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Author SHA1 Message Date
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
85571ab7c8 Removed unused functions from Rate1 and removed the unused Rate2 class 2012-08-29 22:13:49 +00:00
Ray Speth
6e63ad9c91 Removed unnecessary iterators from RateCoeffMgr 2012-08-29 22:13:45 +00:00
Ray Speth
a549782c7f Eliminated some unnecessary usage of strcpy 2012-08-17 16:44:50 +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
01a9bdcf58 Fixed handling of explicit reaction orders for some reactions 
For reactions with unity reactant stoichiometric coefficients, explicit values
for the forward reaction order were being ignored while setting up the
StoichManager.

Added a few tests that confirm that these rates are being calculated correctly.
 2012-08-17 16:43:13 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
16462628a7 Error message printed by Plog::validate now indicates the problematic reaction 2012-08-15 15:14:02 +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
1becffecb0 Disallow setting negative temperature or density 2012-08-11 23:58:29 +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
fc05538d0a Removed old copy of Cantera.h that snuck back in 2012-08-08 22:18:04 +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
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
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
7442ecd88b Removed unimplemented constructPhaseFile and constructPhaseXML methods from MineralEQ3 2012-08-08 22:17:00 +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
0785803b20 Removed 'using namespace std' from PecosTransport.h 2012-08-02 15:49:04 +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
c57f9b644f Conversion of Chemkin mechanisms in Python and Matlab now uses ck2cti.py 2012-07-26 20:49:37 +00:00
Ray Speth
67395c8438 Added validation of Plog rate expressions 2012-07-24 23:03:28 +00:00
Ray Speth
f27aac8599 Fixed a bug where coverage dependencies were not being handled properly 2012-07-23 22:34:18 +00:00
Ray Speth
46b1a4221b Fixed a missing #include in refine.h 2012-07-23 22:33:55 +00:00
Ray Speth
0ff0dad483 Removed obsolete HAS_SSTREAM option 2012-07-23 22:33:41 +00:00
Ray Speth
d25cb04713 Removed unnecessary manual memory management from InterfaceKinetics 
Converted m_rxnPhaseIsReactant and m_rxnPhaseIsProduct from
vector<bool*> to vector<vector<bool> >.
 2012-07-20 18:26:57 +00:00
Ray Speth
d7463cc226 Removed unimplemented TST and LandauTeller kinetic rates 2012-07-20 18:26:50 +00:00
Ray Speth
3ce3da1fa2 Fixed code formatting 2012-07-18 18:32:29 +00:00
Nicholas Malaya
d9381b55da merging into cantera 2.0 the pecos autotools trunk 2012-07-17 21:12:16 +00:00
Ray Speth
477d6a59fb Removed old, duplicate version of Surf1D 
ReactingSurf1D is the replacement
 2012-07-16 22:19:30 +00:00