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768 commits

Author SHA1 Message Date
Ray Speth
e8292d387e Fix definition of elemental mole fraction 
The elemental mole fractions should be invariant under composition changes which
conserve atoms.
 2015-07-16 10:41:39 -04:00
Ray Speth
97b32069cf Remove leftover "fenv" cruft 2015-07-15 12:46:48 -04:00
Ray Speth
f1f10b6526 Remove unused, deprecated code marked for removal after Cantera 2.2 2015-07-15 12:08:50 -04:00
Ray Speth
d4299fc6da [Test] Fix VCS-LiSi test to not use deprecated "testProb" constructor 2015-07-15 11:35:22 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
d44f46aab8 [Reactor] Add bounds check on sensitivity parameter index 2015-07-07 21:00:16 -04:00
Ray Speth
d373e0751e Remove unnecessary explicit specification of namespace Cantera 2015-06-24 14:45:55 -04:00
Ray Speth
079ef0caf9 Update comments regarding critical / saturation properties 2015-06-24 13:26:47 -04:00
Ray Speth
0590b2cda8 [Reactor] Deprecate possibly-ambiguous names in componentIndex 
Resolves #274.
 2015-06-22 18:12:05 -04:00
Ray Speth
4efad93a6d [Kinetics] Fix handling of integral, explicit reaction orders 
If any of the reaction orders differ from the corresponding stoichiometric
coefficients, the reaction needs to be handled as the general case, instead of
just when the orders are non-integral.
 2015-06-22 11:56:56 -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
c0fa589b8c [Reactor] Fix segfaults in updateMassFlowRate due to unset parameters 
The downstream and upstream Reactors, the "master" flow controller, and the
coefficient arrays were being read without checking that they had been
initialized.

Fixes #278.
 2015-06-18 12:18:59 -04:00
Bryan W. Weber
ca6e228e22 Move setPressure to a more logical location 2015-06-15 17:47:37 -04:00
Bryan W. Weber
8e58a45edb Overload setState_RP for IdealGasPhase 
Use the ideal gas law to compute the temperature corresponding to the
given density and pressure.
 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
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
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
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
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
8845e789ba [1D] Deprecate non-functional fix/solve species options 2015-05-27 17:17:08 -04:00
Ray Speth
57e73dcb74 [Doc] Fix some Doxygen warnings 2015-05-26 17:05:40 -04:00
Ray Speth
8e2e4ae60b Deprecate class RxnOrders 2015-05-26 16:58:18 -04:00
Ray Speth
1c878c16de Fix issues indicated by compiler warnings 2015-05-26 11:42:20 -04:00
Ray Speth
6a094c658f [Doc] Update description of CTI and CTML formats 2015-05-25 21:08:49 -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
2610af703f Remove declared but undefined function 'vcs_second' 2015-05-24 18:23:24 -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
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
cb88a2b1e0 Remove declarations for undefined methods from InterfaceKinetics 2015-05-07 23:09:01 -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
26c0c3f587 [Doc] Update docs for GasTransportData 2015-05-05 11:44:34 -04:00
Ray Speth
18e2ab7c8d [Python/Doc] Document Reaction and derived classes 2015-05-05 11:34:07 -04:00
Ray Speth
4022e408af [Doc] Document interface reaction coverage dependencies 
Specifically, that the activation energy term is given in temperature
units.
 2015-05-05 11:00:25 -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
f4715c671f [Python] Add method for setting Chebyshev rate coefficient parameters 2015-05-02 20:07:36 -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
6648b9ec34 [Kinetics] Falloff initialization checks for correct number of parameters 2015-04-29 22:12:00 -04:00