work reasonably well with
ThermoPhase objects that have had species added to them. The main changes
required are to make the initialization functions idempotent.
 2016-09-09 22:50:17 -04:00
Ray Speth
1660167bd7 Allow adding species / reactions from Python 
This enables the base functionality, but does not protect against any erroneous
usage.
 2016-09-09 22:50:17 -04:00
Ray Speth
fe747f34c0 [ck2cti] Provide better error message for reactions with missing data 
For falloff / chemically activated reactions (with "(+M)" appearing in the
reaction equation), check that the alternate rate expression has been
provided. Previously, this would only generate an inscrutable error when
importing the XML file.
 2016-08-29 23:34:04 -04:00
Ray Speth
bd53bbd742 [ck2cti] Clear current thermo entry after finding skipped species 
This fixes error messages generated regarding bad thermo entries to exclude
preceding skipped (but valid) thermo entries.
 2016-08-29 22:48:53 -04:00
Ray Speth
0bd88927f5 [Equil] Fix ElemRearrange when unused elements are present 
The solver could get stuck in an infinite loop when there were elements that
were not used in any species.
 2016-08-17 21:15:34 -04:00
Bryan W. Weber
0e835e4aa2
[Cython/Test] Add Python test for chemistry_enabled 2016-08-12 10:54:59 -04:00
Bryan W. Weber
108b42361f
[Cython] Add interface to new chemistry state methods 2016-08-12 10:54:58 -04:00
Ray Speth
e70e5bf5be [SCons] Fix default Python module installation path on Debian/Ubuntu 
If Cantera is being installed to /usr/local, then on Debian-based distros, we
want the Python module to end up in /usr/local/lib/pythonX.Y/dist-packages,
which is actually the default behavior. However, /usr/local/... is *not* the
default installation prefix for Python modules on some other distros (On Fedora,
at least, it's /usr/) so using the default needs to be conditioned on the actual
distro.
 2016-07-29 14:52:42 -04:00
Ray Speth
fd9d60f1ec [ck2cti] Add support for MWON and MWOFF keywords 2016-07-28 18:40:10 -04:00
Ray Speth
1e5eb8c871 [Kinetics] Add option for Motz & Wise correction to sticking reactions 2016-07-28 18:38:40 -04:00
Santosh Shanbhogue
036eeb1678 [Python/Examples] Added option to plot results for premixed twin flame 2016-07-27 17:02:02 -04:00
Santosh Shanbhogue
1dc7071ba6 [Python/Examples] Updated premixed counterflow twin flame example 
Corrected method of calculating strain-rate, and added functionality to compute
consumption speed
 2016-07-27 17:02:02 -04:00
Ray Speth
5ec525d516 [Python/Test] Fix spurious test failures caused by assertAlmostEqual 2016-07-25 16:11:26 -04:00
Ray Speth
6b588c5140 [Python/1D] Fix default transport model selection 
Broken in bd8a5d0, since the base Transport class no longer returns a false
value for the transport_model property.
 2016-07-25 15:35:25 -04:00
Ray Speth
3b522dcfb0 [Python/1D] Print exception messages after failed auto-solve attempts 
This helps with debugging cases where the solver fails, especially, if the
failures are not convergence-related and cannot be resolved by successive
attempts at solving the problem.
 2016-07-25 15:33:07 -04:00
Ray Speth
feca44aa2d [SCons] Install to lib64 directory on operating systems that use this 
Resolves #318.
 2016-07-25 14:42:46 -04:00
Ray Speth
aa42aa5c81 [ck2cti] Add tests for surface mechanism conversion 2016-07-15 17:57:13 -04:00
Ray Speth
cff277d350 [ck2cti] Add support for sticking reactions 2016-07-15 17:57:13 -04:00
Ray Speth
ff3429faa9 [ck2cti] Support different units in different REACTIONS sections 
This is helpful when combining gas and surface mechanisms which may be written
using different energy units.
 2016-07-15 17:57:13 -04:00
Ray Speth
de9bb5b1c9 [ck2cti] Add support for surface coverage dependencies 2016-07-15 17:57:13 -04:00
Ray Speth
db90a7c0a1 [ck2cti] Support conversion of surface mechanism files 2016-07-14 22:19:33 -04:00
Ray Speth
00d254a1c2 [Python] Add function to write CSV file from SolutionArray 2016-07-13 17:11:34 -04:00
Ray Speth
faa4c36e1d [Python/Examples] Update examples to use new SolutionArray features 2016-07-09 19:15:07 -04:00