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710 commits

Author SHA1 Message Date
Ray Speth
739d4e4830 [Equil] Eliminate redundant variables from VCS_SOLVE 
Most of these were originally members of VCS_PROB
 2017-08-21 21:33:00 -04:00
Ray Speth
4934079d69 [Test/Transport] Move simpleTransport test to GTest suite 2017-08-15 18:42:53 -04:00
Ray Speth
7020fa72bf [Transport] Make SimpleTransport constructible without XML 2017-08-15 17:54:15 -04:00
Ray Speth
4c630fc592 [Thermo] Make PDSS_HKFT constructible without XML 
Also fixes PDSS_HKFT to actually make use of the units specified for each input
constant.
 2017-08-13 23:59:49 -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
6bfd82e0be [Thermo] Remove unused "vacancy species" from LatticePhase 2017-07-17 23:41:44 -04:00
Ray Speth
f3ba29f0bc [Thermo] Fix default molar volume in LatticePhase 
Molar volume is the inverse of molar "site" density
 2017-07-17 23:41:44 -04:00
Ray Speth
2c3512c22a [Thermo] Fix PDSS_HKFT initialization when one property is not given 
Calculating one of G0, H0, or S0 requires the parent ThermoPhase object, so this
calculation has to be delayed until m_tp has been set.
 2017-03-02 19:53:23 -05:00
Ray Speth
04cac2b277 [Thermo] Refactor construction of PDSS objects 
Introduce a default constructor for PDSS objects, and avoid
passing in unnecesary arguments to initialization functions.
 2017-02-22 22:18:40 -05:00
Ray Speth
70e10632d4 [SCons] Fix implicit dependencies on 'build' step 
The 'install' and 'test' targets had some undeclared dependencies on the 'build'
target, such that running 'scons install' or 'scons test' without having first
run 'scons build' would result in incomplete installation or test failures,
respectively.

Fixes #432.
 2017-02-17 11:51:12 -05:00
Ray Speth
38d291c683 [Thermo] Fix reference pressure assumptions in VPSSMgr classes 
The reference pressure (p0) must be species-specific, since for certain PDSS
classes (e.g. PDSS_Water) p0 is a function of temperature, while for other
classes (PDSS_ConstVol) it is a constant.

VPSSMgr_Water_ConstVol further assumed that the reference pressure for all
species was 1 atm, ignoring the setting in the PDSS object. Fixing this changed
test results for HMW_test_1 and HMW_test_3.

Added a test that specifically compares VPSSMgr_Water_ConstVol with
VPSSMgr_General.
 2017-02-13 13:25:46 -05:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
5861bc174d [Test] Remove unused files from test_problems directory 2016-11-14 00:16:34 -05:00
Ray Speth
583b715fca [Test] Remove obsolete note on limitation for surfSolver test input 2016-11-11 23:06:35 -05:00
Ray Speth
deeb6198a0 [Test] Add test of clib 2016-11-04 19:15:07 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
92ae2bdfba [Test] Remove unused diamondSurf_dupl test 2016-07-29 18:57:29 -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
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
62524e8820 [Equil/Test] Fix failures involving use of global variables 
Direct use of "global" variables defined in the shared library results in
inconsistent behavior.
 2016-07-05 17:12:13 -04:00
Ray Speth
d4ddabc76c Use system-installed version of fmt library if available 
Resolves #348.
 2016-07-05 14:17:01 -04:00
Ray Speth
4e23793ebd Update fmt to version 3.0.0 and fix compatibility issues 
Resolves #349.
 2016-07-05 13:52:46 -04:00
Ray Speth
b7e1a5f0bd [Transport] Use correct scaling factor when fitting conductivity 
Fixes #345
 2016-06-20 19:07:56 -04:00
Ray Speth
14b9454819 [C++] Clean up of top-level headers 
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.

Deprecate some top-level headers which are not really useful.
 2016-05-14 16:10:10 -04:00
Ray Speth
70824559ce [Test/Equil] Update tests to sometimes use VCS 'estimate_equil' option 2016-04-14 21:51:53 -04:00
Ray Speth
155105c916 Update .gitignore 2016-04-13 21:11:04 -04:00
Ray Speth
1a64a230b1 [Test] Add test of VCS equilibrium solver with higher loglevel 
This improves the overall coverage of the test suite, since otherwise much
of the logging code in the VCS solver is not executed.
 2016-04-08 15:40:22 -04:00
Ray Speth
919045e88c [Test] Remove unnecessary files from cxx_ex 2016-04-07 23:22:47 -04:00
Ray Speth
f91afda8cb Replace usage of fp2str with cppformat and deprecate fp2str 2016-02-04 19:11:45 -05:00
Ray Speth
1c09f7f14b [Thermo] Make continuity check for enthalpy dimensionally consistent 
All quantities here are nondimensional, so taking h+cp*T makes no sense, and
caused the test to pass even for suspicously discontinuous thermo data (although
the bad data would generally get flagged by the tests for cp and/or s).
 2015-12-15 11:41:54 -05:00
Ray Speth
a75a8f2c82 [Test] Move testIAPWSPres into the gtest suite 2015-11-24 10:59:15 -05:00
Ray Speth
61a457121a [Test] Move testIAPWSTripP into the gtest suite 2015-11-24 10:59:14 -05:00
Ray Speth
1cc0d42988 [Test] Move tests for WaterPropsIAPWSphi to gtest suite 
Remove test-related functions from the implementation.
 2015-11-24 10:59:14 -05:00
Ray Speth
7562d79bad Remove unnecessary calls to ostream.close() 2015-11-23 18:06:54 -05:00
Ray Speth
a7db9a7411 Fix LD_LIBRARY_PATH order when running tests 
build/lib needs to be first in case LD_LIBRARY_PATH contains another Cantera
installation.

Resolves #310.
 2015-11-22 17:04:05 -05:00
Ray Speth
ee95c60813 Simplify error handling to eliminate need for global error stack 
All of the functions for manipulating the global error stack
(CanteraError::save, setError, showErrors, etc.) are deprecated. The ability to
store an error is retained only for use in the C and Fortran interfaces so that
the last error message can be retrieved after a function returns an error code.
 2015-11-16 19:50:55 -05:00
Ray Speth
0542e694a9 [Thermo] Merge classes StoichSubstance and StoichSubstanceSSTP 
Use the implementation of StoichSubstanceSSTP (descended from
SingleSpeciesTP) but change the name to StoichSubstance.
 2015-10-19 00:17:40 -04:00
Ray Speth
0647823ada Replace DATA_PTR macro with calls to data() 2015-10-17 18:58:50 -04:00
Ray Speth
a945ef2c23 Make use of initializer lists where appropriate 2015-10-17 18:58:50 -04:00
Ray Speth
f335350c35 Always use std::shared_ptr 
Since we compile as c++11, std::shared_ptr is guaranteed to exist.
 2015-10-14 18:45:23 -04:00
Ray Speth
e131766b71 Replace auto_ptr with unique_ptr 
auto_ptr is deprecated in c++11
 2015-10-14 18:45:23 -04:00
Ray Speth
71bb73b728 Eliminate unnecessary calles to std::string.c_str() 2015-10-14 18:45:22 -04:00
Ray Speth
16143b47b6 Replace most uses of sprintf with cppformat 2015-10-14 18:45:22 -04:00
Ray Speth
5ed6d9a2af [Test] Fix compilation errors with VS2015 2015-09-08 12:26:58 -04:00
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 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
801334c84e Merge nested if statements 2015-08-02 23:06:15 -04:00