Ingmar Schoegl
ae792dde00
implemented limited advance step
2019-06-26 13:48:01 -04:00
Ray Speth
b77f368ead
[Input] Instantiate BinarySolutionTabulatedThermo from YAML
2019-06-25 22:30:59 -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
0b04881b8d
[Input] Handle "declared-species" option for adding reactions from YAML
2019-06-25 22:30:59 -04:00
Ray Speth
69371e5751
[Python] Implement Reaction constructors from YAML files/strings
2019-06-25 22:30:59 -04:00
Ray Speth
8037497dd3
[Python] Implement Species constructors from YAML files/strings
2019-06-25 22:30:59 -04:00
Ray Speth
040ffe4711
[Doc] Add comments to AnyMap and AnyValue classes
2019-06-25 22:30:59 -04:00
Ray Speth
672b55a72f
Add AnyValue::getMapWhere function
2019-06-25 22:30:59 -04:00
Ray Speth
d77a5979a8
[Input] Provide context for more errors in YAML processing
2019-06-25 22:30:59 -04:00
Ray Speth
b1273301cc
[Input] Create Metal objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
088e0031fd
[Input] Create LatticePhase and LatticeSolidPhase from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
f1937bfada
[Input] Create IdealSolidSolnPhase objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
3011374ff6
[Input] Create ConstDensityThermo objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
9e98aef969
[Input] Create RedlichKwongMFTP objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
b0209bdf37
[Input] Store additional reaction data in 'input' map
2019-06-25 22:30:59 -04:00
Ray Speth
26bd71af53
[Input] Create Surface and Edge phases from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
6a8c378846
[clib] Add functions for creating objects directly from input files
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These methods work with YAML, CTI, and XML input files.
2019-06-25 22:30:59 -04:00
Ray Speth
338a38b87c
[Input] Store additional species transport data in TransportData object
2019-06-25 22:30:59 -04:00
Ray Speth
3028c14a10
Improve setting of default energy and pressure units
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Only treat activation energies as a special case, rather than all molar
energies. Units of activation energy can be set either explicitly or by setting
units for energy and quantity. Only the case where activation energies are given
as temperatures needs to be specified explicitly.
Allow setting of default energy units, which allows calories to be used.
Also add dyn/cm^2 as an option for pressure units.
2019-06-25 22:30:59 -04:00
Ray Speth
7d964dae47
[Input] Create MaskellSolidSoln objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
a3024d7699
[Input] Create IonsFromNeutral objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
8b47274765
[Input] Create DebyeHuckel and PDSS_Water objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
fb1054a259
Fix AnyMap compilation issues with some compilers
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Some versions of G++ complained about being unable to decide between the const
and non-const functions. Rewriting without the use of the deprecated
std::mem_fun is the simplest fix.
2019-06-25 22:30:59 -04:00
Ray Speth
89838c3ffb
[Input] Use YAML 'equation-of-state' field to create PDSS objects
2019-06-25 22:30:59 -04:00
Ray Speth
6dac1b0409
[Input] Allow mapping for Arrhenius parameters, and use this as the default
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Pressure-dependent Arrhenius reactions now use a list of mappings instead
of a more complicated nested list structure.
2019-06-25 22:30:59 -04:00
Ray Speth
fdfbc58a1e
[Input] Search current directory for referenced YAML input files
2019-06-25 22:30:59 -04:00
Ray Speth
2c58dd78c6
[Input] Create FixedChemPot objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
a5bf674419
[Input] Cache parsed YAML files to speed up repeated reads
2019-06-25 22:30:59 -04:00
Ray Speth
6d6f34bee3
[Input] Read species Transport data from YAML / AnyMap
2019-06-25 22:30:59 -04:00
Ray Speth
96124f8455
[Input] Store phase definition parameters in the ThermoPhase object
2019-06-25 22:30:59 -04:00
Ray Speth
f0dc990764
Create a complete Kinetics object from a YAML input file
2019-06-25 22:30:59 -04:00
Ray Speth
f4d45f8a85
Create a complete ThermoPhase object from a YAML input file
2019-06-25 22:30:59 -04:00
Ray Speth
c8b737035d
[Thermo] Add method for setting the state using an AnyMap
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Analogous to ThermoPhase::setStateFromXML, but more flexible
2019-06-25 22:30:59 -04:00
Ray Speth
3251a3533e
Add AnyMap::erase method
2019-06-25 22:30:59 -04:00
Ray Speth
0264c66f79
Add const version of AnyMap operator[]
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Reduces the need to use the at() function
2019-06-25 22:30:59 -04:00
Ray Speth
7d3488a973
Add AnyMap.keys_str function
2019-06-25 22:30:59 -04:00
Ray Speth
a32e32b7d7
Remove AnyMap traversal using "/" as a path delimiter
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This feature was unused, and interfered with the use of "/" as a delimiter
for YAML keys indicating keys in other input files.
2019-06-25 22:30:59 -04:00
Ray Speth
e28c9add21
Add variants of AnyValue.asMap for accessing lists of maps
2019-06-25 22:30:59 -04:00
Ray Speth
71bf44d11f
[Input] Parse YAML entries for Species objects
2019-06-25 22:30:59 -04:00
Ray Speth
84fa231ea2
[Input] Read local 'units' definitions in reaction and thermo entries
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Move 'convert' functions that work with missing keys to AnyMap class.
2019-06-25 22:30:59 -04:00
Ray Speth
6e3053dd1c
Add function for setting default units from a std::map
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This is the form that will be used when reading units from a YAML
input file.
2019-06-25 22:30:59 -04:00
Ray Speth
f0bb0d2262
Make AnyMap iterable
2019-06-25 22:30:59 -04:00
Ray Speth
74eec731f1
Add a version of UnitSystem.convert that handles default values
2019-06-25 22:30:59 -04:00
Ray Speth
2b41486850
[Input] Parse YAML entries for NASA 7-coefficient polynomials
2019-06-25 22:30:59 -04:00
Ray Speth
3eaa32dea3
[Thermo] Make SpeciesThermoInterpType objects default constructible
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Also provide setters for all all parameters which were set by the
constructor.
2019-06-25 22:30:59 -04:00
Ray Speth
7a97ff9917
Add optional length check when converting AnyValue to vector
2019-06-25 22:30:59 -04:00
Ray Speth
d476ad8e59
Use Boost to demangle type names in AnyValue casting errors
2019-06-25 22:30:59 -04:00
Ray Speth
0220e11ef9
Allow conversion from long int to double in AnyValue.asMap
2019-06-25 22:30:59 -04:00
Ray Speth
de80f06887
[Input] Parse YAML entries for elementary reactions
2019-06-25 22:30:59 -04:00
Ray Speth
224c46ebbb
Add functions for converting units from AnyValue instances
2019-06-25 22:30:59 -04:00
