Commit graph

1048 commits

Author SHA1 Message Date
Ray Speth
d373e0751e Remove unnecessary explicit specification of namespace Cantera 2015-06-24 14:45:55 -04:00
Ray Speth
140da430c0 Check for non-existent species in setMass/MoleFractionsByName 2015-06-24 13:05:28 -04:00
Ray Speth
c4bb938b1b [Equil] Hide verbose output at default log level 2015-06-24 13:05:28 -04:00
Ray Speth
0590b2cda8 [Reactor] Deprecate possibly-ambiguous names in componentIndex
Resolves #274.
2015-06-22 18:12:05 -04:00
Ray Speth
6f7241b08b Remove dead code from class Application 2015-06-21 19:01:15 -04:00
Ray Speth
be24e9daf1 [Reactor] Move reactor contents check into ReactorBase::contents
The check introduced in f6f868fe28 takes place too late, as the pointer to
ReactorBase.m_thermo has already been dereferenced at this point. Most compilers
let this pass, but it is techincally incorrect.
2015-06-18 17:51:46 -04:00
Ray Speth
f6f868fe28 [Reactor] Check for Reactor contents before installing FlowDevice
Fixes #279.
2015-06-18 14:37:54 -04:00
Bryan W. Weber
60827267b7 Add MATLAB interface to the setState_RP function 2015-06-15 17:47:37 -04:00
Bryan W. Weber
5d215b7e86 Add base class functions to set density and pressure simultaneously
They have the names setState_RP, setState_RPX, and setState_RPY. These
base class functions mirror the TP, TPX, TPY set, except that RP is not
implemented, because it depends on the EOS of the system. We cannot use
the normal setPressure because it sets the state by calculating the
density, but RP will specify the density.
2015-06-15 17:46:51 -04:00
Ray Speth
484eff996b Use short form of cantera_version when looking for data directory 2015-06-14 19:51:00 -04:00
Ray Speth
7f847c3877 [SCons] Miscellaneous cleanup of SConstruct/SConscript files 2015-06-13 23:29:58 -04:00
Ray Speth
31d04f04b0 [Thermo] Remove unnecessary copy constructors & assignment operators
These just did the same thing as the compiler-generated ones, so there's
no reason for these to exist.
2015-06-13 22:41:37 -04:00
Ray Speth
8d4e9bff6e [Reactor] Make argument to ReactorNet.step optional and deprecated
The value of this argument has almost no effect on the integrator, and
frequently confuses users since the ReactorNet can end up at a time either
greater or less than the specified time. By removing this argument, the
distinction betwen step() and advance(t) becomes much more clear.
2015-06-11 14:03:20 -04:00
Ray Speth
392b0f5692 [Reactor] Do not use argument to step/advance to set the max time step
Allow CVODES to take arbitrarily large timesteps by default. If a maximum time
step is desired, it can be set explicitly.
2015-06-11 14:03:20 -04:00
Steven DeCaluwe
7426fca71a Adding RedlichKwongMFTP::cv_mole 2015-06-09 13:01:57 -06:00
Ray Speth
217d780233 Fix calls to CanteraError with blank or incorrect first argument
The first argument should be the function name from which the exception was
thrown. Leaving this blank makes it difficult to track down the location of the
exception.
2015-06-09 12:03:57 -04:00
Ray Speth
8dcde36d20 Fix invalid iterator usage in Application::close_XML_File
The iterator 'b' is invalidated by calling erase(b), which means that the
subsequent call to ++b results in undefined behavior. This was identified by
segfaults in the Matlab unit test on OS X.
2015-06-08 17:20:54 -04:00
Ray Speth
911c2f180d Remove unused, redundant 'g_DEBUG_MODE' variable
This is exactly the same as the DEBUG_MODE_ENABLED macro
2015-05-29 16:29:57 -04:00
Ray Speth
78f60e2d5f [Thermo] Improve error message generated by Substance::set_xy 2015-05-29 12:45:17 -04:00
Ray Speth
808f088ffd Merge namespace VCSnonideal with namespace Cantera 2015-05-27 18:27:25 -04:00
Ray Speth
5214672ab3 Merge namespace ctml with namespace Cantera 2015-05-27 18:09:07 -04:00
Ray Speth
1c878c16de Fix issues indicated by compiler warnings 2015-05-26 11:42:20 -04:00
Ray Speth
341b137766 [Doc] Capitalize proper nouns and acronyms 2015-05-25 20:58:44 -04:00
Ray Speth
51c8d7365a [Doc] Fix spelling errors 2015-05-25 20:57:19 -04:00
Ray Speth
aa2b732954 Fix directories searched for input files on Windows
Update to use the registry key for Cantera 2.2. The 'templates'
subdirectory no longer exists.

