Refactor backend to use Django's ORM

[mwinokan]

Django ORM

Prototyping on django_orm

• [x] Compound
• [x] Target
• [x] Pose
• [x] CompoundSet
• [x] Test chemicalite import
• [x] Test chemicalite mol population (override save method? Or use custom Expression)
• [x] Test setting and getting of Pose.mol attribute
• [x] Set up test with legacy database
• [x] Finalise models
• [x] Test if targets.features manager allows add/remove methods
• [ ] finish validation
• [x] check for _objects property in _check_relations
• [x] make sure all ReverseManyToOneDescriptors / related names start with a _
• [x] Automatically assign reverse managers on abstract_model
• [x] Add RelatedManager.add() functionality to AbstractQuerySet
• [ ] Update schema diagram
• [ ] Create Product Model
• [x] Add M2M relation between Product <> Reaction
• [ ] use base_manager_name for relatedmanager
• [ ] Custom Price field for Quote
• [ ] #185
• [x] Test all models with example data
• [x] Placeholder classes for ModelSets
• [ ] #181
• [ ] #182
• [ ] Test chemicalite query functions
• [x] Decide if fingerprints need to be in database
• [ ] Override Model.setattr to automatically execute Model.save()
• [ ] Update package requirements
• [ ] Clean up repository
• [ ] Create legacy branch
• [ ] #184

[mwinokan]

• SQLAlchemy most popular
• Django ORM best featureset for migrations and web app, can it be used without Django itself?
• Pony easy to grasp but quite opinionated

comparison blog post

Django ORM without Django

example setup Models docs

import django
from django.conf import settings

settings.configure(
    DATABASES={
        'default': {
            'ENGINE': '<your_engine>',
            'NAME': '<database_name>',
            'HOST': '<hostname_or_ip>',
            'PORT': '<port>',
            'USER': '<user>',
            'PASSWORD': '<super_secret_password>',   
        }
    },
    INSTALLED_APPS=[
        '<your_app>',
    ]
)
django.setup()