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1737 commits

Author SHA1 Message Date
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
Ray Speth
84fa231ea2 [Input] Read local 'units' definitions in reaction and thermo entries 
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 
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
4c5040e829 [Input] Parse YAML entries for piecewise Gibbs (Mu0Poly) species thermo 2019-06-25 22:30:59 -04:00
Ray Speth
f0bb0d2262 Make AnyMap iterable 2019-06-25 22:30:59 -04:00
Ray Speth
86c73dad20 [Input] Parse YAML entries for constant cp species thermo 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
7211f08891 [Input] Parse YAML entries for NASA 9-coefficient polynomials 2019-06-25 22:30:59 -04:00
Ray Speth
7ff6e8fac2 [Input] Parse YAML entries for Shomate polynomials 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 
Also provide setters for all all parameters which were set by the
constructor.
 2019-06-25 22:30:59 -04:00
Ray Speth
aef101fee7 [Input] Parse YAML entries for Chebyshev reactions 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
24d1e86440 Improve "missing key" error message for AnyMap 2019-06-25 22:30:59 -04:00
Ray Speth
b54ea8bd82 [Input] Parse YAML entries for Plog reactions 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
cb31c297cf [Input] Parse YAML entries for falloff and chemically activated reactions 2019-06-25 22:30:59 -04:00
Ray Speth
8b502d4065 [Input] Parse YAML entries for three body reactions 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
Ray Speth
65121becac Add special handling of activation energies to class Units 2019-06-25 22:30:59 -04:00
Ray Speth
da097631e3 UnitSystem class supports default source units for conversions 2019-06-25 22:30:59 -04:00
Ray Speth
c9b7de3b70 Add support for metric prefixes to class Units 2019-06-25 22:30:59 -04:00
Ray Speth
b8cb2c30f8 Add 'Units' class for doing conversions with dimensionality checks 
Introduces a new, more natural notation for writing unit strings,
for use in YAML input files. Unlike 'toSI', conversions are checked for
dimensional consistency.
 2019-06-25 22:30:59 -04:00
Ray Speth
ea88d4f9fb Add "get" functions to AnyMap 
Simplify the common use case of checking for a key and using a default
value when it is missing.
 2019-06-25 22:30:59 -04:00
Ray Speth
530adbb931 Add automatic conversions to vector<AnyValue> 2019-06-25 22:30:59 -04:00
Ray Speth
e5bd0b136f Allow AnyValue to convert implicitly from long int to double 2019-06-25 22:30:59 -04:00
Ray Speth
00f6b88fa4 [Input] Implement construction of AnyMap from YAML string/file 2019-06-25 22:30:59 -04:00
Ray Speth
e85e0e2108 Fix constness of some AnyMap functions 2019-06-25 22:30:59 -04:00
Ray Speth
ed24198e63 Add option to compile yaml-cpp or use system library 2019-06-25 22:30:59 -04:00
Thanasis Mattas
6a42e5942e rearranging methods to aid src reading 2019-06-08 17:25:55 -04:00
Thanasis Mattas
ea3bb0af90 Some documentation corrections at xml.h 2019-06-08 17:25:55 -04:00
Ingmar Schoegl
5d62f3bacc added factories for FlowDevice and Wall objects 2019-05-28 19:21:28 -04:00
Ingmar Schoegl
f078f53f39 Enable additional states / equations in onedim 2019-04-17 00:06:26 -04:00
Nick
848a3bf0e3 Add InterfaceKinetics.advance_coverages integrator options to the cython interface, and test 2019-04-10 22:14:27 -04:00
Nick
d2cb02f254 add integrator parameters to the InterfaceKinetics::advanceCoverages & ImplicitSurfChem constructor to allow users to modfiy 2019-04-10 22:14:27 -04:00
g3bk47
471041a27a Additional check for Troe coefficients being zero 
This will prevent floating point exceptions (sometimes enabled by third-party
codes) in case c[1] or c[2] are zero but will not change the current behaviour
if c[1] and c[2] are not zero.
 2019-03-18 14:39:50 -04:00
Ray Speth
5e226535de Fix regression in compatibility with Sundials 2.4.0 
Regression was introduced in 9c50f752 when adding compatibility with
Sundials 3.x.

Fixes #613
 2019-03-14 14:03:51 -04:00
Ray Speth
d6d91f4d98 [Thermo] Fix updating state of PDSS_IonsFromNeutral objects 
Setting T and P now updates the state of the underlying "neutral
molecule phase".

Also removed the unimplemented setState_TR method.
 2019-03-06 19:50:16 -05:00
Ray Speth
bdc81684b1 [Thermo] Fix BinarySolutionTabulatedThermo initial mole fraction thermo 
The value of m_xlast should only be set to a valid value by _updateThermo,
after it has calculated values for the tabulated enthalpy and entropy.
 2019-03-06 19:48:45 -05:00
Ray Speth
aceb896f62 [Thermo] Fix BinarySolutionTabulatedThermo updates when only T changes 
In the case where temperature changes but the mole fractions are the same, we
still need to apply the enthalpy and entropy offsets to the tabulated species.
 2019-03-06 19:48:45 -05:00
Ray Speth
47005a5008 [Thermo] Fix overriding of IdealSolidSolnPhase::_updateThermo 
Since IdealSolidSolnPhase::_updateThermo wasn't a virtual method, and
the signatures didn't match (const vs non-const), calls to this method
from IdealSolidSolnPhase weren't being overridden by
BinarySolutionTabulatedThermo::_updateThermo as expected.
 2019-03-06 19:48:45 -05:00
Ray Speth
6c82b61c3d [Kinetics] Always use temperature of "reacting" phase 
This is always the lowest-dimensional phase, e.g. surface or edge for
heterogeneous systems.
 2019-03-05 15:03:48 -05:00