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Author SHA1 Message Date
agarwalrounak
7523022d71 Update diamond.cti and diamond_cvd.py 
Replace data/inputs/diamond.cti with test_problems version that has
more information. This results in a change in the default pressure and
mole fractions of the gas phase, which in turn changes the result of
one of the regression tests. This is fixed by setting the composition
and pressure of the gas phase in the test to their original values. The
default state from the CTI file matches from the paper.

In addition, there was a difference in the reversibility of reaction u
between the files. Since the thermo for C(d) specifies that the
reaction is irreversible, this is the sense of the reaction that is
chosen.

Include plotting in the diamond_cvd.py and use open properly.
 2019-08-05 14:09:03 -04:00
Ray Speth
5861bc174d [Test] Remove unused files from test_problems directory 2016-11-14 00:16:34 -05:00
Ray Speth
14b9454819 [C++] Clean up of top-level headers 
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.

Deprecate some top-level headers which are not really useful.
 2016-05-14 16:10:10 -04:00
Ray Speth
a945ef2c23 Make use of initializer lists where appropriate 2015-10-17 18:58:50 -04:00
Ray Speth
5ed6d9a2af [Test] Fix compilation errors with VS2015 2015-09-08 12:26:58 -04:00
Ray Speth
e4c45b6429 General whitespace cleanup 
Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
 2015-08-02 23:06:15 -04:00
Ray Speth
d308944509 [Test] Remove unused, platform-specific 'runtest' scripts 2015-07-15 12:17:11 -04:00
Ray Speth
063c2a261a Eliminate redundancy between get_XML_File and get_CTML_Tree 
get_CTML_Tree and getCtmlTree are now deprecated in favor of get_XML_File
 2014-07-30 16:58:55 +00:00
Ray Speth
c7ba8bfb84 Remove abandoned autotools build system 2014-03-04 17:38:53 +00:00
Ray Speth
d253fc0d63 Eliminate redundant standard library includes 2013-06-05 17:08:13 +00:00
Ray Speth
e1702e74a8 [Test] Updated blessed output files using correct physical constants 
The output for these tests changed after the values of the physical constants
were updated in r1539.
 2013-04-24 21:47:27 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Ray Speth
88bb6fe679 Removed obsolete C++ Chemkin mechanism converter 2012-07-26 20:49:50 +00:00
Nicholas Malaya
c9acf2a5d3 [cantera]: lowering precision requirements in several tests 2012-07-17 15:50:35 +00:00
Nicholas Malaya
532141a107 [cantera2.0]: adding missing -lexecstream -pthread to makefile.am in tests 2012-06-19 02:06:23 +00:00
Nicholas Malaya
70db937d32 [cantera2.0]: 2nd round of test makefiles edited 2012-06-18 16:16:55 +00:00
Ray Speth
16da33ad42 Fixed compiler warnings in the test suite 2012-05-25 23:13:30 +00:00
Ray Speth
7676097b4a Removed execute permission from nonexecutable files 2012-03-13 17:32:41 +00:00
Ray Speth
54efbaa320 Rewrote exception handling to be more general and more explicit 
CanteraError inerits from std:exception, so now it has a what() method
that is used to print a message describing the exception. Adding an
exception to the Cantera error stack now requires explicitly calling
the .save() method.
 2012-03-05 20:45:56 +00:00
Ray Speth
6cb4bd93ce Cleaned up whitespace in all Python files using reindent.py 
4 spaces per indentation level, no tabs, no trailing whitespace,
and a single newline at end of each file.
 2012-02-27 18:13:05 +00:00
Ray Speth
f7a4e3de64 diamondSurf and min_python/diamond tests now use the same code 2012-02-23 21:25:27 +00:00
Ray Speth
0b8d2ec223 Removed includes of Cantera.h from the regression tests 2012-02-15 01:00:46 +00:00
Ray Speth
1bffc6e150 Fix include paths for tests and samples 2012-02-12 02:47:21 +00:00
Ray Speth
a6f939c2fe Applied consistent formatting to all C++ code 
Done using astyle:
astyle --style=kr --add-brackets --indent=spaces=4 --indent-col1-comments --unpad-paren --pad-header --align-pointer=type --lineend=linux
 2012-02-10 17:24:00 +00:00
Ray Speth
75db210a43 Merge branch 'pecos_autotools' into 'trunk' 
This merge skips some of the source tree rearrangement from the
autotools branch, so the autotools build system is not presently
working.

