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1613 commits

Author SHA1 Message Date
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
Ray Speth
8c1ec6a5f5 Made casting operations in ctonedim safer 2012-08-02 15:47:56 +00:00
Ray Speth
88bb6fe679 Removed obsolete C++ Chemkin mechanism converter 2012-07-26 20:49:50 +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
0ff0dad483 Removed obsolete HAS_SSTREAM option 2012-07-23 22:33:41 +00:00
Ray Speth
3eb72725d9 Replaced a couple of unnecessary local functions in refine.cpp 2012-07-20 18:27:04 +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
Nicholas Malaya
77bb5e15ce removing several deprecated header files from the makefile.ams. In addition, headers should now be properly installed by the make install step 2012-07-18 22:54:54 +00:00
Ray Speth
3ce3da1fa2 Fixed code formatting 2012-07-18 18:32:29 +00:00
Ray Speth
e77990ab24 Fixed indexing errors in Phase::addUniqueSpecies 
Also simplified to eliminate unnecessary iterator usage and fixed a comment that
indicated exactly the opposite of what the function actually does.
 2012-07-18 18:32:17 +00:00
Nicholas Malaya
14dc965e99 fixing base directory header install path 2012-07-18 17:10:53 +00:00
Nicholas Malaya
f9f6a93c39 removing a cout that was not necessary 2012-07-17 22:09:57 +00:00
Nicholas Malaya
d9381b55da merging into cantera 2.0 the pecos autotools trunk 2012-07-17 21:12:16 +00:00
Ray Speth
b5b536ff83 Removed some deprecated code 2012-07-16 22:19:10 +00:00
Ray Speth
8611f43eb0 Removed deprecated 'GasTransportData' struct 
Simplified implementation of TransportFactory::getTransportData,
and removed data members of MixTransport and MultiTransport that
were only used to fill in the GasTransportData structure.
 2012-07-16 22:18:58 +00:00
Ray Speth
cfe5824a7d Removed some deprecated code 2012-07-16 22:18:35 +00:00
Ray Speth
8b6c9a0bf7 Removed some deprecated functions 2012-07-16 22:18:11 +00:00
Ray Speth
7194bf96d4 Fixed calculation of some multicomponent transport properties 
For some properties, the internal temperature-dependent properties
were being updated in the wrong order.
 2012-07-10 16:23:32 +00:00
Ray Speth
f04ac23be9 Fixed a memory leak when re-initializing a CVodesIntegrator 2012-06-27 16:12:45 +00:00