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Author SHA1 Message Date
Harry Moffat
28bf38b934 Added the clockWC class to the doxygen docs. 2007-06-11 15:22:26 +00:00
Harry Moffat
3543dd577a Added the clockWC.h include to the c++ interface. 2007-06-11 15:20:58 +00:00
Harry Moffat
1226773520 Wall Clock Timer: 
Added class that implements a simple wall clock timer
 2007-06-11 15:20:03 +00:00
Harry Moffat
5698fc7752 Doxygen update 
-> eliminated some doxygen warnings.
 2007-06-08 15:13:04 +00:00
Harry Moffat
f4bb23178c doxygen update- 
This contains changes to comments, to reduce number of dox warnings.
 2007-06-08 15:01:53 +00:00
Harry Moffat
d36aa23362 Filled the copy constructors, assignment operators, and duplication 
functions for the remaining ThermoPhase objects.
 2007-06-05 15:17:14 +00:00
Harry Moffat
91e463cf74 Made getReagents global and addPhase virtual. 2007-06-04 23:09:19 +00:00
Harry Moffat
8c53a5a1b9 Changed the destructor to be virtual. 2007-06-04 23:05:07 +00:00
Harry Moffat
30e41a0354 Added a routine to return the elctrochemical beta for a reaction. 
Fixed an error in a debug printout routine that tests when
the BV factor may overwhelm the activation energy, and I moved
the printout to DEBUG_MODE.
 2007-06-04 23:02:48 +00:00
Harry Moffat
810c6ee6d2 Added a test directory. 2007-06-04 18:42:37 +00:00
Harry Moffat
084ac7aa53 Added a test problem for the duplication of common ThermoPhase 
objects like IdealGasPhase and SurfPhase.
 2007-06-04 18:41:15 +00:00
Harry Moffat
410dd699da Copy constructors, assignment operators, and duplicators: 
Extended these to the more common ThermoPhase objects.
 2007-06-04 18:39:07 +00:00
Harry Moffat
6a85d86b78 Rebaselined the problem. There were minor changes in the 
solution. Moved the test to a csv comparison which can
differentiate between large and small differences.
 2007-06-02 01:07:51 +00:00
Harry Moffat
a5cb5b7f8a Added another test problem that checks the duplMyselfAsThermoPhase 
capability.
 2007-06-02 00:14:24 +00:00
Harry Moffat
2b5befcf6b Wrote a valid copy constructor and assignment operator for 
XML_Node, and made them public.

It turns out the Cabinet.h routines needed these. Previously, they
were using the compiler default routines, which was a bug.
Now, they are using explicit routines. Note, these new routines
have not been checked. However, they do have the chance of being
correct.
 2007-06-02 00:02:19 +00:00
Harry Moffat
16c8a59ca5 Bugfix checkin to get the duplMyselfAsThermoPhase() routines working. 
Bugs include quite a few errors in the copy constructors and
assignment operator functions, which, for most of them, have been
checked against a sample problem, HMW_dupl_test, for the very first time.

Note, the duplMyselfAsThermoPhase() routines are now working.
 2007-06-01 23:44:24 +00:00
Harry Moffat
92c76dd5af Changed the copy() and copyUnion() functions to be const. 
Declared the XML_Node copy constructor and assignment operators
to be private -> they don't work, so accidently invoking them is
an error. Now, a compilation error will occur.
Note, the copy() routine can be used instead to create copies
of XML trees.
 2007-06-01 23:36:53 +00:00
Harry Moffat
a42ef08f9c Added copy constructors and assignment operators where they were 
missing. Working towards getting the duplicate member functions
to work.
 2007-06-01 19:12:18 +00:00
Harry Moffat
9773c9b23b Changed the duplMyselfAsThermoPhase function to be a const function 
(trying to keep a unified view of what are const and non-const
functions within the ThermoPhase classes)
 2007-06-01 15:31:02 +00:00
Harry Moffat
3ea77c5187 Fixed a UMR in Reaction.h that was causing optimized versions 
of ck2cti to hang or seg fault sometimes.

