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Author SHA1 Message Date
Ray Speth
ff60328ecd [Thermo] Fix IdealGasPhase constructor from XML_Node 2015-08-04 12:01:45 -04:00
Ray Speth
78412b3d72 Increase number of points used in multiprocessing example 
This helps average out some performance variability to make the effect of
multiprocessing more clear.
 2015-08-03 23:15:07 -04:00
Ray Speth
6514f7a8e1 Fix multiprocessing example when using Python 3 
In Python 3, 'map' returns an object which evalutes the function as it is
consumed, not when 'map' is called. Therefore, the correct comparison to
pool.map(...) is list(map(...)).
 2015-08-03 23:00:54 -04:00
Ray Speth
7ca9327f7d Fix multiprocessing example to actually get the indicated property 2015-08-03 22:57:03 -04:00
Ray Speth
ea1f7c015b Deprecate PDSS construction directly from XML files 
The constructors from existing XML_Nodes are the ones that are actually used.
 2015-08-03 17:16:38 -04:00
Bryan W. Weber
2334410b5b Uninstall all files properly 2015-08-02 23:06:16 -04:00
Bryan W. Weber
19f4468728 Clean up after setuptools builds 2015-08-02 23:06:16 -04:00
Bryan W. Weber
ca3a09a3d4 Add setuptools directories to python_minimal .gitignore 2015-08-02 23:06:16 -04:00
Bryan W. Weber
1174de9232 Reformat Cython setup.py.in and add metadata 
Conform to 4 space tabs. Add classifiers about Cantera. Add long
description.
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
b979cea3d2 Switch Cython and python interfaces to setuptools 
Replace distutils with setuptools in the Cython and python_minimal
interfaces. Add console_scripts option to generate OS specific scripts to run
ck2cti, mixmaster, and ctml_writer

Remove script files that are obsoleted by console_scripts from
setuptools. Remove installation of the script modules from SConstruct.

Fix Python installers so that when a prefix directory is specified on the
command line, setuptools doesn't throw an error. The setuptools documentation at
[1] prefers setting PYTHONUSERBASE rather than PYTHONPATH. Use normpath to avoid
bugs in setuptools on Windows [2].  Specify an empty "--prefix" if the compiler
is clang to fix a bug with Homebrew Python on Mac OSX [3].

