Refactor Substance Base Section

We need to do the following changes in nomad.datamodel.metainfo.basesections

  • Separate out Substance properties to a SubstanceSection class (done in e88365df)
  • Move system property from Component to new SystemComponent class (done in 925b5f72)
  • Create SubstanceComponent class with sub section property to nest SubstanceSection (done in 6a9e30a0)
  • Add mass_fraction property in Component (done in 5fdbe56f)
  • Modify Ensemble normalizer to use new sub section and property in SubstanceComponent (done in 5a1385d8)
  • Separate out CASSubstance properties to a CASSubstanceSection (done in 5a1385d8)
  • Add substance information to result.material.topologies Wait for @himanel1
  • Add PubChemSubstanceSection class with API call to pub chem (done in 36c66039)
  • Add PubChemSubstance(PubChemSubstanceSection) class (done in a208d936)
  • Add PubChemSubstanceComponent (done in d67528a0)
Edited Jul 03, 2023 by Hampus Naesstroem
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