Closed yunsiechung closed 2 years ago
@fhvermei I made additional commits. They include:
reference_solvent
, reference_solubility
, and temperature
. For reference_solubility
and temperature
, validate function will check whether they are numeric. A user has an option to select the list of input data to validate.
Hi, I implemented the methods for predicting T-dep solubility using the T-dep Hsolution method. Since this method is only applicable to the solvents in the database and valid temperature ranges, if the calculation cannot be performed, it's skipped and error message is generated. You can check test this by running
calculate_solubility.py
.Some of other changes include:
Could you review and merge this? Thanks!