[1]: https://pythonhosted.org/setuptools/easy_install.html#custom-installation-locations
[2]: http://stackoverflow.com/q/31629398
[3]: https://github.com/Homebrew/homebrew-python/issues/187
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
5f8bd40c0d Add functions to main scripts to be entry_points 
Add functions to ck2cti, ctml_writer, and a new file __main__.py to
mixmaster to be the entry_points locations that setuptools scripts
will call.
 2015-08-02 23:06:16 -04:00
Bryan W. Weber
c6ccffe44f Move imports in ck2cti to the top of the file 2015-08-02 23:06:16 -04:00
Bryan W. Weber
eb2df78260 Fix syntax error in a Python example 2015-08-02 23:06:16 -04:00
Bryan W. Weber
0b5a46fe03 Remove execute bit from files that don't need it 2015-08-02 23:06:16 -04:00
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 2015-08-02 23:06:16 -04:00
Ray Speth
ceefc5ecb0 Consistently use ThermoPhase::RT() 2015-08-02 23:06:16 -04:00
Ray Speth
9cdfd12172 Move definition of polyfit to polyfit.cpp 2015-08-02 23:06:16 -04:00
Ray Speth
acdf9cf0ed Clean up interstitial whitespace 
Remove extra space around operators, between words, etc.
 2015-08-02 23:06:16 -04:00
Ray Speth
6a04193646 Fix un-bracketed if, for, and else statements 2015-08-02 23:06:15 -04:00
Ray Speth
02f9497b20 Remove functions which just explicitly call base class functions 2015-08-02 23:06:15 -04:00
Ray Speth
801334c84e Merge nested if statements 2015-08-02 23:06:15 -04:00
Ray Speth
546eede80c Fix pointer logic errors in initThermoXML 
Affects DebyeHuckel and HMWSoln
 2015-08-02 23:06:15 -04:00
Ray Speth
f90bf978df Use += and -= where appropriate 2015-08-02 23:06:15 -04:00
Ray Speth
e4c45b6429 General whitespace cleanup 
Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
 2015-08-02 23:06:15 -04:00
Ray Speth
619cd20f14 Fix badly-formatted else/else if/catch clauses 2015-08-02 23:06:15 -04:00
Ray Speth
d24dfea036 Remove unnecessary public/private/protected labels 2015-08-02 23:06:15 -04:00
Ray Speth
f219b49e63 Remove unnecessary newlines in function signatures 2015-08-02 23:06:15 -04:00
Ray Speth
d086be8d3d Eliminate do-while loops in favor of regular while loops 2015-08-02 23:06:15 -04:00
Ray Speth
a6e390dfc5 Standardize always-true while loop condition to "true" 2015-08-02 23:06:15 -04:00
Ray Speth
187fd27cef Remove unnecessary use of (void) 2015-08-02 23:06:14 -04:00
Ray Speth
09207eacfb Eliminate use of 'memset' 2015-08-02 23:06:14 -04:00
Ray Speth
c3c80f79fb Remove extraneous parentheses 2015-08-02 23:06:14 -04:00
Ray Speth
89c751f217 Fix compilation problems when debug_verbose=y 2015-08-02 23:06:14 -04:00
Ray Speth
65741171f4 [Doc] Fix typos in NASA polynomial formulas 2015-07-23 16:46:08 -04:00
Ray Speth
d8772f261b [Reactor] Cannot add sensitivity reactions to initialized ReactorNet 
Before, the attempt to add the reaction was silently ignored. Now, this raises
an exception.
 2015-07-21 14:54:13 -04:00
Ray Speth
6cc5652de6 Remove commented-out code 2015-07-20 17:20:46 -04:00
Ray Speth
de005c083e Eliminate VCS_DATA_PTR macro 2015-07-20 16:17:31 -04:00
Ray Speth
bf2ceed60e Remove some leftover debugging ifdefs 2015-07-20 15:47:17 -04:00
Ray Speth
c49c969184 [Kinetics] Remove unused code for reactant and product "groups" 2015-07-20 14:04:53 -04:00
Ray Speth
4f1250ef53 [Kinetics] Remove unneeded variables for reaction equation 
Extract this data from the reaction objects directly as needed.
 2015-07-20 13:53:47 -04:00
Ray Speth
62f2af5534 [Kinetics] Eliminate unnecessary variable m_rxntype 2015-07-20 13:01:05 -04:00
Ray Speth
f623e44d32 [Kinetics] Eliminate unnecessary m_rrxn and m_prxn variables 
This information can be extracted from the Reaction objects as-needed.
 2015-07-20 12:56:56 -04:00
Ray Speth
ca90c671ac [Thermo/Doc] Fix description of Shomate temperature polynomial 
The docstring for this function was incorrectly copied from NasaPoly1.
 2015-07-17 18:21:25 -04:00
Ray Speth
b7a5aff900 [Thermo] Convert Shomate coefficients when creating objects 
Do conversion to nondimensional units once when creating the ShomatePoly object,
instead of every time that properties are calculated.
 2015-07-17 18:18:03 -04:00
Ray Speth
761f54f241 Eliminate unnecessary counter variable Kinetics::m_ii 2015-07-16 15:37:41 -04:00
Ray Speth
571eaeda24 [Samples] Fix compilation errors and warnings in the C++ examples 2015-07-16 12:38:34 -04:00
Ray Speth
e21a7ce7d7 Fix incorrect index check in GeneralSpeciesThermo::reportParams 
The SpeciesThermoInterpType no longer knows the species index, so
it isn't actually returned by the reportParameters function.
 2015-07-16 12:28:46 -04:00
Ray Speth
c08c365ebb Remove unimplemented option to use QR factorization in BandMatrix 2015-07-16 10:52:42 -04:00
Ray Speth
be0324e2cf Remove link to old dev list 2015-07-16 10:42:52 -04:00
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