Commit graph

4915 commits

Author SHA1 Message Date
Harry Moffat
e032e9e56b Took out a print statement that caused crashes on some systems that don't define PYTHONPATH
Thanks Ray for pointing this out.
2014-03-16 02:52:55 +00:00
Harry Moffat
39651964a7 Added back Statmech and PecosTransport.
Rarefied gas dynamics is an import application area for Sandia, and
    it represents a potentially important development direction for Cantera.
    These classes provide inroads into that area.
2014-03-15 02:57:00 +00:00
Harry Moffat
3d5aa42e77 Fixed the LD_LIBRARY_PATH and PYTHONPATH specifications for scons's test suite on multiuser linux boxes.
The user's environmental variables are now passed down to the tests. Previously they had been ignored.
All of the python tests (minimal and full) had been failing for over a year or so for any installations which actually use the
LD_LIBRARY_PATH and PYTHONPATH environmental variables, which pretty much consists of all multiuser linux
machines.
2014-03-14 23:56:55 +00:00
Victor Brunini
b0ecf96cb6 Trying out a cleaner way knowing when expensive state functions need to be recomputed. 2014-03-13 23:50:31 +00:00
Ray Speth
89eab1bb48 [Thermo] Remove redundant implementations of logStandardConc
For the cases where logStandardConc just calls standardConcentration,
rely on the default implementation in class ThermoPhase.
2014-03-13 21:35:49 +00:00
Ray Speth
d0b3ad3d4b [SCons] Remove deprecated 'legacy_headers' option 2014-03-13 21:35:44 +00:00
Ray Speth
6266986d7b [SCons] Add specific targets for building the docs
Documentation can be built independently of the code by using the 'scons sphinx'
and 'scons doxygen' commands, as an alternative to using the options
'sphinx_docs=y' and 'doxygen_docs=y' to 'scons build'.
2014-03-13 21:35:39 +00:00
Ray Speth
e09c6ca304 Update compilation instructions 2014-03-13 21:35:32 +00:00
Ray Speth
f46f755057 [SCons] Remove unnecessary include directories 2014-03-13 21:35:24 +00:00
Ray Speth
2fb9ff630d Remove abandoned StatMech and PecosTransport classes 2014-03-13 21:35:11 +00:00
Victor Brunini
48ec4dc65c HMWSoln::s_update_lnMolalityActCoeff() performance improvement.
Only do the expensive update if state has changed.
2014-03-13 18:35:00 +00:00
Victor Brunini
e62ce054ce Style changes to be consistent with the rest of Cantera.
Thanks for the code review.
2014-03-13 16:49:10 +00:00
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
4458933420 Fix alignment of ThermoPhase::report output on Windows
Windows uses 3 digits in the exponent, for which there wasn't enough
space being allocated in the columns for the specific properties.
2014-03-13 02:19:19 +00:00
Ray Speth
b65a27e513 [SCons] Extract common default compiler flags 2014-03-13 02:19:15 +00:00
Ray Speth
94301d22ba [Scons] Use compiler-independent method for handling NDEBUG 2014-03-13 02:19:12 +00:00
Ray Speth
0ba2294af0 [SCons] Remove unnecessary compiler flags
These flags all correspond to default compiler behavior
2014-03-13 02:19:08 +00:00
Ray Speth
9b37d7d961 [SCons] Fix default compiler options with non-default compiler paths
Try to identify the compiler based on a substring match rather than the
exact string, which will still work when the full path to the compiler
is given, or a version-tagged binary is used.
2014-03-13 02:19:05 +00:00
Ray Speth
62177ebc4d [SCons] Improve detection of MinGW as the default compiler 2014-03-13 02:19:01 +00:00
Victor Brunini
584abf0d10 Performance improvements for HMWSoln and MaskellSolidSolnPhase.
HMWSoln: avoid recomputing lambdas if ionic strength hasn't changed.

MaskellSolidSolnPhase: Avoid recomputing activity coefficients if
r and T haven't changed.
2014-03-12 20:37:04 +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
6a51eb88dc [Thermo] Move modifyOneHf298SS and m_tlast to ThermoPhase
This eliminates many duplicate implementations of this function and
declarations of this variable.
2014-03-08 21:46:58 +00:00
Victor Brunini
ee94266939 MaskellSolidSolnPhase: throw in unimplemented functions. 2014-03-07 17:21:14 +00:00
Victor Brunini
1565bad198 MaskellSolidPhaseSoln thermo updates.
Fix sign error in chemical potentials and update
activity coefficients accordingly.

