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482 commits

Author SHA1 Message Date
Ray Speth
11fd72c26f SCons now builds the Cython-based Python 3 package 2012-09-06 19:58:03 +00:00
Ray Speth
2bd25f52b4 Simplified setup.py for new Python module 
The removed parts are not necessary since the compiled module no
longer links to the Cantera shared library.
 2012-09-06 19:57:13 +00:00
Ray Speth
95b75409be Include data files with the new Python module 2012-09-06 19:56:51 +00:00
Ray Speth
dfb18b461e Rearranging Cython module into a single shared object 
This is necessary to deal with DLL linking limitations on Windows
 2012-09-06 19:56:03 +00:00
Ray Speth
3a838018fc Use SCons to generate a customized setup.py for the new Python module 2012-09-06 19:55:34 +00:00
Ray Speth
8afc669b67 Proof-of-concept for a Python interface written using Cython 
This module is compatible with both Python 2 and Python 3. Unlike the existing
Python module, this module directly utilizes the Cantera C++ interface,
bypassing the "clib" compatibility layer, as well as all of the direct use of
the Python C API.

Currently, this contains just enough to instantiate a ThermoPhase object from an
XML input file.
 2012-09-06 19:55:25 +00:00
Ray Speth
f45b2b1ddc Removed unused variable 'm_efctr' from StFlow 2012-08-29 22:13:59 +00:00
Ray Speth
58514d790d Improve comments on OneD eval() function 
Patch supplied by Thomas Fiala.
 2012-08-29 22:13:56 +00:00
Nicholas Malaya
852707544c updating makefile 2012-08-17 20:52:21 +00:00
Ray Speth
49dbb605ab Changed parseCompString to simplify its typical usage pattern 2012-08-17 16:44:34 +00:00
Ray Speth
fe72446fa0 Factored out a helper function for setState_HPorUV and setState_SPorSV 2012-08-17 16:44:24 +00:00
Ray Speth
848eb619dd Simplified conditional statements in SetState_HPorUV and SetState_SPorSV 2012-08-17 16:44:16 +00:00
Ray Speth
3fbf298a21 Removed redundant implementation of speciesThermo() from LatticeSolidPhase 2012-08-17 16:44:07 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
08f1e48371 Fixed calculation of some multicomponent transport properties 
For some properties, the internal temperature-dependent properties
were being updated in the wrong order.

cherry-pick of r1636 from 2.0 maintenance branch
 2012-08-13 20:14:10 +00:00
Ray Speth
443e35bc36 Removed obsolete method for calculating initial mole fractions in VCS solver 
This has the extra benefit of allowing removal of some f2c-converted code
that was being kept in an inconsistent location (outside the 'ext' directory)
and caused linking issues with some combination of build options.
 2012-08-12 22:59:44 +00:00
Ray Speth
ee3e48b024 Fixed issues linking to libgfortran on OS X 2012-08-12 22:59:40 +00:00
Ray Speth
87062d115d Integration failures with CVODES now generate a more informative exception 
The exception message now lists the solution components and the corresponding
weighted error estimate which should indicate which variables are responsible
for the integration failure.
 2012-08-11 23:58:37 +00:00
Ray Speth
e168634c72 Translate exceptions into appropriate error codes in cvodes_rhs 2012-08-11 23:58:33 +00:00
Ray Speth
1becffecb0 Disallow setting negative temperature or density 2012-08-11 23:58:29 +00:00
Ray Speth
8a3bb109d6 [Python] ReactorNet.step now translates exceptions appropriately 2012-08-11 23:58:23 +00:00
Ray Speth
c092bbaede Fixed the order of include and library directories when compiling 
Include directories in the Cantera source tree should be listed first so that
they take precedence over headers from other installed copies of Cantera that
might end up on the include search path. This was potentially a problem when
Cantera was installed in the same location (e.g. /usr/local) as one of its
dependencies (e.g. Sundials).

