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100 commits

Author SHA1 Message Date
Ray Speth
56612115f3 [Input] Create HMWSoln objects from YAML definitions 2019-06-25 22:30:59 -04:00
Evan McCorkle
713b9cc23c Wrapped common uses of boost string algorithms. 
- Limits propagation of boost header and namespace.
 2017-10-25 09:30:22 -04:00
Ray Speth
1b97c49d8d [Thermo] Make species size local to SurfPhase 2017-10-05 22:58:19 -04:00
Ray Speth
572af616e7 [Thermo] Remove optional debug printing from HMWSoln 2017-08-07 21:47:10 -04:00
Ray Speth
e9f08fc58e [Thermo] Move implementation of HMWSoln into a single file 2017-08-07 21:33:02 -04:00
Ray Speth
3790115b99 [Thermo] Make HMWSolution constructible without XML 2017-08-07 21:32:15 -04:00
Ray Speth
4b69c7f265 [Thermo] Remove unused ionic radius from HMWSoln 2017-08-07 20:58:18 -04:00
Ray Speth
d07908f9c9 [Thermo] Clean up HMWSoln variables used in cutoff calculation 2017-08-07 20:58:18 -04:00
Ray Speth
6ca782030d [Thermo] Remove unused data from HMWSoln 
The model implemented does not use the weak acid / "electrolyte species type"
concept, so there is no reason to read data about this from the input file.
 2017-08-07 20:57:34 -04:00
Ray Speth
cfc3b728f5 [Thermo] Remove m_formGC and m_formPitzer switches from HMWSoln 
These switches only had one possible value, so were not actually useful.
 2017-08-07 20:57:34 -04:00
Ray Speth
e33fe6904d [Thermo] Solvent is always the first species 
No useful capabilities are provided by allowing the solvent species to vary, and
there are many places where the solvent was already implicitly assumed to be the
first species.
 2017-08-07 20:57:34 -04:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -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
aa5f26bda6 [Thermo] Check dynamic_cast to PDSS_Water 
Resolves #6
 2016-05-03 15:03:52 -04:00
Ray Speth
6e3812a828 [Thermo] Remove unnecessary temporary work vectors 2016-04-18 17:52:08 -04:00
Ray Speth
e58bd09859 Eliminate debug_verbose option and DEBUG_MODE macro 
Vebose printing can always be enabled at runtime by setting flags on various
classes.
 2015-11-18 11:02:30 -05:00
Ray Speth
f6d19ccd59 [Thermo] Remove unnecessary overrides of VPStandardStateTP methods 
setPressure, setTemperature, and setState_TP are all implemented generally in
VPStandardStateTP. The specialization in child classes is always handled in
calcDensity().
 2015-11-12 15:04:45 -05:00
Ray Speth
fe4035647f Clean up remaining Thermo comments 2015-11-12 11:41:34 -05:00
Ray Speth
4382ae6c85 Clean up comments in Thermo class source files 2015-11-09 17:34:46 -05:00
Ray Speth
0647823ada Replace DATA_PTR macro with calls to data() 2015-10-17 18:58:50 -04:00
Ray Speth
8b16eb489f Eliminate unnecessary aliases for member variables in HMWSoln 2015-10-17 18:58:50 -04:00
Ray Speth
fb4eece9f8 Use std::unique_ptr instead of raw pointers where appropriate 2015-10-14 18:45:23 -04:00
Ray Speth
0b2c7b59b8 Replace printf with writelogf in all library code 2015-10-14 18:45:23 -04:00
Ray Speth
7bcbbaafd9 [Thermo] Use consistent implementation for convenience constructors 
The constructor with the signature (inputFile, [id]) just calls initThermoFile.
The constructor with the signature (phase XML node, [id]) just calls importPhase
(note that the id argument is unused, since the correct XML node must already be
given).
 2015-08-05 12:34:22 -04:00
Ray Speth
7fe8f0f3b7 [Thermo] Refactor common initialization out of constructors 2015-08-05 12:09:02 -04:00
Ray Speth
ceefc5ecb0 Consistently use ThermoPhase::RT() 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
801334c84e Merge nested if statements 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
187fd27cef Remove unnecessary use of (void) 2015-08-02 23:06:14 -04:00
Ray Speth
6cc5652de6 Remove commented-out code 2015-07-20 17:20:46 -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
341b137766 [Doc] Capitalize proper nouns and acronyms 2015-05-25 20:58:44 -04:00
Ray Speth
1dd7b214b5 [Thermo] Deprecate unused method 'getUnitsStandardConc' 
First step in resolving Issue #96
 2015-04-14 15:18:20 -04:00
Ray Speth
2ed8552939 [Thermo] Add a version of Phase::mean_X that takes vector_fp 
This simplifies all internal calls to this function
 2015-02-20 23:44:21 +00:00
Ray Speth
09ce99dc83 [Thermo] Eliminate redundant assignment of m_kk 
m_kk is automatically set as species are added to a phase.
 2015-02-20 23:43:12 +00:00
Ray Speth
7acf0378c6 [Thermo] Improve usage of local variables 
Also eliminate some unnecessary temporary variables.
 2015-02-12 04:04:18 +00:00
Ray Speth
b8a99b4b83 Remove unnecessary explicit calls to default constructors 2015-01-22 00:04:12 +00:00
Ray Speth
ba42bc6da2 [Doc] Remove suppression of Doxygen autolinking 
In those cases where the name is actually a reference to the class, we actually
want Doxygen to apply formatting to the name and link to the class's
documentation, so we shouldn't suppress that behavior with the prepended '%'.
 2014-12-05 23:33:24 +00:00
Ray Speth
363d3ec3f0 Remove HMWSoln 'testProb' constructor 
This constructor was used only in HMW_test_1, and it just set the same
parameters that were already read from the XML input file.
 2014-11-08 00:53:33 +00:00
Ray Speth
002c158761 Cleanup include statements 
Move includes from header to implementation files where possible, and remove
unnecessary includes.
 2014-08-28 16:54:13 +00:00
Ray Speth
83e38480d6 Throw exceptions instead of calling std::exit after an error 
By throwing an exception, Cantera is better behaved when used within other
applications, e.g. as in the case of the Matlab and Python interfaces.
 2014-06-06 00:17:58 +00:00
Ray Speth
dbfe428437 Fix compiler warnings 
These were mostly related to changes from r2957.
 2014-06-03 16:53:40 +00:00
Ray Speth
b5396837b2 Make use of std::min, std::max, and clip 2014-06-03 16:52:43 +00:00
Ray Speth
712293e415 Change debug code to avoid ifdefs where possible 
Use "if (DEBUG_MODE_ENABLED)" instead of "#ifdef DEBUG_MODE". This makes
it easier to see the flow control logic, and the compiler will optimize
out the always-false conditionals when DEBUG_MODE_ENABLED is 0, so there
isn't any speed penalty.
 2014-05-27 02:53:22 +00:00
Ray Speth
7ec4531ae0 Removed debugging code that didn't actually do anything 2014-05-27 02:53:16 +00:00
Ray Speth
789574ac80 Remove commented-out code 2014-05-27 02:52:21 +00:00