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Author SHA1 Message Date
Ray Speth
2a9ab96609 Use NotImplementedError instead of 'err' member functions 2014-05-06 14:39:13 +00:00
Ray Speth
27e16e5bf1 Fix signature of SingleSpeciesTP::setMassFractions and setMoleFractions 
This eliminates warnings generated by Visual Studio about the mismatch
in constness between the base and derived class functions.
 2014-05-06 14:39:05 +00:00
Ray Speth
5cb1c787ad [CTI] Allow omitting third body in Chebyshev reaction equations 2014-05-06 14:39:01 +00:00
Ray Speth
87bea8ae30 [CTI] Relax formatting requirements for third bodies in reaction strings 
Allow 'A + B (+M)' in addition to 'A + B (+ M)'
 2014-05-06 14:38:50 +00:00
Ray Speth
8cfac61a83 Use configuration checks to determine names for 'isnan' and 'finite' 2014-05-03 17:39:33 +00:00
Ray Speth
0a1909e682 [SCons] Print config.log when SCons is in verbose mode 2014-05-03 17:39:19 +00:00
Ray Speth
9ff22eebc5 [Doc] Update version specified in git/svn checkout commands 2014-04-28 18:18:17 +00:00
Ray Speth
3944dda878 Fix path to Cantera.mak in sample Fortran Makefiles 
Use relative path if the Cantera install directory contains spaces, as the
Makefile 'include' statement doesn't seem to have a way to escape the space
otherwise.
 2014-04-28 18:18:10 +00:00
Ray Speth
4e68860165 Generate cantera.pc and Cantera.mak when using MinGW 2014-04-28 18:17:46 +00:00
Steven DeCaluwe
710393308d Editing Pitzer's acentric factor initialization 2014-04-25 11:49:34 +00:00
Steven DeCaluwe
06a88b70eb Added gas-phse kinetics to RedlichKwongMFTP class 2014-04-25 11:49:32 +00:00
John Hewson
b84f19c439 In InterfaceKinetics added some comments and clarified function names. 
Formerly getExchangeCurrentQuantities() is now
updateExchangeCurrentQuantities().  This method updates things like
m_StandardConc for computing reaction rates.

Formerly applyExchangeCurrentDensityFormulation() is now
convertExchangeCurrentDensityFormulation().  This method converts
rate expressions from A/m2 to kmol/m2/s.
 2014-04-22 22:25:59 +00:00
Harry Moffat
f1863b103a Some changes to make XML sections of liquid transport more orderly, uniform, and processed in 
only one place.
 2014-04-20 02:12:35 +00:00
Harry Moffat
3df834565b Added more error checking for ill-formed csv files 2014-04-20 01:59:46 +00:00
Harry Moffat
7b2563c5ae Worked on comments. Took out "Pure" and substituted standard state. 2014-04-19 01:33:27 +00:00
Harry Moffat
96b01a6c79 Added better error handling for the XML routine. 
Added a couple of TODOs
 2014-04-19 01:31:21 +00:00
Harry Moffat
c16227a919 Added error handling statement 2014-04-19 01:29:36 +00:00
Harry Moffat
e977eba704 Added initializations for quantities that showed up as UMR's in cantrilbat 2014-04-19 01:20:05 +00:00
Harry Moffat
6e40841d94 Added missing member functions for partial molar quantities 2014-04-18 23:53:38 +00:00
Harry Moffat
dfbeeb374e Added additional checks for badly formed csv files. 2014-04-18 23:43:47 +00:00
Harry Moffat
446b39c877 Fixed error for two line csv files 2014-04-18 16:44:44 +00:00
Ray Speth
4e363c1073 Reduce confusion related to Fortran 90 sample Makefile 
For some compilers (gfortran), there is no space in the argument for specifying
a module directory, e.g. '-Jdir', while for others (ifort), there is,
e.g. '-module dir'. This substitutes the correct prefix directly into the
compiler command line to avoid the confusion associated with having a variable
defined with a meaningful trailing space.
 2014-04-14 18:37:54 +00:00
Ray Speth
403cbc74fc Remove outdated 'mixmaster' script 
This script was for the legacy Python module only.
 2014-04-14 18:37:49 +00:00
Ray Speth
115679ac17 [Doc] Add note about how to fix Sundials CMakeLists.txt 
The Sundials CMakeLists.txt was not correctly updated for the 2.5.0 release, and
builds a version of Sundials that still claims to be 2.4.0. This leads to
compilation errors since some Sundials functions have changed signatures between
2.4 and 2.5, and Canteran needs to distinguish between the two.
 2014-04-14 18:37:43 +00:00
Ray Speth
b4b97e622a [Thermo] Remove manual memory management from ShomatePoly2 2014-04-14 18:37:36 +00:00
Ray Speth
1df2ed5611 Add a missing #include 2014-04-14 18:37:24 +00:00
Ray Speth
79bbdf3aff [Thermo] Make use of initializers in SpeciesThermoInterpType classes 2014-04-14 18:37:12 +00:00
Ray Speth
588728addc [Equil] Make vcs_MultiPhaseEquil::m_vprob a normal member variable 2014-04-14 18:37:06 +00:00
Ray Speth
818a22be05 [Equil] Make vcs_MultiPhaseEquil::m_vsolvePtr a normal member variable 
There is no reason for this to be a pointer.
 2014-04-14 18:36:58 +00:00
Ray Speth
197a70aab2 Fix to coverage data collection 
Skip all the test_problem subdirectories to avoid generating a command line that
is too long for some versions of lcov to handle properly.
 2014-04-14 18:36:50 +00:00
Ray Speth
fcf7edf694 Implement Sub::name and Sub::formula in the base class 
Eliminates the need for redundant implementations in all the derived
classes. Also, make the return value a "const char*" to eliminate the dangerous
cast.
 2014-04-14 18:36:32 +00:00
Ray Speth
f8ff70ed38 [ck2cti] Make 'PCHEB' and 'TCHEB' keywords case insensitive 
Fixes Issue 213.
 2014-04-08 19:39:16 +00:00
Ray Speth
c887c1b6fb Remove unnecessary calls to parseCompString 2014-04-08 19:39:06 +00:00
Ray Speth
53820ed4a3 [Test] Remove remnants of the old Python test suite 2014-04-08 16:27:19 +00:00
Ray Speth
8e91a34b82 [Test] Fix reported number of passed tests 
The file used to identify the results of the individual Python 3 tests was being
truncated. Updating it incrementally seems to avoid the problem.
 2014-04-08 16:27:06 +00:00
Ray Speth
f8ee065368 [Test] Fix test status report if Python test crashes 2014-04-08 16:27:01 +00:00
Ray Speth
051381d862 [Python] Allow setting composition of sliced Solution objects 
The following syntax:

