Closed pauliacomi closed 1 year ago
Whoops, I think I might have broken this when trying to merge. Can you fix this implementation with the newest version of data names?
I'll have a look over weekend, should be just a few tweaks away.
That was a bit of a longer weekend than planned.
I integrated a few changes to the micromeritics parser. Thanks for adding the example files. The other errors were from discrepancies in old AIF files everything was checked against. I regenerated those, with following differences:
_sample_sample_mass
-> _adsnt_sample_mass
)_audit_aif_version
Ar
)quadrasorb station 1
-> QuadraSorb Station 1
)mmHg
instead of Torr
and degC
instead of K
in some cases)Let me know if these changes to the AIF files are acceptable.
thanks for your efforts! I believe these changes are acceptable.
Implemented new
adsorption-file-parser
package into the parser. This should be a drop-in replacement, but it does introduce a few changes in the generated AIFs. The tests give the exact changes where this happens.Summary of changes to code:
conftest.py
can be turned on to re-make all reference files (if the decision was made that changes are ok).adsorption-file-parser
outputs to be identical to the format used in this repo.adsorption-file-parser
.data_
in header.Resulting changes to AIF files:
data_
in header.Finally a few open questions: