Ray Speth
d02ccc5334
Translated the "Defining Phases" guide to Sphinx/reST format
2012-04-04 18:45:15 +00:00
Ray Speth
e323340c73
Fixed building the Python module with MinGW when Visual Studio is not present
2012-04-04 18:45:11 +00:00
Ray Speth
02ccf4f715
Improved formatting of TypeErrors encountered in ctml_writer.py
2012-04-04 18:45:07 +00:00
Ray Speth
47f3bac7ae
Added documentation for the classes used in CTI files
2012-04-04 18:45:03 +00:00
Ray Speth
11a0504c0a
Formatting cleanup of rxninfo::installReaction
2012-04-04 18:44:59 +00:00
Ray Speth
3d9efad94f
Reduced complexity of duplicate reaction detection from n^2 to n*log(n)
2012-04-04 18:44:56 +00:00
Ray Speth
d16f70ab44
Fixed some spelling issues
2012-04-04 18:44:24 +00:00
Ray Speth
5c20b7f2af
SCons: Better error handling when sundials paths are given
...
If sundials_include or sundials_libdir are specified, promote
use_sundials='default' to 'y' so that we won't unexpectedly fall back
to the built in solvers if there's a configuration problem.
2012-04-04 18:44:14 +00:00
Ray Speth
287e4aa67e
Fixed problems detecting and linking to Sundials on Windows
2012-04-04 18:44:11 +00:00
Ray Speth
c26e0591f8
Resolved a few Doxygen warnings
2012-03-30 23:48:56 +00:00
Ray Speth
b4d0f37fc4
Removed unused file: mix.h
2012-03-30 23:48:50 +00:00
Ray Speth
bb54b13997
Removed RMG-specific code from ck2cti.py
2012-03-30 23:48:47 +00:00
Ray Speth
382c4bd02e
Fixed some parsing issues in ck2cti.py
2012-03-30 23:48:44 +00:00
Ray Speth
e4b804b208
Added command line interface to ck2cti.py
2012-03-30 23:48:40 +00:00
Ray Speth
52cf8cecae
Eliminated some unnecessary memory management in stoichiometry managers
2012-03-30 23:48:32 +00:00
Ray Speth
938d767fde
Replaced deprecated syntax in ctml_writer.py
2012-03-30 23:48:29 +00:00
Ray Speth
7bfd094eaf
Implemented Chebyshev rate expressions
2012-03-30 23:48:25 +00:00
Ray Speth
8cbc083854
Simplified AqueousKinetics by eliminating class AqueousKineticsData
2012-03-30 23:48:20 +00:00
Ray Speth
9adbd2dc8f
Simplified GasKinetics by eliminating class GasKineticsData
2012-03-30 23:48:13 +00:00
Ray Speth
4650e05404
Check third-body efficiencies for invalid species identifiers
2012-03-30 23:48:06 +00:00
Ray Speth
64ccd58680
Added a kinetics test suite with tests for P-log reactions
...
Added a sample mechanism file containing P-log and Chebyshev reactions.
2012-03-30 23:47:58 +00:00
Ray Speth
510b25b884
Implementation of P-log rate expressions
...
Also includes skeleton for implementing Chebyshev rates.
2012-03-30 23:47:50 +00:00
Ray Speth
234439d10f
Make use of the ReactionData struct when installing reactions
2012-03-30 23:47:38 +00:00
Ray Speth
b4c07978e6
Implemented parsing of P-log and Chebyshev reactions from CTML
2012-03-30 23:47:31 +00:00
Ray Speth
8386df50b9
ctml_writer now handles Chebyshev and P-log rate expressions
2012-03-30 23:47:27 +00:00
Ray Speth
126dc9e04c
Print error message when missing species thermo
2012-03-30 23:47:24 +00:00
Ray Speth
d456284b8e
Implemented writing the parsed mechanism to a .cti file in ck2cti.py
2012-03-30 23:47:15 +00:00
Ray Speth
a7ae602612
ck2cti.py parses elemental compositions from thermo entries
2012-03-30 23:47:12 +00:00
Ray Speth
dddfd857db
Python ck2cti can read transport properties
2012-03-30 23:47:09 +00:00
Ray Speth
6a4cce979c
Fixed string representations of Species in ck2cti
2012-03-30 23:47:05 +00:00
Ray Speth
cee19f67a6
Fixed handling of reaction delimiters
2012-03-30 23:47:01 +00:00
Ray Speth
c80113d767
Imported a trimmed-down version of the RMG-py Chemkin reader
2012-03-30 23:46:58 +00:00
Ray Speth
96ad13e4f8
Moved docs for basic C++ program to Sphinx
2012-03-30 23:46:53 +00:00
Ray Speth
c44ef99775
Added doxylink Sphinx extension for creating links to Doxygen docs
2012-03-30 23:46:48 +00:00
Ray Speth
ed261a2d68
Moved compilation guide to Sphinx
2012-03-30 23:46:42 +00:00
Ray Speth
4ef4c79be9
Rearranged Sphinx sources so it can be used for more general documentation
2012-03-30 23:46:25 +00:00
Ray Speth
9be5c325f1
Added a Python reactor network test
2012-03-30 23:46:19 +00:00
Ray Speth
7f46371653
Show CVODE error codes when integration fails
2012-03-30 23:46:14 +00:00
Harry Moffat
95700d9641
Added save() to constructors of CanteraError() so that
...
the error will register within the application class.
2012-03-30 01:13:42 +00:00
Ray Speth
80b723cfe7
Python: Fixed reference counting issues with Func objects used by Reactors
...
The C++ Reactor class doesn't own a reference to the Func object. To make
borrowing the reference safe, the Python Reactor class now owns a reference,
which is guaranteed to be valid for the lifetime of the C++ Reactor object.
2012-03-25 23:25:45 +00:00
Ray Speth
bf1f14c178
Ignore negative values when setting composition (mass fractions etc.)
...
This should resolve a number of problems when integrating reactor networks,
as well as some other unexpected behavior.
2012-03-25 23:25:41 +00:00
Ray Speth
c56bfab0ed
Matlab: Allow simpler syntax for creating ReactorNets with one reactor
...
A network with a single reactor can be created with either:
ReactorNet({reactor}), i.e. a single element cell array
or, the new way:
ReactorNet(reactor)
2012-03-24 01:33:54 +00:00
Ray Speth
4feb983688
Fixed some memory leaks in the Python module
2012-03-23 22:16:42 +00:00
Ray Speth
3c83a76e48
Wall radiation heat flux calculation now uses given emissivity
2012-03-23 22:16:37 +00:00
Ray Speth
9124b361dc
Added a few basic thermo tests to the Matlab unit tests
2012-03-23 22:16:28 +00:00
Ray Speth
8ea4ae728a
Moved a few standard library includes to more local scopes
2012-03-23 22:16:04 +00:00
Ray Speth
6c29c0fe84
Syntax errors in CTI files now show more context lines
2012-03-16 14:44:31 +00:00
Ray Speth
4879c6db47
Fixed out-of-bounds string indexing in ck2cti
2012-03-15 22:49:10 +00:00
Ray Speth
f22ecac5c4
Use the Accelerate framework for BLAS and LAPACK on OS X
2012-03-15 22:49:04 +00:00
Ray Speth
9dc9ddc1bc
Fixed removal of the Matlab unit test output file
2012-03-15 22:48:59 +00:00