Fix documentation to not incorrectly claim that COMMONPROGRAMFILES
will be searched for input files.
2015-05-24 18:23:24 -04:00
Ray Speth
b84c1e5685 Remove unused fields of ElectroChemicalReaction 2015-05-24 18:23:23 -04:00
Ray Speth
eb74329d1b Deprecate some unused/unfinished classes 2015-05-24 18:23:22 -04:00
Ray Speth
b5b1e89814 [Kinetics] Move 'rmcVector' down to ElectrodeKinetics 2015-05-23 22:42:44 -04:00
Ray Speth
813cc36f8e Fix undefined variables in ElectrodeKinetics with DEBUG_MODE enabled 2015-05-23 22:33:21 -04:00
Ray Speth
ba9c9c768f [Kinetics] Use the name 'ThreeBodyReaction' consistently 2015-05-11 16:35:46 -04:00
Ray Speth
9e9f03288a [Kinetics] Implement modifyReaction for InterfaceKinetics 2015-05-08 11:07:41 -04:00
Ray Speth
35e5e93c6e [Kinetics] Implement modifyReaction for AqueousKinetics 2015-05-08 11:07:11 -04:00
Ray Speth
62cd325036 [Kinetics] Implement modifyReaction for gas-phase reactions 2015-05-07 18:31:40 -04:00
Ray Speth
092937fd06 [Kinetics] Fix handling of undeclared third bodies in Falloff reactions 2015-05-06 21:14:59 -04:00
Ray Speth
14b2e8f5cf [Kinetics] Fix 'skip_undeclared_species' behavior 2015-05-06 21:14:58 -04:00
Ray Speth
fd659c09ea [1D] Fix saving multiple flame profiles to a single XML file
Broken by the change in b0e5b13913. Modify the save_restore test
to cover this case.
2015-05-02 21:24:51 -04:00
Ray Speth
decf251a8b Improve error messages generated by XML_NoChild and XML_TagMismatch 2015-05-02 20:07:46 -04:00
Ray Speth
0562f18100 [Reactor] Wall coverages may be set using a compositionMap or string 2015-05-02 20:07:45 -04:00
Ray Speth
522c563810 [Thermo] Surface coverages can be set using a compositionMap 2015-05-02 20:07:44 -04:00
Ray Speth
7a21855574 [Kinetics] Switch parameter order in ChebyshevRate constructor
The usual order of arguments is temperature then pressure.
2015-04-30 22:34:25 -04:00
Ray Speth
2fff28f37c [Kinetics] Fix Plog::rates to suppress all artificial rates 2015-04-30 19:24:16 -04:00
Ray Speth
6648b9ec34 [Kinetics] Falloff initialization checks for correct number of parameters 2015-04-29 22:12:00 -04:00
Ray Speth
23642ded3c [Kinetics] Use current site density sticking reaction rate coefficient
The conversion of sticking coefficients to Arrhenius expressions includes the
site density on the surface phase, which may not be set when the reaction is
being added to the Kinetics object. We now defer the calculation of this
dependency until the rate coefficient is being evaluated so that the current
value for the site density can be used.
2015-04-29 11:55:07 -04:00
Ray Speth
bc4c71f8ee [Thermo] Ensure that site density is always positive
A site density of zero causes divide-by-zero errors in SurfPhase and
EdgePhase. This change makes it possible to initialize SurfPhase and
EdgePhase objects without XML phase descriptions.
2015-04-28 17:13:11 -04:00
Ray Speth
c994917bae [Kinetics] Add functions for creating Reaction objects from CTI/XML 2015-04-28 17:13:11 -04:00
Ray Speth
4049bb4bb2 Fix out-of-bounds memory access in CvodesIntegrator::getErrorInfo
Out-of-bounds memory was being accessed in cases where the system had fewer
state variables than the specified maximum number of error estimates to display.
2015-04-28 17:13:11 -04:00
Ray Speth
eb088793e6 [Kinetics] Fix indices used in calculating coverage-dependent rates
The coverage dependent rate calculation is passed the array of coverages,
which include only the interface species, so the species index in the
interface phase is what is needed here.
2015-04-26 11:42:21 -04:00
Ray Speth
550caaca9e [Kinetics] Fix setupInterfaceReaction to parse coverage dependencies 2015-04-26 11:41:01 -04:00
Ray Speth
a9c6eb6fda [Kinetics] Add methods for inspecting ChebyshevRate objects 2015-04-24 18:53:02 -04:00
Ray Speth
d3d303c4e9 [Kinetics] Add Plog::rates() for informational purposes 2015-04-24 16:43:37 -04:00