Correct implementation of getActivityConcentrations()

Additional unit tests.
2014-03-07 17:14:13 +00:00
Victor Brunini
0981391ac4 Implement and test MaskellSolidSolnPhase::getActivityCoefficients(). 2014-03-07 00:53:33 +00:00
Victor Brunini
7abb459bbe Implement MaskellSolidSolnPhase::standardConcentrations() and getActivityConcentrations() 2014-03-06 22:30:19 +00:00
Victor Brunini
5898bf025f Implement MaskellSolidSolnPhase::getPartialMolarVolumes()
User VPStandardStateVP as base class and just return
the standard state molar volumes.
2014-03-06 20:23:23 +00:00
Harry Moffat
b328e396b0 screwed up and didn't check in a complete fix 2014-03-06 17:37:41 +00:00
Harry Moffat
7078ac4d18 Added constructor info to prevent segfaults
However, need to flesh the whole class out to be useful in Electrode objects.
2014-03-06 17:03:23 +00:00
Harry Moffat
a58fc91f01 Added back a routine that caused numerous downstream failures. 2014-03-06 04:02:01 +00:00
Victor Brunini
e7a24f7acd Unit test ThermoPhase::getElementPotentials and setElementPotentials. 2014-03-06 01:06:25 +00:00
Victor Brunini
d983660c77 Fix ThermoPhase::getElementPotentials and setElementPotentials
Broken in r2719.
2014-03-06 00:40:50 +00:00
Victor Brunini
32ce311bed Fix Issue 209.
installShomateThermoFromXML now checks that
7 coefficients are supplied in the floatArray and
throws if that is not the case.

Also update MaskeLLSolidSolnPhase_Test xml files
to correctly contain 7 coefficients to not trigger
the newly added throw.
2014-03-06 00:08:58 +00:00
Ray Speth
30bf2c806f [Scons/Test] Allow test suite to continue if gtest crashes
If a gtest program crashes, register that as a single test failure.
Previously, the entire test suite would be aborted because the
attempt to open the test results file (gtest-foo.xml) would fail.
2014-03-05 03:25:19 +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
c7ba8bfb84 Remove abandoned autotools build system 2014-03-04 17:38:53 +00:00
Ray Speth
10200524c2 Fix linker error when using MSVC
Regression was introduced in r2755.
2014-03-03 03:50:04 +00:00
Victor Brunini
93fcf181b1 Initial pass at implementing Maskell solid solution ThermoPhase.
Based on Maskell, Shaw, and Tye, Electrochimica Acta 28(2) 225-230 1983.
Includes unit tests checking calculation of the chemical potential values
and parsing of the mixing enthalpy parameter from an XML file.
2014-02-28 00:38:09 +00:00
Ray Speth
a313873b03 [Doc] Point to SourceForge for downloads 2014-02-24 03:25:46 +00:00
Ray Speth
c3be6cc7fa Mention downloads on Sourceforge in README 2014-02-24 03:25:42 +00:00
Ray Speth
608184ecea [SCons] Fix 'command too long' error with MinGW compilation 2014-02-24 03:25:38 +00:00
Ray Speth
ea040e1a5e [SCons] Always link to static standard libraries with MinGW 2014-02-24 03:25:34 +00:00
Ray Speth
6e72f8930f [SCons] Fix Cython module compilation with MinGW 2014-02-24 03:25:30 +00:00
Ray Speth
a02d3193de [SCons] Remove unused 'rpfont' configuration variable 2014-02-24 03:25:25 +00:00
Ray Speth
ae5fa4a042 [SCons] Add test for Fortran library
Check for both the Fortran compiler and the corresponding Fortran library before
deciding whether to build the F90 interface. This will automatically disable the
F90 interface on platforms that provide gfortran but don't put libgfortran in a
standard location.
2014-02-24 03:25:19 +00:00
Ray Speth
7edc16d7c1 [SCons] Use more generic flag for warning suppression
Older versions of Clang don't support '-Wno-unused-result'.
2014-02-24 03:25:15 +00:00
Ray Speth
0ff3afe5ea [SCons] Fix warning suppression in external code 2014-02-21 19:08:54 +00:00
Ray Speth
dba9ddd858 Fix miscellaneous integer sign/size warnings 2014-02-21 19:08:47 +00:00