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Creation of structure_layers table and Updating chemical_data table

Carlos Andres Moreno Velez requested to merge issue-14 into master

Resolves Task #14 (closed) and Task #13 (closed)

Describe the change in few words here

This PR has the creation of a new table called structure_layers, which stores the layers and hashes for all the structures (molfile) using libRDChEBI. Apart from that, this PR has an update of the chemical_data table to remove the NOT NULL constraint in the columns mass, monoisotopic_mass, charge and formula; these properties are calculated using libRDChEBI too, and there are a couple of structures which were not possible get the data. The idea is to put into the chemical_data table these structures as well like NULL. Later on, we are going to check what happens with these strange structures. Finally, this PR has the new no-disperse shape of the chemical_data table.

  • This change has security impacts (if so, add them to the description)
  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
  • This change requires a documentation update

Checklist:

  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation (README, Confluence etc.)
  • My changes generate no new warnings in the build
  • I have added tests that prove my fix is effective or that my feature works
  • My code does not decrease pylint score

Dependencies

  • This Merge Request is dependent on any other Merge Request or configuration or some ticket; please mention here
  • Includes migration
  • Installs new requirement

Post Review

  • Squash and merge feature_branch to staging
  • Delete branch after merge

Additional Description

I have tested this PR locally using an instance of PostgreSQL ChEBI database, I have generated the schema from the Django models and I executed the ETL process to migrate the data from Oracle to my local instance successfully.

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