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636 commits

Author SHA1 Message Date
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
3df93b8f4c Removed some dead code 2012-10-24 15:45:08 +00:00
Ray Speth
f4d35e4bd7 Always pass "const std::string&" instead of "const std::string" 2012-10-24 15:44:54 +00:00
Ray Speth
1d19803885 Pass "const std::string&" instead of "std::string" when possible 2012-10-24 15:42:51 +00:00
Ray Speth
d2ac071660 Fixed a few missing #includes 2012-10-24 15:42:29 +00:00
Ray Speth
e9026fb683 Removed the broken/unused PID_Controller class 2012-10-12 20:34:56 +00:00
Ray Speth
3f17786c01 Removed some commented-out includes 2012-10-12 20:34:48 +00:00
Ray Speth
c404c31879 Eliminated unnecessary string copying in Reactor / ReactorNet 2012-10-12 20:34:41 +00:00
Ray Speth
11a11bea79 Removing deprecated / nonfunctional methods from Reactor 
These functions / variables are for driving the time integration, which is
handled entirely by ReactorNet.
 2012-10-12 20:34:33 +00:00
Ray Speth
5252c41a80 [Cython] Full implementation of zero-dimensional reactor networks 2012-10-10 18:25:20 +00:00
Ray Speth
dec608b811 Fixed ReactorNet::setInitialTime to actually set the initial integrator time 
Removed the optional argument to ReactorNet::initialize so that setInitialTime
is the only interface for setting the integrator start time, and made initialize
protected to make it clear that it does not need to be explicitly called by the
user.
 2012-10-10 18:25:12 +00:00
Ray Speth
5f2ec1f11d Added ability to switch between transport models in the Cython module 2012-09-06 19:59:45 +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
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