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Author SHA1 Message Date
Ray Speth
08e9d94ad6 [Thermo] Remove unimplemented overrides of getParameters/setParameters 2014-05-21 16:34:39 +00:00
Harry Moffat
675df76b1c Fixed a long standing problem with the combination of storred XML files and duplicator functions. 
Now the complete XML file is storred within the ThermPhase object starting with the root node.
This is needed for later processing of kinetics and transport mechanisms when the ThermoPhase
file is duplicated and the original file is deleted.

xml() is now a const function, and still returns the same pointer.
setXMLdata() is a new function will stores the xml data.
 2014-05-20 19:02:20 +00:00
Harry Moffat
b6f9009d28 Fixed a bad bug in deepStdVectorPointerCopy 2014-05-20 16:16:07 +00:00
Ray Speth
75e9d10bdf [SCons] Print path to Python interpreter when building 2014-05-08 23:02:07 +00:00
Ray Speth
f61747973c [Thermo] Extract common implementations out of PDSS descendants 
The descendants either calculate molar properties from nondimensonal properties
or vice versa. Add two derived classes to PDSS to implement these behaviors, and
have the leaf classes derive from whichever one of these makes sense.
 2014-05-08 23:01:59 +00:00
Ray Speth
0eeae5d9c0 [Thermo] Remove unnecessary manual memory management from PDSS_Water 2014-05-08 23:01:53 +00:00
Ray Speth
edaef6a0b7 [Thermo] Remove redundant methods of PDSS descendants 
The removed methods repeated the implementation of the base class.
 2014-05-08 23:01:43 +00:00
Ray Speth
7fff65cecd Remove previously-deprecated 'PrintCtrl' and 'LogPrintCtrl' classes. 2014-05-08 23:01:32 +00:00
Ray Speth
54ded64e4b Miscellaneous whitespace cleanup 2014-05-08 23:01:12 +00:00
Ray Speth
2df0396879 [ck2cti] Relax formatting requirement for Chebyshev coefficients. 
Allow coefficient data to begin on the same line as the declaration of the
order of the polynomial in each dimension.

Fixes Issue 219.
 2014-05-07 21:57:34 +00:00
Ray Speth
d6a3ea4aa7 [ck2cti] Allow stoichiometric coefficients ending in decimal points 
Fixes Issue 220.
 2014-05-07 21:57:22 +00:00
Ray Speth
c621d5f9db [SCons] Fix dependency resolution for some Python files 2014-05-07 21:56:57 +00:00
Ray Speth
9cddf5aaed Add test to check that error messages from ctml_writer are propagated 2014-05-06 14:39:54 +00:00
Ray Speth
bc0346eae7 Avoid deadlocks in cti to ctml conversions on Windows 2014-05-06 14:39:48 +00:00
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