Fixed a error introduced by Speth that caused the  brine phase pop problems to fail.


git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2982 02a645c2-efd0-11dd-984d-ab748d24aa7e
Added a missing function


git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2983 02a645c2-efd0-11dd-984d-ab748d24aa7e
Changes in InterfaceKinetics to allow for downstream hooks to add in the capability to model
arbitrarily fit open circuit potentials for intercalating electrodes.


git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2984 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] ReactorNet::addReactor takes a reference instead of a pointer

This reflects how the function is usually used. The old signature is now
deprecated, as is the extra argument for transfering "ownership" to the
ReactorNet object.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2985 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Add IdealGas reactor types to zerodim.h

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2986 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor/Samples] Cleanup of kinetics1.cpp

Change this example to use IdealGasConstPressure reactor, which
is the preferred reactor model for this kind of simulation.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2987 02a645c2-efd0-11dd-984d-ab748d24aa7e
Throw exceptions instead of calling std::exit after an error

By throwing an exception, Cantera is better behaved when used within other
applications, e.g. as in the case of the Matlab and Python interfaces.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2988 02a645c2-efd0-11dd-984d-ab748d24aa7e
[CTI] Allow non-integer atomicity

This allows specification of lumped species with average compositions,
such as C10.6H21.8.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2989 02a645c2-efd0-11dd-984d-ab748d24aa7e
[ck2cti] Import the resulting mechanism to complete validation

This relaxes the need to perform redundant validation in ck2cti.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2990 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Test] Use context handler form for 'assertRaises'

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2991 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Test] Fix some incorrect assertions

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2992 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Test] Use 'assertIn' and 'assertNotIn' where possible

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2993 02a645c2-efd0-11dd-984d-ab748d24aa7e
Remove redundant 'NotImplemented' exception class

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2994 02a645c2-efd0-11dd-984d-ab748d24aa7e
Remove unused Doxygen input files

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2995 02a645c2-efd0-11dd-984d-ab748d24aa7e
Remove orphaned 'Cantera_legacy.h' file

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2996 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Refactor wall / surface chemistry evaluation

This creates a single implementation of the calculation of the contributions of
walls and surface chemistry to the governing equations for all reactor types.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2997 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Refactor re-implementations of Reactor::initialize

The base class methods does almost all the initialization needed for the derived
classes, so call that first and then do any additional steps needed.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2998 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Refactor updateState and getInitialConditions implementations

Extract common parts related to surface species

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@2999 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Implement reactor network reinitialization

Adds ReactorNet::reinitialize, which skips all one-time initialization and
re-uses the same CVODES integrator. The Reactor::syncState() method is
introduced for applying new initial conditions for individual Reactor objects.

This approach increases efficiency when solving many similar problems with short
integration times, for example when being used as the chemistry term integrator
in an operator-split CFD code.

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@3000 02a645c2-efd0-11dd-984d-ab748d24aa7e
[Reactor] Remove unneeded functions from ReactorBase

git-svn-id: https://cantera.googlecode.com/svn/cantera/trunk@3001 02a645c2-efd0-11dd-984d-ab748d24aa7e