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762 commits

Author SHA1 Message Date
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
8ada40f0be
[Matlab] Add interface to setChemistry 2016-08-12 11:53:53 -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
Bryan W. Weber
fea1a36294
Rename minimal Python interface package 
The name 'Cantera (minimal)' conflicts with PEP 503 because of the
parentheses.
 2016-08-11 19:10:16 -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
69f25b41dc [Matlab] Fix default threshold value when displaying phase info 
At some point (after version 2014b), Matlab started passing an additional
argument to 'display', which broke the logic for setting the default
threshold. This caused all composition data to be excluded from the report shown
by typing the name of the phase object.
 2016-07-13 17:11:34 -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
Ray Speth
8ffbbea93f [Python/Examples] Save correct system state after integration step 2016-07-09 19:15:07 -04:00
Ray Speth
b4f2f82fe3 [Python/Examples] Rename 'gri3' to more generic 'gas' 2016-07-09 19:15:07 -04:00
Ray Speth
001b7e91eb [Python] Add species slicing support to SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
f2ac1f2347 [Python] Allow SolutionArray to carry 'extra' variables 2016-07-09 19:15:07 -04:00
Ray Speth
59e0f5a6d9 [Python/Examples] Update examples to use SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
beb2056926 [Python/Test] Add tests for SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
69bec844fd [Python] Fix setting composition using arrays with singleton dimensions 2016-07-09 19:15:07 -04:00
Ray Speth
deafbf8888 [Python] Allow setting SolutionArray using mass/mole fraction arrays 2016-07-09 19:15:07 -04:00
Ray Speth
00b104af50 [Python/Doc] Add documentation for class SolutionArray 2016-07-09 19:15:07 -04:00
Ray Speth
2d32a35eab [Python] Make SolutionArray compatible with InterfacePhase 2016-07-09 19:15:06 -04:00
Ray Speth
366ff043ff [Python] Make SolutionArray compatible with PureFluid 2016-07-09 19:15:06 -04:00
Ray Speth
5c23ea3b4c [Python] Implement SolutionArray.append 2016-07-09 19:15:06 -04:00
Ray Speth
b51b844fb4 [Python] Add more properties to SolutionArray 
Add Kinetics and Transport properties, as well as pass-throughs for properties
and functions which are independent of the state.
 2016-07-09 19:15:06 -04:00
Ray Speth
21a1be8e0a [Python] Add Solution.state to allow faster iteration over states 2016-07-09 19:15:06 -04:00
Ray Speth
78d275b2a2 [Python] Basic implementation of SolutionArray for thermo properties 2016-07-09 19:15:06 -04:00
Ray Speth
bd8a5d0bc9 [Transport] Replace numerical constants for Transport types with strings 2016-07-07 22:52:25 -04:00
Ray Speth
7f21aa0f45 [Kinetics] Replace numerical constants for Kinetics types with strings 2016-07-07 21:36:11 -04:00
Ray Speth
0f71bbcec5 [Thermo] Replace numerical constants for ThermoPhase types with strings 
Deprecate ThermoPhase::eosType and related methods
 2016-07-07 21:36:11 -04:00
Ray Speth
e12738a5c4 [CTI/Doc] Species and element names must be separated by spaces 
Documentation claimed commas could be used as well, but this did not actually
work.

Resolves #341.
 2016-06-29 18:13:41 -04:00
Ray Speth
4b8f8b692a [Reactor] Deprecate Wall-based method for adding surface chemistry 
The new method using class ReactorSurface should be used instead.
 2016-06-28 14:37:59 -04:00
Ray Speth
a7aec575a9 [Matlab] Make ReactorSurface available in Matlab 2016-06-28 14:37:59 -04:00
Ray Speth
c3b9a0c821 [Python] Make ReactorSurface available from Python 2016-06-28 14:16:18 -04:00