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Author SHA1 Message Date
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
Ray Speth
0392147540 Fix integer sign/size warnings in XML-related functions 2014-02-21 19:08:40 +00:00
Ray Speth
6f8da1a27e Fix 'unused variable' warnings 2014-02-21 19:08:33 +00:00
Ray Speth
2ead29097c [Thermo] Make signatures of overridden Hf298 functions consistent 2014-02-21 19:08:19 +00:00
Ray Speth
b5c5835ca9 Remove superfluous use of 'inline' 
Member functions defined in the class body are always 'inline'.
 2014-02-21 19:08:13 +00:00
Ray Speth
4a83d6450b Remove unnecessary include of windows.h 2014-02-21 19:08:07 +00:00
Ray Speth
9153c00d94 Remove broken/unused GMRES implementation 2014-02-21 19:08:03 +00:00
Ray Speth
3e073aae27 [SCons] Force relink of Python extension when necessary 2014-02-21 19:07:58 +00:00
Ray Speth
8471200fc1 [Doc] Add class Mixture to Sphinx docs 2014-02-21 19:07:54 +00:00
Ray Speth
16927ae538 [SCons] Workaround for SCons bug under Cygwin 
See SCons Issue 2911.
http://scons.tigris.org/issues/show_bug.cgi?id=2911
 2014-02-20 03:01:05 +00:00
Ray Speth
aad284cce7 [SCons] Fix library linking issues under Cygwin 2014-02-20 03:01:01 +00:00
Ray Speth
44847515ca Fix compilation errors with isnan/isinf using Cygwin's GCC 2014-02-20 03:00:56 +00:00