Added some exceptions that captures cases where the thermo
parameters for a molecule were not found in the database.
Now, an error exit occurs, instead of before, where misc
garbage but written to the output file.
 2007-05-31 23:51:49 +00:00
Dave Goodwin
a68e8f734d correcting recently-introduced bug 2007-05-29 10:38:07 +00:00
Dave Goodwin
14aa5baee8 *** empty log message *** 2007-05-25 14:17:38 +00:00
Harry Moffat
86a6070392 Added missing partial molar functions. 2007-05-24 21:09:52 +00:00
Dave Goodwin
dafd2ad411 *** empty log message *** 2007-05-22 20:16:47 +00:00
Harry Moffat
778347d6dc Change some input files to ensure that charge and the element 
composition of E are in line with each other.
 2007-05-20 22:22:28 +00:00
Harry Moffat
705d934080 Added a Check between the input charge and the composition of 
the "E" element. At this point there doesn't seem to be
a reason to let meaning of the definition of charge() and the elemental
composition of E in each species to diverge.
 2007-05-20 22:21:07 +00:00
Dave Goodwin
39d60dd2d1 EdgeKinetics now derives from InterfaceKinetics, and InterfaceKinetics has the beta parameter for electrochemistry 2007-05-18 10:54:54 +00:00
Dave Goodwin
5b75d6bae7 EdgeKinetics now derives from InterfaceKinetics, and InterfaceKinetics has the beta parameter for electrochemistry 2007-05-18 10:54:53 +00:00
Harry Moffat
6035a7c6d1 doxygen change 
reformated some comments.
 2007-05-17 21:17:16 +00:00
Harry Moffat
803b4f1803 Took out the ReactionData.h include. The kinetics class doesn't use it. 2007-05-17 21:16:09 +00:00
Harry Moffat
c391bae703 Added several missing thermodynamics routines to SurfPhase object. 
Added error checking to make sure that a ThermoPhase object has
at least one species defined in it. Currently, it just won't work
if there are 0 species in the object, so we might as well throw
an error early to indicate this.

Added error checking to the SurfPhase object to indicate when
setCoverages is called with no coverages specified. This condition had
caused NaN's. Now, it throws a CanteraError.
 2007-05-17 15:02:56 +00:00
Harry Moffat
9f895f47ab Added a dir. 
Added more predefines.
 2007-05-14 14:37:37 +00:00
Harry Moffat
4b406f06bf Doxygen updates -> worked on documenting functions 
Changed a few functions from private to protected so that
they would be available to derived classes
 2007-05-14 01:02:57 +00:00
Harry Moffat
4084343fcf Doxygen update -> Eliminating warning messages. 2007-05-14 01:00:27 +00:00
Dave Goodwin
36d53fdb42 *** empty log message *** 2007-05-12 17:16:15 +00:00
Dave Goodwin
7183da1ad4 *** empty log message *** 2007-05-12 14:49:12 +00:00
Dave Goodwin
a5ddeea733 support for cmake 2007-05-12 14:42:15 +00:00
Dave Goodwin
7f570c79ca bug fixes 2007-05-12 12:55:25 +00:00
Harry Moffat
6e64d22031 Doxygen update of some kinetics classes. Have a ways to go 
before these are documented.
 2007-05-11 23:11:11 +00:00
Harry Moffat
4178af28fe Added doxygen documentation. still needs work to get all the 
new stuff covered.
 2007-05-11 21:44:05 +00:00
Dave Goodwin
95d150071d bug fixes 2007-05-11 20:58:19 +00:00
Harry Moffat
240e0fc78e Added PREDEFINES. Apparently, the current config.h setup doesn't get 
passed through doxygen's predefines. Therefore, modules aren't being
read into the doxygen documentation. The solution is to
artificially define PREDEFINES, so that doxygen can operate
correctly.
 2007-05-11 19:56:03 +00:00
Harry Moffat
a21d3715cc Took out config.h include. Doxygen preprocessing is at fault, 
and it can be fixed through the doxygen input file.
 2007-05-11 19:54:18 +00:00
Dave Goodwin
b571729262 bug fixes 2007-05-11 19:29:35 +00:00
Harry Moffat
8161cebeec Added an IntEnergy calculation routine. 2007-05-11 17:40:16 +00:00
Harry Moffat
e3a04abeea Added a namespace declaration to Assert commands, that's needed 
in applications.
 2007-05-11 17:37:40 +00:00
Harry Moffat
aa7bf0421b Fixed a bug in the calculation of reference state values, for 
thermophase objects that derive from VPStandardStateTP
 2007-05-11 17:34:44 +00:00
Harry Moffat
77bb1baa7e Took out bad documentation statements. 2007-05-11 17:31:33 +00:00
Harry Moffat
8f2124fa5d Added a :chargeNeutralityNecessary() function and boolean. 
If charge neutrality is necessary for the proper specification
of thermo functions, this is true. If not it's set to false.
Currently, it's true for molality based formulations, and false
otherwise. It's false for Ideal gases.
 2007-05-11 17:30:31 +00:00
Harry Moffat
ea97be3421 Added a specific include config.h command, because doxygen wasn't 
recognizing it.
 2007-05-11 17:21:33 +00:00