ENH: Generalize phase composition support #35
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Until now we have only tracked liquid phase compositions in
x_liquid
. Now we are tracking phase compositions of all phases. Note that we don't yet support phase multiplicities, so miscibility gaps will give potentially meaningless results.We are keeping
x_liquid
around for now for backwards compatibility, but eventually it should probably be removed and superseded byphase_compositions
(since the liquid phase is in thephase_compositions
dictionary).This change also introduces tracking of the phase composition of the dependent component as well, for convenience.