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458 commits

Author SHA1 Message Date
Ray Speth
f17750e483 Make species names case-preserving instead of case-sensitive 
This improves interoperability when working with mechanisms which use differing
conventions for naming species using uppercase or lowercase.
 2016-10-13 18:40:03 -04:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
11f6c2f993 Consolidate duplicate species checks in Phase::addSpecies 2016-09-10 21:45:24 -04:00
Ray Speth
85e2e9968b [Thermo] Deprecate RedlichKisterVPSSTP::Vint 2016-09-08 17:21:20 -04:00
Ray Speth
340c1bf60a Remove some unused variables 2016-09-08 17:21:20 -04:00
Ray Speth
abf71c4cb1 Allow non-positive atomic weights for custom elements 2016-08-30 20:28:35 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
ac7a9bd238 Deprecate copy constructors for eventually-noncopyable objects 
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
  - ThermoPhase
  - Kinetics
  - Transport
  - Species
  - SpeciesThermoInterpType
  - MultiSpeciesThermo
  - VPSSMgr
  - PDSS
  - ResidJacEval
  - RootFind
 2016-07-29 18:57:29 -04:00
Ray Speth
45099255de Deprecate Factory pointer argument to "newFoo" convenience functions 2016-07-07 21:36:11 -04:00
Ray Speth
3b0cf9f832 [Thermo] Make SSVolume_Model_enumType local to class PDSS_SSVol 2016-07-07 21:36:11 -04:00
Ray Speth
0f71bbcec5 [Thermo] Replace numerical constants for ThermoPhase types with strings 
Deprecate ThermoPhase::eosType and related methods
 2016-07-07 21:36:11 -04:00
Ray Speth
0de6c01384 [Thermo] Deprecate numerical constants for PDSS types 2016-07-05 23:01:14 -04:00
Ray Speth
39c234ac4b [Thermo] Deprecate numerical constants for VPSSMgr types 2016-07-05 22:49:56 -04:00
Ray Speth
f985169e93 Introduce basic registration capabilities for factories 2016-07-04 16:01:31 -04:00
Ray Speth
2c005759b7 [Thermo] Combine SpeciesThermo and GeneralSpeciesThermo 
The new class is named MultiSpeciesThermo, so that (eventually) the name
SpeciesThermo can be used for the single-species class SpeciesThermoInterpType.

Currently, trivial wrappers for classes named SpeciesThermo and
GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
 2016-06-23 17:00:15 -04:00
Ray Speth
3d6368b70a [Thermo] Deprecate unused SpeciesThermoInterpType methods 
Deprecate modifyParameters and the default constructor for all classes
derived from SpeciesThermoInterpType.
 2016-06-23 13:45:51 -04:00
Ray Speth
46684646ee [Thermo] DebyeHuckel::_nonpolarActCoeff is a static method 
Definition now corresponds to documentation
 2016-05-10 22:13:43 -04:00
Ray Speth
812290dc37 [Thermo] Deprecate ThermoPhase::installSlavePhases 
For the only class in which this is used (LatticeSolidPhase), all initialization
can be performed in the initThermo method.
 2016-05-10 20:20:35 -04:00
Ray Speth
491816f706 [Thermo] Remove overload IdealSolidSolnPhase::logStandardConc 2016-05-10 18:33:41 -04:00
Ray Speth
aa5f26bda6 [Thermo] Check dynamic_cast to PDSS_Water 
Resolves #6
 2016-05-03 15:03:52 -04:00
Ray Speth
6003af01a3 [XML] Add version of XML_Node::build that takes file name directly 2016-05-03 15:03:51 -04:00
Ray Speth
0e2ea0964b [Thermo] Add function 'resetHf298' 
Using this instead of modifyHf298 to reset the thermo data to its original
state avoids round-off errors that otherwise make modifications to the
species thermo data irreversible.
 2016-04-30 16:43:37 -04:00
Ray Speth
0f669153fb [Thermo] Remove unnecessary overrides of modifyOneHf298SS 2016-04-30 16:43:37 -04:00
Ray Speth
51b0e46277 [Thermo] ThermoPhase::modifyOneHf298SS always invalidates cached data 2016-04-18 22:20:06 -04:00
Ray Speth
6a928b57f9 Replace getValue with std::map.at where possible 
Deprecate the two-argument version of getValue, since the C++11 at method does
the same thing.
 2016-04-18 19:34:40 -04:00
Ray Speth
6e3812a828 [Thermo] Remove unnecessary temporary work vectors 2016-04-18 17:52:08 -04:00
Ray Speth
9e9ae783f8 Don't use a vector where a scalar will suffice 2016-04-18 15:36:23 -04:00
Ray Speth
336271c395 [Doc] Clean up redundant "@return returns ..." 2016-04-18 14:58:15 -04:00
Ray Speth
32b3543cbe [Thermo] Introduce Phase::compositionChanged 
This function is called after any change in composition, and can be used by
phases to update quantities that are affected by the composition change, instead
of needing to overload all of the different functions which update the
composition.
 2016-04-17 23:58:34 -04:00
Ray Speth
ac2361ee53 [Thermo] Deprecate IdealSolidSolnPhase::referenceConcentration 2016-04-17 22:49:28 -04:00
Ray Speth
56f49ef444 Miscellaneous jargon cleanup 2016-04-16 22:32:49 -04:00
Ray Speth
80fcc92129 [Thermo] Deprecated constructPhaseFile and constructPhaseXML methods 
These methods were only defined for HMWSoln and IonsFromNeturalVPSSTP, and just
do the same thing as initThermoFile and importPhase (respectively).
 2016-04-16 22:08:39 -04:00
Ray Speth
111b4909c9 [Thermo] Deprecate class SemiconductorPhase 
Can't be constructed from ThermoFactory, and constructor from file is not
implemented. Also, the getChemPotentials method uses the m_work array, which is
never initialized because the private method initLengths() is never called.

