Commit graph

11 commits

Author SHA1 Message Date
Ingmar Schoegl
717635d3e6 Add case-sensitive/lowercase logic to Phase::species
Further:
* revert unit tests to previous species definitions (some case mis-matches)
* remove non-essential comments
* opt to maintain case-sensitive species maps with lowercase as fallback
2019-09-23 21:53:06 -04:00
Ingmar Schoegl
76dd997692 [Thermo] update unit tests to handle case sensitive species names 2019-09-23 21:53:06 -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
3c978cdff6 [Equil] Deprecate get/setElementPotentials 2018-06-06 11:54:14 -04:00
Ray Speth
f17750e483 Make species names case-preserving instead of case-sensitive
This improves interoperability when working with mechanisms which use differing
conventions for naming species using uppercase or lowercase.
2016-10-13 18:40:03 -04:00
Ray Speth
fb4eece9f8 Use std::unique_ptr instead of raw pointers where appropriate 2015-10-14 18:45:23 -04:00
Ray Speth
bb2d1c0993 [Thermo] Prevent setting thermodynamic state variables to NaN
Throwing an exception when a state variable is being set to NaN transforms some
reactor network integration errors from unrecoverable errors into recoverable
errors.
2015-08-23 17:09:17 -04:00
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 2015-08-02 23:06:16 -04:00
Ray Speth
79461c34e8 [Thermo] Add default value for 'id' argument of 'newPhase' 2014-09-27 00:09:11 +00:00
Ray Speth
09db5a498a [Thermo] Add getMass/MoleFractionsByName functions with thresholds
This makes it easier to set the composition of a phase based on the composition
of another phase with a different set of species. The threshold argument allows
species with negligible concentrations to be skipped.

Deprecate the unused getMoleFractionsByName function that didn't return a
value.
2014-09-18 22:58:59 +00:00
Victor Brunini
e7a24f7acd Unit test ThermoPhase::getElementPotentials and setElementPotentials. 2014-03-06 01:06:25 +00:00