Commit graph

4755 commits

Author SHA1 Message Date
Ray Speth
a8e884d34e [SCons] Check for incompabible BLAS/LAPACK when building Matlab toolbox
Matlab's practice of substituting an "8 byte integer" BLAS/LAPACK
library for the "4 byte integer" BLAS/LAPACK libraries that Cantera is
designed to use causes Cantera to crash. This can only be avoided by
statically linking Cantera to BLAS and LAPACK, e.g. by using the
BLAS/LAPACK implementations included with Cantera.

Since the Matlab toolbox itself needs to be a shared library, it is
not usually possible to link statically link it with vendor-provided
BLAS/LAPACK libraries, since they are not compiled with the
appropriate options, i.e. '-fPIC'.

Resolves Issue 34.
2013-12-18 17:45:25 +00:00
Ray Speth
28dbcf072e [Kinetics] Remove the deprecated 'WF93' Falloff function 2013-12-16 23:22:09 +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
Bryan W. Weber
1a2404aea5 [Reactor] Make default wall area 1.0 m^2
This makes the default consistent with the documentation in the Python
module.

Fixes Issue 194.
2013-12-16 23:21:58 +00:00
Ray Speth
e1a49487b7 [Kinetics] Remove deprecated getActivationEnergies function
Resolves Issue 147.
2013-12-16 23:21:52 +00:00
Ray Speth
28bbbf514c Remove deprecation warning about Sundials < 2.4 from CVodesIntegrator 2013-12-16 23:21:45 +00:00
Ray Speth
54d11a016a Remove support for old Sundials versions
Supported Sundials versions are 2.4 and 2.5.
2013-12-14 00:18:17 +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
12f3b2739c [Doc] Add ideal gas reactor classes to the Sphinx documentation 2013-12-14 00:18:04 +00:00
Ray Speth
d959b34541 [Doc] Fix typos in documentation of reactor model
Resolves Issue 191.
2013-12-14 00:18:00 +00:00
Ray Speth
1215f05da7 [Kinetics] Remove deprecated GRI30 class
Resolves Issue 134.
2013-12-14 00:17:54 +00:00
Ray Speth
3541a8d0bb [Test] Skip tests which require ctml_writer when python_package=none 2013-12-09 01:36:27 +00:00
Ray Speth
72515dcc99 [Test] Eliminate text-based comparison of XML files
The order of XML attributes within a node has no meaning, and is not
consistent when the attributes are represented as a Python dict, as in
ctml_writer.py. As a result, comparing the text representation of the
XML generates spurious errors when the order changes.
2013-12-09 01:36:24 +00:00
Ray Speth
f63f8ae57e Remove deprecated HTML logging functionality 2013-12-09 01:36:11 +00:00
Ray Speth
e7e5d739a1 [Test] Fix some issues with PYTHONPATH 2013-12-09 01:36:03 +00:00
Ray Speth
cf4ae23587 [Python] Remove support for obsolete 'numarray' and 'numeric' packages 2013-12-09 01:35:58 +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
24a8d07b60 [SCons] Minor cleanup of SConstruct 2013-12-09 01:34:20 +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
b280af2af1 [SCons] Fix PYTHONPATH used by test suite
This was broken by changes made in r2535.
2013-12-09 01:34:11 +00:00
Ray Speth
3e4ccd4027 [Thermo] Make modification of discontinuous NASA polynomials optional
Adding the attribute allow_discontinuities="true" to a phase's
'thermo' node (CTML) or adding 'allow_discontinuous_thermo' to a
phase's 'options' argument (CTI) will disable the automatic adjustment
of the provided polynomials so that enthalpy and entropy are
continuous at the midpoint temperature.
2013-12-09 01:34:06 +00:00
Ray Speth
6b68564245 Bump trunk version to 2.2a 2013-12-09 01:33:58 +00:00
Ray Speth
9651b16b16 [ctml] Fix constructor for stoichiometric_solid phase
Error introduced in r2579
2013-12-06 23:45:22 +00:00
Ray Speth
a289e6f613 [ck2cti] Add support for species names containing '+' and '=' 2013-12-06 23:15:24 +00:00
Ray Speth
4107b268ce [ck2cti/Test] Eliminate confusing messages from expected errors
Suppress error messages from tests of ck2cti that use bad input to
test that input validation is working correctly.
2013-12-06 23:15:21 +00:00
Ray Speth
a786135f13 [ck2cti] Add support for truncated section header names
Accept truncated section names such as 'REAC' for 'REACTIONS' and
'ELEM' for 'ELEMENTS'.
2013-12-06 23:15:18 +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
5dd2f3164a [Thermo] Fix printed labels in phase report when show_thermo=False 2013-12-06 23:15:11 +00:00
Ray Speth
025da8b4c0 [Matlab] Remove broken ck2ctml function
There are three problems with this function. It does not work, since
it calls ctmethods with the wrong number of arguments. Even if that
were fixed, it wouldn't do what it claims, as the method it calls
generates a CTI file, not an XML file. Finally, it is redundant, as
the 'ck2cti' function can be used for generating the CTI file, and the
CTI to XML conversion is handled automatically when importing the
phase.

Therefore, this function is being removed.
2013-12-06 23:15:08 +00:00
Ray Speth
af0b0f2211 [Python/Test] Run tests that were being accidentally ignored 2013-12-05 20:54:11 +00:00
Ray Speth
1a291b47fe [CTI] Add optional 'note' field to Phase definitions
The note field is preserved when converting to XML, and can be used to
store extra information used by applications other than Cantera.
2013-12-05 20:54:08 +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
fb9de92058 [Docs] Fix typos in a few equations 2013-12-05 20:54:03 +00:00
Ray Speth
75bc6312ab [Matlab/Samples] Fix tolerances on flame example 2013-12-05 20:54:01 +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
bbaf0ff7a0 Fix CXX flags for VS2012
Resolves Issue 184.
2013-11-12 23:44:42 +00:00
Ray Speth
d7c939e60c [Cython/Doc] Migration guide covers transport model and Soret effect 2013-11-03 21:06:54 +00:00
Ray Speth
6d7ec8df43 [Matlab] Fix 'thermalConductivity' method 2013-11-03 20:46:38 +00:00
Ray Speth
8b435f6dcb [SCons] Fix a problem with Cantera.mak and user-provided BLAS/LAPACK
All cases need to define the mak_blas_lapack_libs_dep variable that
was introduced in r2535.
2013-10-21 01:55:47 +00:00
Ray Speth
e1074722c5 [SCons] Restore 'single_library' build option
The 'single_library=y' build option must be retained in order to support
compilation on Windows and OS X.
2013-10-04 16:22:55 +00:00
Ray Speth
5fff5ce99f [Thermo] Slightly simplify adding species
Eliminate the freezeSpecies and init methods of class Phase, instead adjusting
array sizes as new species are added.
2013-10-04 16:22:35 +00:00
Harry Moffat
5720d7cf90 Fixed an error where the users data was changed before it was used.
Eliminated some deprecations which were not sanctioned.

Worked on Cantera.mak. There is a problem with scons eliminating $ from strings.
2013-09-06 22:52:59 +00:00