genui.compounds.migrations package
Submodules
genui.compounds.migrations.0001_initial module
- class genui.compounds.migrations.0001_initial.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('django_rdkit', '0001_setup'), ('projects', '0001_initial'), ('contenttypes', '0002_remove_content_type_name')]
- initial = True
- operations = [<CreateModel name='ActivitySet', fields=[('id', <django.db.models.fields.AutoField>), ('name', <django.db.models.fields.CharField>), ('description', <django.db.models.fields.TextField>), ('created', <django.db.models.fields.DateTimeField>), ('updated', <django.db.models.fields.DateTimeField>)], options={'abstract': False}, bases=(<class 'genui.utils.extensions.tasks.models.TaskShortcutsMixIn'>, <class 'django.db.models.base.Model'>)>, <CreateModel name='ActivityTypes', fields=[('id', <django.db.models.fields.AutoField>), ('value', <django.db.models.fields.CharField>)]>, <CreateModel name='ActivityUnits', fields=[('id', <django.db.models.fields.AutoField>), ('value', <django.db.models.fields.CharField>)]>, <CreateModel name='ChEMBLAssay', fields=[('id', <django.db.models.fields.AutoField>), ('assayID', <django.db.models.fields.CharField>)]>, <CreateModel name='ChEMBLTarget', fields=[('id', <django.db.models.fields.AutoField>), ('targetID', <django.db.models.fields.CharField>)]>, <CreateModel name='Molecule', fields=[('id', <django.db.models.fields.AutoField>), ('canonicalSMILES', <django.db.models.fields.CharField>), ('inchiKey', <django.db.models.fields.CharField>), ('molObject', <django_rdkit.models.fields.MolField>), ('morganFP2', <django_rdkit.models.fields.BfpField>), ('polymorphic_ctype', <django.db.models.fields.related.ForeignKey>)], options={'abstract': False, 'base_manager_name': 'objects'}>, <CreateModel name='MolSet', fields=[('id', <django.db.models.fields.AutoField>), ('name', <django.db.models.fields.CharField>), ('description', <django.db.models.fields.TextField>), ('created', <django.db.models.fields.DateTimeField>), ('updated', <django.db.models.fields.DateTimeField>), ('polymorphic_ctype', <django.db.models.fields.related.ForeignKey>), ('project', <django.db.models.fields.related.ForeignKey>)], options={'abstract': False}, bases=(<class 'genui.utils.extensions.tasks.models.TaskShortcutsMixIn'>, <class 'django.db.models.base.Model'>)>, <CreateModel name='PictureFormat', fields=[('id', <django.db.models.fields.AutoField>), ('extension', <django.db.models.fields.CharField>)]>, <CreateModel name='ChEMBLActivities', fields=[('activityset_ptr', <django.db.models.fields.related.OneToOneField>)], options={'abstract': False}, bases=('compounds.activityset',)>, <CreateModel name='ChEMBLMolecule', fields=[('molecule_ptr', <django.db.models.fields.related.OneToOneField>), ('chemblID', <django.db.models.fields.CharField>)], options={'abstract': False, 'base_manager_name': 'objects'}, bases=('compounds.molecule',)>, <CreateModel name='MoleculePic', fields=[('id', <django.db.models.fields.AutoField>), ('image', <django.db.models.fields.files.ImageField>), ('format', <django.db.models.fields.related.ForeignKey>), ('molecule', <django.db.models.fields.related.ForeignKey>)]>, <AddField model_name='molecule', name='providers', field=<django.db.models.fields.related.ManyToManyField>>, <AddField model_name='activityset', name='molecules', field=<django.db.models.fields.related.ForeignKey>>, <AddField model_name='activityset', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>, <AddField model_name='activityset', name='project', field=<django.db.models.fields.related.ForeignKey>>, <CreateModel name='Activity', fields=[('id', <django.db.models.fields.AutoField>), ('value', <django.db.models.fields.FloatField>), ('molecule', <django.db.models.fields.related.ForeignKey>), ('parent', <django.db.models.fields.related.ForeignKey>), ('polymorphic_ctype', <django.db.models.fields.related.ForeignKey>), ('source', <django.db.models.fields.related.ForeignKey>), ('type', <django.db.models.fields.related.ForeignKey>), ('units', <django.db.models.fields.related.ForeignKey>)], options={'abstract': False, 'base_manager_name': 'objects'}>, <CreateModel name='ChEMBLCompounds', fields=[('molset_ptr', <django.db.models.fields.related.OneToOneField>), ('targets', <django.db.models.fields.related.ManyToManyField>)], options={'abstract': False}, bases=('compounds.molset',)>, <CreateModel name='ChEMBLActivity', fields=[('activity_ptr', <django.db.models.fields.related.OneToOneField>), ('relation', <django.db.models.fields.CharField>), ('comment', <django.db.models.fields.CharField>), ('assay', <django.db.models.fields.related.ForeignKey>), ('target', <django.db.models.fields.related.ForeignKey>)], options={'abstract': False, 'base_manager_name': 'objects'}, bases=('compounds.activity',)>]
genui.compounds.migrations.0002_auto_20200427_2039 module
- class genui.compounds.migrations.0002_auto_20200427_2039.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('qsar', '0001_initial'), ('generators', '0001_initial'), ('maps', '0001_initial'), ('compounds', '0001_initial')]
