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Author SHA1 Message Date
Harry Moffat
08a41f191c Added back constructPhaseFile() and constructPhaseXML(). 
All molten salt problems were broken and some brine problems were broken.
 2012-11-07 23:51:30 +00:00
Harry Moffat
6e7b14c468 Added a verbose option. 2012-11-07 23:48:55 +00:00
Harry Moffat
a0b96b6fe9 Started taking out return statements. They are only used in functions. 2012-11-07 23:44:40 +00:00
Harry Moffat
83391db4fe Added back Cantera.h 
Note in the near future, we'll require that all Cantera code include this file so that the environment may be set up correctly.
 2012-11-07 23:41:58 +00:00
Harry Moffat
23e792f1a1 Added a CANTERA_INSTALL_ROOT Makefile variable. 2012-11-07 23:30:25 +00:00
Harry Moffat
27671cf299 Added back in getNamedStringValue() definition. Somehow it had gotten erased, causing multiple problems to fail. 2012-11-07 23:29:08 +00:00
Victor Brunini
7c70568bb3 Clean up compiler warnings. 2012-11-07 21:08:56 +00:00
Ray Speth
3fec861d1f [Cython] Added tests for sensitivity analysis 2012-11-02 20:07:32 +00:00
Ray Speth
fe6b5d3c0b Changed the ordering of Reactor sensitivity coefficients 
The order now matches the order in which the corresponding sensitivity reactions
are added to the ReactorNet, regardless of the order in which Reactors and Walls
are added to the network.

Sensitivity parameter names can be accessed using the "sensitivityParameterName"
method of ReactorNet, and the "sensParamID" methods of Reactor and Wall have
been removed as they no longer meaningful.
 2012-11-02 20:07:25 +00:00
Ray Speth
b3e25ee963 Modified Reactor::updateState to get sensitivity analysis working 
Sensitivity analysis requires that the system responds appropriately to small
perturbations in the solution, a condition which is not satisfied when using the
default iterative method implemented by ThermoPhase::setState_UV. Instead, we
now use Newton's method to calculate the mixture temperature to within a small
multiple of machine precision.
 2012-11-02 20:07:21 +00:00
Ray Speth
e34ac55f4f [Cython] Added sensitivity analysis to Reactor / ReactorNet 2012-11-02 20:07:15 +00:00
Ray Speth
845b73405e Merge bug fixes from 2.0 maintenance branch 2012-10-30 15:46:10 +00:00
Ray Speth
59b34ce549 [Cython] Extract wall surface properties into a separate class 2012-10-30 15:34:35 +00:00
Ray Speth
71156434f8 Fixed handling of the SCons construction variable "FRAMEWORKS" 
This variable is only needed on OS X, but for simplicity, we expect it
to be defined (but empty) on other platforms.
 2012-10-30 15:30:33 +00:00
Ray Speth
86e7723c26 Fixed sign error in isothermalCompressibility of ideal phases 2012-10-30 15:30:27 +00:00
Ray Speth
20dbfc9b98 Modified test tolerances to fix a test failure on Windows 2012-10-25 15:05:11 +00:00
Ray Speth
8c3cd5f3c8 Removed some unnecessary compiler flags when building the Python module 
Specifically, these flags cause problems when compiling with the Enthought
Python Distribution on OS X.
 2012-10-25 15:05:03 +00:00
Ray Speth
af10c288b4 Removed some unused member variables from PDSS classes 2012-10-24 15:46:57 +00:00
Ray Speth
436f38c6a6 Removed some unused member variables from Transport classes 2012-10-24 15:46:45 +00:00
Ray Speth
120600c625 Removed some unused member variables from ThermoPhase classes 2012-10-24 15:46:31 +00:00
Ray Speth
5e34beb4a8 Fixed incorrectly defined duplication method of ConstDensityThermo 2012-10-24 15:46:22 +00:00
Ray Speth
c9ba50ecc6 Removed unimplemented method VPSSMgr_General::err 2012-10-24 15:46:15 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
3cd3bbef8f Removed some unnecessary "using namespace" directives 2012-10-24 15:45:19 +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
94f85db5c5 Eliminated some redundant code in cxx_ex transport tests 2012-10-24 15:44:42 +00:00
Ray Speth
fcb46460cc Clean up of some of the test code 2012-10-24 15:44:33 +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
a1b2f54ffb Fixed segfault in HTML logging at intermediate log levels 2012-10-24 15:42:20 +00:00
Ray Speth
771192fa9a [Cython] Fixed choosing equilibrium solver by name 2012-10-24 15:42:13 +00:00
Ray Speth
8bcda61e4c Changed type of CVodesIntegrator members to eliminate unnecessary casts 2012-10-24 15:42:05 +00:00
Ray Speth
7b76e762d2 Fixed sensitivity calculation when using CVodesIntegrator::step 
Previously, the sensitivity coefficient matrix m_yS was being updated only when
the `integrate` method was used to advance the system. Now, the sensitivities
are updated when a coefficient is requested after taking a timestep, regardless
of the method used to advance the system.
 2012-10-24 15:41:59 +00:00
Ray Speth
a6dc994439 Fixed a problem with the VCS equilibrium solver at constant HP or UP 
A sign error when limiting the temperature step caused the solver to fail if
the initial temperature was higher than sqrt(Tlow*Thigh).
 2012-10-12 20:34:59 +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
2134e5d570 [Cython] Added documentation for Reactor and related classes 2012-10-10 18:25:34 +00:00
Ray Speth
9cfd620175 [Cython] Added tests for Reactor networks 2012-10-10 18:25:30 +00:00
Ray Speth
7869bd09c3 [Cython] Fixed implementation of absolute error tolerances in unit tests 2012-10-10 18:25:26 +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
ced2e6c978 [Cython] Generalized interface to Func1 
It is now possible to use any callable Python object when the Cantera C++ core
requires an instance of Func1.
 2012-10-10 18:25:06 +00:00
Nicholas Malaya
957b5b3929 [cantera]: fixing a bug in file name variable. 2012-09-27 18:13:57 +00:00
Ray Speth
dec9c269a1 Fixed correspondence of reactor type string names to integer constants 2012-09-27 16:32:15 +00:00
Ray Speth
051a08933f Added tests for Cython Transport class 2012-09-06 20:00:05 +00:00
Ray Speth
4ff9e61e0d Added docstrings for Cython Transport class 2012-09-06 19:59:58 +00:00
Ray Speth
777d10ddb8 Fixed parsing Python configuration variables on Windows 
str.splitlines() works on all types of newline characters
 2012-09-06 19:59:54 +00:00