research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
4929 commits 2 branches 16 tags 37 MiB
Commit graph

229 commits

Author SHA1 Message Date
Ray Speth
df908229b1 [ctml_writer] Fix handling of units in some fields 
When using Python 3, using -1 as the dummy value for density and site_density
causes probems, because the (ordered) comparison between a density specified
with units (as a tuple) and 0 is not allowed. Instead, use None as the
placeholder value.
 2014-03-13 02:19:28 +00:00
Ray Speth
755164397d [ctml_writer] Improve error reporting 
Print a more useful traceback for cases where exceptions are raised in ctml_writer.
 2014-03-13 02:19:23 +00:00
Ray Speth
ec6b65513b [Python] Add multiprocessing example 2014-03-08 21:47:14 +00:00
Ray Speth
98c480c7c7 [Python] Fix docstring of Sim1D.restore 
Resolves Issue 210.
 2014-03-08 21:47:09 +00:00
Ray Speth
c5eb2f57dd [Python] Make Cantera objects explicitly non-picklable and uncopyable. 
Attempting to copy or pickle Cantera objects with an underlying C++ object
previously led to unexpected errors. These operations will not raise excptions
indicating the unimplemented feature.

Resolves Issue 205.
 2014-03-04 17:39:21 +00:00
Ray Speth
6e72f8930f [SCons] Fix Cython module compilation with MinGW 2014-02-24 03:25:30 +00:00
Ray Speth
3e073aae27 [SCons] Force relink of Python extension when necessary 2014-02-21 19:07:58 +00:00
Ray Speth
aad284cce7 [SCons] Fix library linking issues under Cygwin 2014-02-20 03:01:01 +00:00
Bryan W. Weber
3de3842e3c [MixMaster] Fix variable ambiguity in DataFrame.py. 
Fix file not closed bug in importCSV. Import from XML is broken due
to missing XML module.
 2014-02-19 22:45:00 +00:00
Ray Speth
771ff96e86 [MixMaster] Fixes to use Cython function names 
DataFrame.importCSV and dataFrame.importData were still using function names
from the old Python module.
 2014-02-14 16:40:58 +00:00
Ray Speth
377d3877f7 [MixMaster] Fix usage of numpy.zeros and numpy.ones 2014-02-14 16:40:54 +00:00
Ray Speth
03be898300 [ck2cti] Skip non-ASCII characters in input files 2014-02-06 22:58:53 +00:00
Ray Speth
eaceaf7b86 [SCons] Use SCons to compile the Cython extension 
Fixes issues with mismatched compilers between the Cython extension and the
cantera library, especially on OS X. Improves build dependency resolution to
eliminate unnecessary recompilation of _cantera.cpp.
 2014-01-31 23:15:17 +00:00
Ray Speth
d4a9ca0847 [SCons] Fix simultaneous compilation of Python 2 and Python 3 modules 
Use separate SCons Environments so the 'py_include_dirs' variable (which
contains the Numpy include directory) can be distinct for each Python module.
 2014-01-30 00:48:03 +00:00
Ray Speth
ff9584105b Do implicit CTI to XML conversions without generating .xml files 
When instantiating a phase from a .cti file, do the conversion in memory,
without writing the XML representation to disk. This eliminates the unrequrested
XML files that Cantera normally generates, and also avoids errors when running
Cantera from a directory where the user does not have write permissons.
 2014-01-30 00:47:37 +00:00
Ray Speth
3c703eb4ed [Cython/1D] Use 'Mix' transport if no transport model is provided 2014-01-24 20:40:32 +00:00
Ray Speth
c34877a96f [ck2cti] Fix support for species names containing '+' and '=' 
This addesses a parsing error that would occur if a mechanism contained both
'foo' and 'foo+', where reactions written as 'foo+bar' would be parsed as a
reaction with 'foo+' and 'bar'.

See Issue 182.
 2014-01-24 20:40:26 +00:00
Ray Speth
a3d8684d94 [Samples] Explicitly set transport model to 'Mix' for clarity 2014-01-11 00:20:27 +00:00
Ray Speth
f3b1555a6b [Cython] By default, use same interpreter for mechanism conversions 
Fixes failures when only the Python 3 module is present.
 2014-01-09 23:12:03 +00:00
Ray Speth
908b63fccd [Cython] Fix compilation issue when using Clang 2014-01-08 17:10:29 +00:00
Bryan W. Weber
1d1ad21840 [ck2cti] Fix for support of unterminated thermo sections 
Fixes the case where the next section header contains a modifier, e.g. 'thermo
all' or 'reactions <units>'.

See Issue 199.
 2014-01-06 18:47:02 +00:00
Bryan W. Weber
b5c2881f64 [ck2cti] Add extra info about handling of extra thermo parameters 
See Issue 199.
 2014-01-06 18:46:55 +00:00
Bryan W. Weber
e3ab2dbf8a [ck2cti] Improve handling of duplicate species 
Warn when a species is given multiple times in the input list. Do not add the
duplicate species to speciesList.