Conflicts:
	Cantera/cxx/include/kinetics.h
	Cantera/cxx/include/zerodim.h
	Cantera/cxx/src/Cantera.h
	Cantera/cxx/src/importPhase.cpp
	Cantera/cxx/src/importPhase.h
	Cantera/cxx/src/thermo.h
	Cantera/cxx/src/transport.h
	Cantera/ext/f2c_libs/arith.hwin32
	Cantera/ext/f2c_libs/arithchk.c
	Cantera/ext/f2c_libs/ftell64_.c
	Cantera/ext/f2c_libs/pow_qq.c
	Cantera/ext/f2c_libs/qbitbits.c
	Cantera/ext/f2c_libs/qbitshft.c
	Cantera/ext/f2c_math/mkl_cblas.h
	Cantera/ext/f2c_recipes/Makefile.in
	Cantera/ext/f2c_recipes/simp1.c
	Cantera/ext/f2c_recipes/simp2.c
	Cantera/ext/f2c_recipes/simp3.c
	Cantera/ext/f2c_recipes/simplx.c
	Cantera/ext/f2c_recipes/splie2.c
	Cantera/ext/f2c_recipes/splin2.c
	Cantera/ext/f2c_recipes/spline.c
	Cantera/ext/f2c_recipes/splint.c
	Cantera/ext/recipes/Makefile.in
	Cantera/ext/recipes/simp1.f
	Cantera/ext/recipes/simp2.f
	Cantera/ext/recipes/simp3.f
	Cantera/ext/recipes/simplx.f
	Cantera/ext/recipes/splie2.f
	Cantera/ext/recipes/splin2.f
	Cantera/ext/recipes/spline.f
	Cantera/ext/recipes/splint.f
	Cantera/ext/tpx/CMakeLists.txt
	Cantera/ext/tpx/ideal.cpp
	Cantera/ext/tpx/lkw.cpp
	Cantera/ext/tpx/lkw.h
	Cantera/src/base/config.h.in
	Cantera/src/converters/ck2ctml.cpp
	Cantera/src/converters/ck2ctml.h
	Cantera/src/numerics/NonlinearSolver.cpp
	Cantera/src/numerics/ctlapack.h
	Cantera/src/numerics/sort.cpp
	ChangeLog
	License.rtf
	docs/install_examples/cygwin_gcc344_f2c_numeric.sh
	docs/install_examples/linux.64_sierra_gcc444_python264_numpy
	docs/install_examples/linux_rhel5_64_gcc424_dbg_python264_numpy
	docs/install_examples/sol10_64bit_CC57_py24_numarray
	examples/cxx/flame1.cpp
	ext/f2c_libs/arithchk.c
	ext/f2c_libs/arithchk/arithchk.c
	ext/math/gmres.h
	test_problems/ChemEquil_gri_pairs/runtest
	test_problems/ChemEquil_ionizedGas/runtest
	test_problems/ChemEquil_red1/basopt_red1.cpp
	test_problems/VCSnonideal/NaCl_equil/Makefile.in
	test_problems/VPsilane_test/runtest
	test_problems/cathermo/DH_graph_1/runtest
	test_problems/cathermo/DH_graph_NM/runtest
	test_problems/cathermo/DH_graph_Pitzer/runtest
	test_problems/cathermo/DH_graph_acommon/runtest
	test_problems/cathermo/DH_graph_bdotak/runtest
	test_problems/cathermo/HMW_dupl_test/runtest
	test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp
	test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp
	test_problems/cathermo/VPissp/runtest
	test_problems/cathermo/ims/runtest
	test_problems/cathermo/issp/runtest
	test_problems/cathermo/stoichSubSSTP/runtest
	test_problems/cathermo/testIAPWS/runtest
	test_problems/cathermo/testIAPWSPres/runtest
	test_problems/cathermo/testIAPWSTripP/runtest
	test_problems/cathermo/testWaterPDSS/runtest
	test_problems/cathermo/testWaterTP/runtest
	test_problems/cathermo/wtWater/runtest
	test_problems/cxx_ex/equil_example1.cpp
	test_problems/cxx_ex/examples.cpp
	test_problems/cxx_ex/kinetics_example1.cpp
	test_problems/cxx_ex/kinetics_example2.cpp
	test_problems/cxx_ex/kinetics_example3.cpp
	test_problems/cxx_ex/rxnpath_example1.cpp
	test_problems/cxx_ex/transport_example1.cpp
	test_problems/cxx_ex/transport_example2.cpp
	test_problems/mixGasTransport/runtest
	test_problems/nasa9_reader/runtest
	test_problems/negATest/runtest
	test_problems/printUtilUnitTest/runtest
	test_problems/pureFluidTest/runtest
	test_problems/rankine_democxx/runtest
	test_problems/silane_equil/runtest
	test_problems/surfSolverTest/runtest
	test_problems/surfSolverTest/runtest2
	test_problems/surfkin/runtest
	tools/testtools/Makefile.in
 2012-02-10 16:22:02 +00:00
Nicholas Malaya
35c088a406 [cantera]: removing all these makefile.in's 2012-02-07 16:43:23 +00:00
Nicholas Malaya
79dc264134 [cantera]: adding diamond surface test, moving home and getting some food. 2012-02-07 00:52:40 +00:00
Ray Speth
b88846e5e0 Fixed C++ tests that were failing under Windows 
Visual Studio defaults to 3-digit exponents when printing in scientific
notation. The tests now use a MSVC-specific function to change this
behavior when necessary.