The same logic applies to directories on the library link path.
 2012-08-10 21:03:06 +00:00
Ray Speth
51a3decaa1 Moved some classes out of the global namespace into namespace Cantera 2012-08-08 22:18:15 +00:00
Ray Speth
3e71897a9c Use actual enums for the pure fluid constants 2012-08-08 22:17:57 +00:00
Ray Speth
b7ee30aa04 Simplified error handling in pure fluid (tpx) calculations 
TPX_Error is now derived from CanteraError, and errors in the tpx calculations
propagate automatically without requiring explicit checks for an error
condition.
 2012-08-08 22:17:48 +00:00
Ray Speth
6663ec05c2 Simplified PureFluidPhase::report 2012-08-08 22:17:43 +00:00
Ray Speth
3fae5d93f7 Refactored ThermoPhase::reportCSV 
The reportCSV method is responsible for formatting and writing the data provided
by the getCsvReportData method. Derived classes need only override the latter
method to customize their reports.

Also, the data which was not in a CSV format has been removed from the output so
the name of the method is no longer misleading.
 2012-08-08 22:17:33 +00:00
Ray Speth
858f355054 Removed some obsolete code for handling deprecated functions 2012-08-08 22:17:28 +00:00
Ray Speth
24d7a3e091 Removed some unused exception classes 2012-08-08 22:17:22 +00:00
Ray Speth
119cf8f5f4 VCS solver now uses normal CanteraError exceptions 2012-08-08 22:17:15 +00:00
Ray Speth
cde96e5191 Folded InterfaceKineticsData into InterfaceKinetics 2012-08-08 22:17:10 +00:00
Ray Speth
346605abc4 Removed some unused CTML functions 2012-08-08 22:17:05 +00:00
Ray Speth
10aea02835 Removed constructPhaseFile and constructPhaseXML methods from WaterSSTP 2012-08-08 22:16:55 +00:00
Ray Speth
ef9a87e97f Removed constructPhaseFile and constructPhaseXML methods from RedlichKisterVPSSTP 2012-08-08 22:16:50 +00:00
Ray Speth
3a806b18a1 Removed constructPhaseFile and constructPhaseXML methods from PhaseCombo_Interaction 2012-08-08 22:16:46 +00:00
Ray Speth
f718caef91 Removed constructPhaseFile and constructPhaseXML methods from MolarityIonicVPSSTP 2012-08-08 22:16:42 +00:00
Ray Speth
07dfe48a68 Removed constructPhaseFile and constructPhaseXML methods from MixedSolventElectrolyte 2012-08-08 22:16:38 +00:00
Ray Speth
577f3c28f7 Removed constructPhaseFile and constructPhaseXML methods from MargulesVPSSTP 2012-08-08 22:16:33 +00:00
Ray Speth
a777ef2480 Removed constructPhaseFile and constructPhaseXML methods from IdealSolidSolnPhase 2012-08-08 22:16:29 +00:00
Ray Speth
3f488b2841 Removed constructPhaseFile and constructPhaseXML methods from LatticePhase 2012-08-08 22:16:25 +00:00
Ray Speth
a2ccce6b72 Removed constructPhaseFile and constructPhaseXML methods from DebyeHuckel 2012-08-08 22:16:21 +00:00
Ray Speth
b860262fae Removed constructPhaseFile and constructPhaseXML methods from IonsFromNeutralVPSSTP 2012-08-08 22:16:16 +00:00
Ray Speth
ff5ca0ea1a Removed constructPhaseFile and constructPhaseXML methods from IdealMolalSoln 2012-08-08 22:16:11 +00:00
Ray Speth
fa22d8fde1 Removed constructPhaseFile and constructPhaseXML methods from HMWSoln 2012-08-08 22:16:04 +00:00
Ray Speth
deea83d68b Merge bug fixes from the 2.0 maintenance branch 2012-08-02 16:07:35 +00:00
Ray Speth
6a78bea039 Added copyString as a consistent interface for copying std::string to char* 2012-08-02 15:48:27 +00:00
Ray Speth
f2a1aa219b Some cleanup of clib 
Removing unnecessary explicit char* to string conversions
 2012-08-02 15:48:16 +00:00
Ray Speth
38fbe6781e Simplified some casting operations in clib 2012-08-02 15:48:09 +00:00
Ray Speth
cd706b355f Made casting operations in ctreactor safer 2012-08-02 15:48:03 +00:00