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55 commits

Author SHA1 Message Date
Ingmar Schoegl
7c08e17f08 [Thermo] deprecate Phase::id and Phase::setID 
* Merge usage of 'id' and 'name' in the context of Phase objects
* Raise deprecation warnings for Phase::id and Phase::setID
 2019-10-23 13:45:29 -04:00
Paul
c4aff04418 Updated URL in references to Cantera's license. 2019-09-23 22:02:33 -04:00
Ray Speth
53faf54ceb [Thermo] Add ThermoPhase.standardConcentrationUnits method 
This method returns the units of the concentration-like terms appearing
in rate expressions, and are needed in order to convert rate constants
from user-specified input units to Cantera's MKS+kmol system.
 2019-06-25 22:30:59 -04:00
Ray Speth
ecc1cf0db2 [Input] Create PureFluid objects from YAML definitions 2019-06-25 22:30:59 -04:00
Ray Speth
fb68cae145 [Thermo] Keep PureFluidPhase state data consistent 
Previously, calls to setTemperature, setDensity, and setState_TR did not result
in the underlying Substance object being updated. In addition, the
isothermalCompressibility and thermalExpansionCoeff methods did not synchronize
the state.

Now, setting the state of the PureFluidPhase object always sets the state of the
Substance object, and no synchronization is required in property calculation
functions.
 2018-08-03 15:18:30 -04:00
Bryan W. Weber
6b3c912ec3 Fix MemoryWriter is no longer available from fmtlib 
In fmtlib 5.0.0, MemoryWriter was removed. The recommendation is to
replace it with memory_buffer
 2018-05-30 14:16:27 -04:00
Ray Speth
2ac8a0ef08 [Thermo] Use min/max temperatures from equation of state 
The values in the liquidvapor.cti should be ignored, since this thermo data is
not actually applicable -- it is just used to set the reference state.
 2017-12-02 19:19:51 -05:00
Ray Speth
35679c2e9e [Thermo] Make m_species a non-pointer member of ThermoPhase 2017-02-22 22:18:40 -05:00
Ray Speth
50ed3f2e72 [Thermo] PDSS objects store their own data 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
86dca05369 [Thermo] Make PureFluidPhase configurable without XML 
The 'setSubstance' method allows setting the equation of state to use, which
could only be done before using the 'setParametersFromXML' method.
 2017-02-03 21:56:29 -05:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Bryan W. Weber
02f0e273d9 Add a note about the state setters to PureFluidPhase 2016-01-25 13:14:50 -05:00
Bryan W. Weber
63cfed1503 Add functions to set property pairs specified in Sub.cpp 
Add functions to set the unimplemented property pairs specified
in the Substance::Set function of Sub.cpp
 2016-01-25 13:07:34 -05:00
Bryan W. Weber
31316b7079 Switch PureFluidPhase to use double instead of doublereal 2016-01-25 13:07:34 -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
5e69a9949a Use ThermoPhase::RT() where convenient 2015-11-12 15:36:17 -05:00
Ray Speth
fe4035647f Clean up remaining Thermo comments 2015-11-12 11:41:34 -05:00
Ray Speth
fb4eece9f8 Use std::unique_ptr instead of raw pointers where appropriate 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
41527b1ea7 Rename two-argument version of writelog 'debuglog' 
This is a prerequisite to allowing writelog to take an arbitrary number
of arguments.
 2015-10-14 18:45:22 -04:00
Ray Speth
caf9c6f062 Use cppformat in ThermoPhase::report and overrides 2015-10-14 18:45:22 -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
6a04193646 Fix un-bracketed if, for, and else statements 2015-08-02 23:06:15 -04:00
Ray Speth
cc17716182 Cleanup trailing whitespace 2015-02-26 21:52:52 +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
6a07722675 [Thermo] Remove unnecessarily overridden methods in PureFluidPhase 2014-09-02 22:34:25 +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
ea3f74eb27 [Thermo] 'report' only prints species with non-trivial mole fractions 
The threshold for printing species is a new, optional parameter to the
'report' function. If any species are excluded, the total number of
minor species and their aggregate mass and mole fraction are printed.
 2014-06-03 16:54:15 +00:00
Ray Speth
789574ac80 Remove commented-out code 2014-05-27 02:52:21 +00:00
Ray Speth
95eb7ab3ba Remove newline after '::' in member function definitions 
This inconsistency makes it hard to directly search the code for a specific
member function definition.
 2014-03-24 04:03:09 +00:00
Steven DeCaluwe
23b725d3a8 Removed 'const' declaration for function satPressure in members of the ThermoPhase class 2013-07-15 17:43:54 +00:00
Ray Speth
d253fc0d63 Eliminate redundant standard library includes 2013-06-05 17:08:13 +00:00
Ray Speth
ee74c80afc Fixed a number of "shadowed variable" compiler warnings 2013-04-18 22:08:36 +00:00
Ray Speth
934010136d Removed unnecessary temporaries used for storing return values 2013-02-14 01:04:07 +00:00
Ray Speth
6d6e237f07 Removed unnecessary checks surrounding delete operations 2013-02-14 01:03:32 +00:00
Ray Speth
d59cac4ca0 Cleaned up Doxygen docs for other descendants of ThermoPhase 2013-02-14 01:02:58 +00:00
Ray Speth
1e43e4f333 Added a version of writelog which takes the log level as an argument 2012-12-30 00:17:08 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
3e71897a9c Use actual enums for the pure fluid constants 2012-08-08 22:17:57 +00:00
Ray Speth
b7ee30aa04 Simplified error handling in pure fluid (tpx) calculations 
TPX_Error is now derived from CanteraError, and errors in the tpx calculations
propagate automatically without requiring explicit checks for an error
condition.
 2012-08-08 22:17:48 +00:00
Ray Speth
6663ec05c2 Simplified PureFluidPhase::report 2012-08-08 22:17:43 +00:00
Ray Speth
3fae5d93f7 Refactored ThermoPhase::reportCSV 
The reportCSV method is responsible for formatting and writing the data provided
by the getCsvReportData method. Derived classes need only override the latter
method to customize their reports.

Also, the data which was not in a CSV format has been removed from the output so
the name of the method is no longer misleading.
 2012-08-08 22:17:33 +00:00
Ray Speth
6011f24b38 Removed unnecessary WITH_FEATURE configuration options 2012-05-31 14:57:32 +00:00
Ray Speth
8ea4ae728a Moved a few standard library includes to more local scopes 2012-03-23 22:16:04 +00:00
Ray Speth
78a093b485 Folded class Constituents into class Phase 2012-03-09 22:56:11 +00:00
Ray Speth
3bff32dd55 Fixed problems that generated warnings with the Intel compiler 2012-03-07 00:51:13 +00:00