Resolves Issue 199.
 2014-01-06 18:46:49 +00:00
Bryan W. Weber
f8850963a0 Use b instead of n for temperature exponent 
Resolves Issue 198.
 2014-01-02 22:23:38 +00:00
Bryan W. Weber
b02bb4287a [Doc] Update docstrings in ctml_writer for the NASA thermo classes 
See Issue 196.
 2013-12-18 17:46:27 +00:00
Bryan W. Weber
fc2d7e4ce0 [Reactor] Change 'species' to 'component' in context of sensitivities 
Change the variable named *species* to be named *component*. This
better matches the utility of this variable, since it can be used to
retrieve any of the state variables. Also, update the corresponding
documentation.
 2013-12-16 23:22:04 +00:00
Ray Speth
e1a49487b7 [Kinetics] Remove deprecated getActivationEnergies function 
Resolves Issue 147.
 2013-12-16 23:21:52 +00:00
Ray Speth
f1b28158bf [Reactor] Fix behavior of componentIndex with ambigous names 
The name 'H' can mean either the species by that name or the entahlpy
of the reactor, in the case of ConstPressureReactor, and the previous
behavior always returned the index of the enthalpy.

This changes the behavior to preferentially return the species, and
adds alternative names for reactor state variables that are less
likely to generate namespace collisions: 'mass', 'volume',
'int_energy', 'enthalpy', 'temperature', 'distance', 'velocity'. The
single character names are still supported.

Resolves Issue 193.
 2013-12-14 00:18:12 +00:00
Ray Speth
5b7a8d1b4e [Python/Doc] Improved documentation of sensitivity parameters 2013-12-14 00:18:07 +00:00
Ray Speth
f63f8ae57e Remove deprecated HTML logging functionality 2013-12-09 01:36:11 +00:00
Ray Speth
b5e540c903 [Python] Remove the legacy Python module 2013-12-09 01:35:08 +00:00
Ray Speth
07739c4b1f [Cython] Move CTI/CTML converter tests from old Python module to Cython module 2013-12-09 01:34:50 +00:00
Ray Speth
57f1506d0b [Cython] Move reactor tests from old Python module to Cython module 2013-12-09 01:34:46 +00:00
Ray Speth
59564659b3 [Cython] Move equilibrium tests from old Python module to Cython module 2013-12-09 01:34:41 +00:00
Ray Speth
6ec7d04839 [Cython] Move pure fluid tests from old Python module to Cython module 2013-12-09 01:34:36 +00:00
Ray Speth
24e3f99da4 [Cython] Move kinetics tests from old Python module to Cython module 2013-12-09 01:34:30 +00:00
Ray Speth
70a728c8f7 [Cython] Move thermo tests from old Python module to Cython module 2013-12-09 01:34:25 +00:00
Ray Speth
9dd30c7116 [Test] Adjust integrator tolerances for some reactor tests 
Tests of the old-style ConstPressureReactor with surface reactions were
failing on Windows when using the old (non-Sundials) version of CVODE.
 2013-12-09 01:34:16 +00:00
Ray Speth
b29a6b1c7b [Cython] Direct log output to sys.stdout 
This fixes the problem of some output (notably from the 1D solver)
going to std::cout when that is not the primary output location,
e.g. when using IDLE or the IPython QtConsole.
 2013-12-06 23:15:14 +00:00
Ray Speth
7f35228e3f [Cython] Expose global 'appdelete' method 
Occasionally useful for debugging memory leaks
 2013-12-05 20:54:06 +00:00
Ray Speth
681a08fc8d Fix issues with pure fluids near temperature limits 
Fixes Issue 186.
 2013-11-12 23:44:51 +00:00
Ray Speth
81a8274e99 [Cython] Add 'atomic_weight' method and 'atomic_weights' property 
Resolves Issue 185.
 2013-11-12 23:44:46 +00:00
Ray Speth
6d5b7999de [SCons] Use specified 'python_compiler' to link Python module 
Fixes Issue 179.
 2013-10-15 17:06:35 +00:00
Ray Speth
f871dd8cf0 [SCons] Add 'python_compiler' option for Cython module compilation 2013-10-15 14:59:31 +00:00
Ray Speth
2de0ae6350 [SCons/Cython] Fix library_dirs to include BLAS/LAPACK directory 2013-09-30 01:54:12 +00:00
Ray Speth
a6f4c111e7 [Cython] Add declarations for free functions to _cantera.pxd 2013-09-30 01:53:40 +00:00
Ray Speth
0458eb736f [Cython] Add __init__.pxd to allow 'from cantera cimport ...' 2013-09-28 18:18:23 +00:00
Ray Speth
a6ce399374 [Cython] Move extra Cython-related headers to main include directory 2013-09-28 18:18:12 +00:00
Ray Speth
332569114e [Cython] Install headers needed for derived Cython modules 2013-09-25 23:05:21 +00:00
Ray Speth
7520170f30 [Cython] Improve support for building derived Cython modules 
The .pxd file now contains declarations for all of the cdef classes,
and is installed with the module.
 2013-09-25 22:57:36 +00:00