    >>> phase['H2','O2'].X = [1.0, 0.5]

Is equivalent to:

    >>> phase.X = 'H2:1.0, O2:0.5'
 2014-04-08 16:26:47 +00:00
Ray Speth
d19f975940 [Python] Allow setting composition using a dict 
The following syntax makes it easier to set the composition programmatically,
e.g. inside a for loop:

    phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
 2014-04-08 16:26:34 +00:00
Ray Speth
6449415933 [Thermo] Simplify setState specialization of SingleSpeciesTP 
We don't need to override every function that sets the mass/mole fractions, just
the ones that would have actually done something.
 2014-04-08 16:26:29 +00:00
Ray Speth
14ea7e64c6 [Thermo] make compositonMap a const argument 2014-04-08 16:26:20 +00:00
Ray Speth
d2ff7dbaaa [SCons] 'clean' removes auto-generated .rst files from examples 2014-04-08 16:26:11 +00:00
Ray Speth
beeaa21644 Deprecate unused stringUtils functions 2014-04-02 15:26:42 +00:00
Ray Speth
43546f870f fpValueCheck detects (invalid) decimal ponts in exponents 2014-04-02 15:26:31 +00:00
Ray Speth
4a6dd84f81 [Thermo] Check composition strings for invalid float literals 2014-04-02 15:26:20 +00:00
Ray Speth
14fe11d661 [Thermo] Miscellaneous cleanup of ThermoFactory 2014-03-28 23:13:11 +00:00
Ray Speth
3530050dc4 [Thermo] Remove redundant overrides of ThermoPhase::eosType() 2014-03-28 23:12:53 +00:00
Ray Speth
48042fd4ae [SCons] Workaround SCons dependency bug with Cygwin 2014-03-28 23:12:45 +00:00
Ray Speth
9e4ae0d050 Deprecate unused global 'error' function 2014-03-28 23:12:36 +00:00
Ray Speth
a17085661f [Fortran] Remove unhelpful error handling in _fkin() 2014-03-28 23:12:25 +00:00
Ray Speth
4587883d5e Remove try/catch from ReactorNet::evalJacobian 
This function isn't actually called by CVODE (which uses its own difference
quotient method for calculating the Jacobian), so the note here isn't correct.
 2014-03-28 23:12:17 +00:00