Commit graph

324 commits

Author SHA1 Message Date
Ingmar Schoegl
1cc87f4372 [Base] introduce warn_user 2019-11-10 22:56:20 -05:00
Ingmar Schoegl
91c7bf14d7 [Base] finalize introduction of Solution object in C++ layer 2019-11-08 15:12:36 -05:00
Ingmar Schoegl
2a9554c134 [Base] consolidate shared_ptr access in Solution 2019-11-08 15:12:36 -05:00
Ingmar Schoegl
40ae5b5fb5 [Base] implement initialization of C++ Solution from input files
- implement constructor that loads ThermoPhase, Kinetics, and Transport
from input files (wrapping factory class methods)
- logic for selection of transport manager follows Python object
- add convenience methods to type-cast frequently used classes
2019-11-08 15:12:36 -05:00
Ingmar Schoegl
6e5d45273a [Thermo] replace 'phase_id' by 'name'
* 'name' corresponds to the YAML entry
* rename Solution keyword 'phaseid' to 'name' (instead of 'phase_id')
* rename ck2yaml argument '--id' to '--name' (instead of '--phase-id')
* ensure that C++ Phase::m_id is always the same as Phase::m_name
2019-10-23 13:45:29 -04:00
Ingmar Schoegl
5928d63746 [Thermo] address discussion and review comments
* rename C++ object to 'Solution' (from 'SolutionBase')
* remove 'phaseID' from 'Solution' ('id' remains assigned to 'Phase')
* remove 'type' from C++ object (no polymorphism anticipated)
* assign 'name' to 'Solution' (link back from 'Phase' until deprecated)
* clarify 'phase' as 'phase_id' in Python interface
* address various feedback in review comments
2019-10-23 13:45:29 -04:00
Ingmar Schoegl
3bf09fbd7f [Base] rename Base.h/.cpp to SolutionBase.h/.cpp 2019-10-23 13:45:29 -04:00
Ingmar Schoegl
dbac2fc79c [Base] replace Solution property ID by phase in Python
* Clarifies the meaning of ID
* Creates a PEP8 compliant attribute that does not conflict with
a built-in function name that is also consistent with the YAML entry.
* Change associated member function names in C++ SolutionBase
* Deprecate `ID` in Python (to be removed after Cantera 2.5)
2019-10-23 13:45:29 -04:00
Ingmar Schoegl
f71954ac96 [Base] associate phase ID with SolutionBase object 2019-10-23 13:45:29 -04:00
Ingmar Schoegl
799ef81518 [Base] link managers back to SolutionBase 2019-10-23 13:45:29 -04:00
Ingmar Schoegl
afd36b1c1e [Base] create SolutionBase object in C++
* Add Base.h/Base.cpp with definition of SolutionBase
* Link C++ object into Cython interface
* Add unique_name and type attributes to Cython _SolutionBase
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
band-a-prend
5184ebccba Fix "catching polymorphic type" GCC 8 warnings
The "catching polymorphic type" warnings appear during compilation with GCC 8:

src/base/global.cpp: In function ‘void Cantera::setLogger(Cantera::Logger*)’:
src/base/global.cpp:28:19: warning: catching polymorphic type ‘class std::bad_alloc’ by value [-Wcatch-value=]
     } catch (std::bad_alloc) {
                   ^~~~~~~~~

src/equil/vcs_MultiPhaseEquil.cpp: In member function ‘int Cantera::vcs_MultiPhaseEquil::equilibrate_HP(doublereal, int, double, double, int, int, doublereal, int, int)’:
src/equil/vcs_MultiPhaseEquil.cpp:228:31: warning: catching polymorphic type ‘class Cantera::CanteraError’ by value [-Wcatch-value=]
         } catch (CanteraError err) {
                               ^~~

src/equil/vcs_MultiPhaseEquil.cpp: In member function ‘int Cantera::vcs_MultiPhaseEquil::equilibrate_SP(doublereal, double, double, int, int, doublereal, int, int)’:
src/equil/vcs_MultiPhaseEquil.cpp:354:31: warning: catching polymorphic type ‘class Cantera::CanteraError’ by value [-Wcatch-value=]
         } catch (CanteraError err) {
                               ^~~

This commit fix this warnings via caught by reference.
2019-08-10 15:07:44 -04:00
Ray Speth
dced8fbcad [Test] Make testing of deprecated methods possible
Fatal deprecation warnings are useful for identifying inadvertent use of
deprecated features. However, we still want to retain tests of deprecated
features until those features are removed.
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
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
9e98aef969 [Input] Create RedlichKwongMFTP 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
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
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
a5bf674419 [Input] Cache parsed YAML files to speed up repeated reads 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
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
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
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
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
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
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
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