See #267
 2016-04-16 21:06:49 -04:00
Ray Speth
aa3780b094 [Thermo] Reference source of formula used in WaterPropsIAPWS::psat_est 2016-04-16 17:44:09 -04:00
Ray Speth
af19481b65 [Doc] Remove some incorrect copy/pasted docstrings 2016-04-16 17:26:49 -04:00
Ray Speth
9c4a0baa55 [Thermo] Simplify adding species for most phase types 
Where possible, extend arrays as species are added rather than requiring a
later call to initThermo(). For phases that do not require any data except
that which is included in the Species objects themselves (notably, this
includes IdealGasPhase), species can now be added dynamically without
affecting the phase state.
 2016-04-15 20:56:24 -04:00
Ray Speth
4428a62f3c [Thermo] Add ability to modify species data for existing Phase objects 2016-04-15 15:32:38 -04:00
Ray Speth
13fa0c7a4f Add invalidateCache() function to ThermoPhase and Kinetics 
This can be used to invalidate cached data after a change to underlying data
such as species thermo coefficients or reaction rate coefficients. Needs to be
user-accessible so that dependent objects can be updated manually.
 2016-04-15 15:32:38 -04:00
Ray Speth
ef441e4182 [CTML] Deprecate getFloatDefaultUnits 
This function is unnecessarily complicated and rarely needed.
 2016-04-14 19:41:44 -04:00
Ray Speth
9ed23a57ab Move non-trivial functions out of header files 2016-04-08 19:13:09 -04:00
Ray Speth
ee1b07ac6b Fix some compiler warnings regarding unused variables 2016-04-05 12:52:01 -04:00
Ray Speth
bec0c88e32 [Thermo] Remove unnecessary overloads of getElectrochemPotentials 2016-03-27 23:18:26 -04:00
Ray Speth
b99ba44f13 Fix SurfPhase::setCoveragesNoNorm to retain negative coverages 
This prevents Jacobian singularities due to (trivial) negative coverages,
e.g. in ReactingSurf1D.
 2016-03-27 17:07:36 -04:00
pwcnorthrop
125d2e0e23 Add RedlichKisterVPSSTP::s_update_dlnActCoeff_dlnX_diag() 
Fixes bug in RedlichKisterVPSSTP::getlnActCoeffdlnX_diag() which would always return 0

Resolves #293
 2016-02-17 23:34:36 -05:00
Ray Speth
b55c8fe813 Replace overly-specific exception types with CanteraError 
Deprecate exception types which are now unused.
 2016-02-04 19:34:26 -05:00
Ray Speth
f44b5fed57 Replace usage of int2str with cppformat and deprecate int2str 2016-02-04 19:11:49 -05:00
Ray Speth
f91afda8cb Replace usage of fp2str with cppformat and deprecate fp2str 2016-02-04 19:11:45 -05:00
Bryan W. Weber
02f0e273d9 Add a note about the state setters to PureFluidPhase 2016-01-25 13:14:50 -05:00
Bryan W. Weber
63cfed1503 Add functions to set property pairs specified in Sub.cpp 
Add functions to set the unimplemented property pairs specified
in the Substance::Set function of Sub.cpp
 2016-01-25 13:07:34 -05:00