Refactor Substance Base Section
We need to do the following changes in nomad.datamodel.metainfo.basesections
-
Separate out Substanceproperties to aSubstanceSectionclass (done in e88365df) -
Move systemproperty fromComponentto newSystemComponentclass (done in 925b5f72) -
Create SubstanceComponentclass with sub section property to nestSubstanceSection(done in 6a9e30a0) -
Add mass_fractionproperty inComponent(done in 5fdbe56f) -
Modify Ensemblenormalizer to use new sub section and property inSubstanceComponent(done in 5a1385d8) -
Separate out CASSubstanceproperties to aCASSubstanceSection(done in 5a1385d8) -
Add substance information toWait for @himanel1result.material.topologies -
Add PubChemSubstanceSectionclass with API call to pub chem (done in 36c66039) -
Add PubChemSubstance(PubChemSubstanceSection)class (done in a208d936) -
Add PubChemSubstanceComponent(done in d67528a0)
Edited by Hampus Naesstroem