Ray Speth
ecc1cf0db2
[Input] Create PureFluid 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
0d1196bd46
[Input] Create InterfaceKinetics and InterfaceReaction objects from YAML
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
9ffab53a17
[Fortran] Add functions for constructing objects based on filenames
...
Bypass reading and manipulation of XML files in Fortran, so that XML, CTI,
and YAML input files can all be used.
2019-06-25 22:30:59 -04:00
Ray Speth
901ec2f12c
[Matlab] Construct objects directly from input file names
...
Bypass reading and manipulation of XML files within Matlab, so that XML, CTI,
and YAML input files can all be used.
2019-06-25 22:30:59 -04:00
Ray Speth
6a8c378846
[clib] Add functions for creating objects directly from input files
...
These methods work with YAML, CTI, and XML input files.
2019-06-25 22:30:59 -04:00
Ray Speth
fd088889cd
[Transport] Add tests based on YAML 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
48a32ae8bf
[Thermo] Enable creation of ThermoPhase objects from YAML file names
2019-06-25 22:30:59 -04:00
Ray Speth
580b75b2d2
[Input] Add new aliases for transport models
...
These names are consistent with the style used in YAML input files
2019-06-25 22:30:59 -04:00
Ray Speth
45d5099979
Create PDSS_HKFT objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
3028c14a10
Improve setting of default energy and pressure units
...
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
56612115f3
[Input] Create HMWSoln objects from YAML definitions
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
d8a1337933
[Input] Create RedlichKister objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
4f30f1156d
[Input] Fix reference pressure on constant cp thermo created from YAML
...
Also make 298.15 the default reference temperature
2019-06-25 22:30:59 -04:00
Ray Speth
72d345619f
[Input] Create PDSS_SSVol objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
1e8b8b538c
[Input] Create IdealGasVPSS and PDSS_IdealGas 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
07aadbce6c
[Test] Add more checks to DebyeHuckel.fromScratch
...
Change species molar volumes to match DH_NaCl_bdotak.xml
2019-06-25 22:30:59 -04:00
Ray Speth
fb1054a259
Fix AnyMap compilation issues with some compilers
...
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
e7c6495ec7
[Input] Create IdealMolalSoln objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
1bdbf2a010
[Input] Create Margules and PDSS_ConstVol objects from YAML definitions
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
...
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
d7734e3f19
[Input] Allow "=" as a delimiter for reversible reactions in YAML
2019-06-25 22:30:59 -04:00
Ray Speth
cae5c498ca
[Input] Create WaterSSTP objects from YAML definitions
2019-06-25 22:30:59 -04:00
Ray Speth
98a9566fc4
[Input] Create StoichSubstance objects from YAML definitions
...
The (fixed) density is now read from the species definition, rather than the
phase definition.
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
40c403c07d
Add ability to instantiate Transport objects from YAML files
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
59b0f64e26
[Python] Add ability to instantiate objects from YAML files
2019-06-25 22:30:59 -04:00
Ray Speth
8a0eed3be5
[Python] Use shared_ptr for C++ objects owned by Solution
2019-06-25 22:30:59 -04:00
Ray Speth
be4d9cbc55
[Input] Add ck2yaml script for converting Chemkin files to YAML
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
...
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[]
...
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
afd5d82280
[Input] Provide context lines in YAML parsing error messages
2019-06-25 22:30:59 -04:00
Ray Speth
a32e32b7d7
Remove AnyMap traversal using "/" as a path delimiter
...
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
