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Author SHA1 Message Date
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
Harry Moffat
cfa4493b51 Worked on fixing errors in the code that caused problems with downstream code. 
Took out single_species compilation option

took out some deprecated warnings

Fixed an error in copy constructors for thermo.

Still an error with PYTHONPATH and the test suite

 -- more to come.
 2013-09-02 00:58:28 +00:00
Ray Speth
0295f975e0 [Reactor] Refactor handling of sensitivity parameters in evalEqs 2013-07-30 15:57:48 +00:00
Ray Speth
957c88fcff Bump version to 2.1.0 2013-10-24 02:40:14 +00:00
Ray Speth
be1573e85e [SCons] Fix undefined build variable when building MSI 2013-10-24 02:40:12 +00:00
Ray Speth
904e3e66e9 [ck2cti] Accept reaction units declared in either order 
That is, energy followed by quantity or quantity followed by energy.
 2013-10-21 22:13:00 +00:00
Ray Speth
c885a88817 Use fully qualified names for isnan, isinf, and finite 
Specify the versions in the global namespace, to avoid ambiguity
between these and the versions in namespace std that are available in
C++11.
 2013-10-21 22:12:57 +00:00
Ray Speth
94f1b35b79 [ck2cti] Partial support for scientific notation in stoichiometric coefficients 
This won't work for positive exponents, because the '+' will still be
interpreted as a delimiter between terms of the reaction expression.
 2013-10-21 01:55:18 +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
335e8fcd07 [Samples] Fix missing includes in C++ sample programs 2013-10-07 15:17:28 +00:00
Ray Speth
584392d856 [SCons] Fix linking boost_thread in more places 2013-09-30 16:02:39 +00:00
Ray Speth
c028f4cc5c [SCons] Link boost_thread when building cti2ctml 
Fixes compilation errors with some versions of Boost.
 2013-09-30 01:54:18 +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
ddb8bf8eb8 [OneD] Make StFlow::componentIndex virtual 2013-09-30 01:54:06 +00:00
Ray Speth
8498123689 [ck2cti] Show line number for some parsing errors 2013-09-30 01:54:00 +00:00
Ray Speth
f95bc8fb43 [Equil] Avoid floating point overflow from pressure term 
Since computing the residual norm effectively requires p**2, the
correct limit to avoid an overflow is sqrt(DBL_MAX), or roughly
exp(300).

This change fixes crashes due to SIGFPE in cases where floating point
exceptions have been enabled, and also fixes a few cases where the
solver did not previously converge.
 2013-09-30 01:53:54 +00:00
Ray Speth
2ac98393bd [Equil] Remove a calculation with an unused result 2013-09-30 01:53:48 +00:00