 2012-01-09 17:35:28 +00:00
Ray Speth
71588d307d Remove files for Autotools and Visual Studio build systems 2011-12-14 19:38:10 +00:00
Harry Moffat
201117842e ignore list maintenance. 2009-07-29 15:22:58 +00:00
Harry Moffat
c22dfbd9c2 Added a test against build_with_f2c 
Took out src_dir_tree checks
 2008-01-15 16:54:27 +00:00
Dave Goodwin
ba5928083f added thread safety option 2007-05-10 03:28:30 +00:00
Dave Goodwin
fea8c985f5 reorganized source tree, changed include files, etc. 2007-05-04 15:18:40 +00:00
Harry Moffat
40255fcf4c doxygen update 
More work on MultiPhase. Fixed some errors in elementAbundance calc
   too.
Added the definitions
   AssertTrace(), AssertThrow(),  and AssertThrowMsg() for a  debug assertion
   capability. Added them to a test problem to make sure that
   they actually compile.
 2007-03-29 23:54:32 +00:00
Harry Moffat
51a5f82474 Doxygen update: 
Added info to DebyeHuckel. It's getting to be near a documented state.
test suite fix:
   fixed Makefile.in's. The .depends were not being included in the Makefiles.
   It should now be more stable.
 2007-03-11 19:46:14 +00:00
Harry Moffat
6b2b1ad51a Doxygen update for SurfPhase 
Also added a Surfphase(XML_node &) constructor.
 2007-02-23 16:52:07 +00:00
Harry Moffat
db17641781 Doxygen additions - Focused on documenting the Shomate Polynomials. 2007-02-16 17:03:00 +00:00
Harry Moffat
289eb43afb solaris port 
added the CXX_DEPENDS variable.
 2006-12-14 18:43:08 +00:00
Harry Moffat
07844d92f7 Added the diamond.xml file. It's now a prerequisite towards running 
the problem.
 2006-06-22 13:43:50 +00:00
Harry Moffat
bbcaebc26c changed the input file to diamond.xml, so that python="none" installations 
will pass this test.
 2006-06-20 22:48:41 +00:00
Harry Moffat
a4d26314e3 Fixed typo. 2006-04-30 21:37:47 +00:00
Harry Moffat
43d38e47ba Additions for solaris. 2006-04-30 21:36:15 +00:00
Harry Moffat
6e02cbd8e3 Fixed this test so that it can work in the srcdirtree environment. 2006-03-03 15:29:44 +00:00
Dave Goodwin
2a963debde *** empty log message *** 2005-11-22 18:50:19 +00:00
Dave Goodwin
a6b65715d7 *** empty log message *** 2005-09-13 17:10:43 +00:00
Dave Goodwin
9bd690ae04 Prerelease_1_6_0_branch merged into trunk 2005-06-18 16:58:39 +00:00
Harry Moffat
c478aa74dd turned off automatic compilation during make test for windows machines. 2004-09-16 17:52:37 +00:00
Harry Moffat
d021f3f7dc MSVC differences no longer matter. 2004-08-10 01:06:57 +00:00
Harry Moffat
17c1a14ea9 Added pc file. 2004-08-09 22:06:15 +00:00
Harry Moffat
11d73d12c1 Added depends target to makefiles 2004-07-29 22:14:33 +00:00