- operations = [<RemoveField model_name='chemblactivity', name='activity_ptr'>, <RemoveField model_name='chemblactivity', name='assay'>, <RemoveField model_name='chemblactivity', name='target'>, <RemoveField model_name='chemblcompounds', name='molset_ptr'>, <RemoveField model_name='chemblcompounds', name='targets'>, <RemoveField model_name='chemblmolecule', name='molecule_ptr'>, <AlterField model_name='moleculepic', name='image', field=<django.db.models.fields.files.ImageField>>, <DeleteModel name='ChEMBLActivities'>, <DeleteModel name='ChEMBLActivity'>, <DeleteModel name='ChEMBLAssay'>, <DeleteModel name='ChEMBLCompounds'>, <DeleteModel name='ChEMBLMolecule'>, <DeleteModel name='ChEMBLTarget'>]
genui.compounds.migrations.0003_auto_20200512_0817 module
genui.compounds.migrations.0004_molsetfile module
- class genui.compounds.migrations.0004_molsetfile.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('contenttypes', '0002_remove_content_type_name'), ('compounds', '0003_auto_20200512_0817')]
- operations = [<CreateModel name='MolSetFile', fields=[('id', <django.db.models.fields.AutoField>), ('file', <django.db.models.fields.files.FileField>), ('molset', <django.db.models.fields.related.ForeignKey>), ('polymorphic_ctype', <django.db.models.fields.related.ForeignKey>)], options={'abstract': False, 'base_manager_name': 'objects'}>]
genui.compounds.migrations.0005_extract_entity module
- class genui.compounds.migrations.0005_extract_entity.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('compounds', '0004_molsetfile')]
- operations = [<CreateModel name='ChemicalEntity', fields=[('id', <django.db.models.fields.AutoField>), ('canonicalSMILES', <django.db.models.fields.CharField>), ('inchiKey', <django.db.models.fields.CharField>), ('rdMol', <django_rdkit.models.fields.MolField>), ('morganFP', <django_rdkit.models.fields.BfpField>)], options={'unique_together': {('canonicalSMILES', 'inchiKey')}}>, <AddField model_name='molecule', name='entity', field=<django.db.models.fields.related.ForeignKey>, preserve_default=False>, <RunPython <function migrate_entity_info> reverse_code=<function Migration.<lambda>>>, <AlterField model_name='molecule', name='entity', field=<django.db.models.fields.related.ForeignKey>, preserve_default=False>]
genui.compounds.migrations.0006_auto_20200720_0915 module
- class genui.compounds.migrations.0006_auto_20200720_0915.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('compounds', '0005_extract_entity')]
- operations = [<RemoveField model_name='molecule', name='canonicalSMILES'>, <RemoveField model_name='molecule', name='inchiKey'>, <RemoveField model_name='molecule', name='molObject'>, <RemoveField model_name='molecule', name='morganFP2'>]
genui.compounds.migrations.0007_add_inchi module
- class genui.compounds.migrations.0007_add_inchi.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('compounds', '0006_auto_20200720_0915')]
- operations = [<AddField model_name='chemicalentity', name='inchi', field=<django.db.models.fields.CharField>, preserve_default=False>, <RunPython <function generate_inchis> reverse_code=<function Migration.<lambda>>>, <AlterField model_name='chemicalentity', name='inchi', field=<django.db.models.fields.CharField>, preserve_default=False>]
genui.compounds.migrations.0008_auto_20200723_1212 module
genui.compounds.migrations.0009_auto_20200728_1326 module
genui.compounds.migrations.0010_auto_20210428_1426 module
- class genui.compounds.migrations.0010_auto_20210428_1426.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('compounds', '0009_auto_20200728_1326')]
- operations = [<CreateModel name='MolSetExporter', fields=[('id', <django.db.models.fields.AutoField>), ('name', <django.db.models.fields.CharField>), ('classPath', <django.db.models.fields.CharField>)]>, <CreateModel name='MolSetExport', fields=[('id', <django.db.models.fields.AutoField>), ('name', <django.db.models.fields.CharField>), ('description', <django.db.models.fields.TextField>), ('exporter', <django.db.models.fields.related.ForeignKey>), ('molset', <django.db.models.fields.related.ForeignKey>)]>, <AddField model_name='molsetfile', name='export', field=<django.db.models.fields.related.ForeignKey>>]
genui.compounds.migrations.0011_alter_activity_polymorphic_ctype_and_more module
- class genui.compounds.migrations.0011_alter_activity_polymorphic_ctype_and_more.Migration(name, app_label)[source]
Bases:
Migration- dependencies = [('contenttypes', '0002_remove_content_type_name'), ('compounds', '0010_auto_20210428_1426')]
- operations = [<AlterField model_name='activity', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>, <AlterField model_name='activityset', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>, <AlterField model_name='molecule', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>, <AlterField model_name='molset', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>, <AlterField model_name='molsetfile', name='polymorphic_ctype', field=<django.db.models.fields.related.ForeignKey>>]