diff --git a/ippisite/ippidb/migrations/0001_squashed_0035_auto_20180725_1347.py b/ippisite/ippidb/migrations/0001_squashed_0035_auto_20180725_1347.py
index d799bccb01b154d593c512c1b3cb9778a62da045..c088946f1035b6daf47ebba692790edb7fc8d1ac 100644
--- a/ippisite/ippidb/migrations/0001_squashed_0035_auto_20180725_1347.py
+++ b/ippisite/ippidb/migrations/0001_squashed_0035_auto_20180725_1347.py
@@ -20,116 +20,41 @@ class Migration(migrations.Migration):
name='Bibliography',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('source', models.CharField(choices=[('PM', 'PubMed article'), ('PT', 'Patent')], max_length=2, verbose_name='Bibliographic type')),
+ ('source', models.CharField(choices=[('PM', 'PubMed ID'), ('PT', 'Patent'), ('DO', 'DOI ID')], default='PM', max_length=2, verbose_name='Bibliographic type')),
('id_source', models.CharField(max_length=25, verbose_name='Bibliographic ID')),
('title', models.CharField(max_length=300, verbose_name='Title')),
('journal_name', models.CharField(max_length=50, null=True, verbose_name='Journal name')),
('authors_list', models.CharField(max_length=500, verbose_name='Authors list')),
('biblio_year', models.PositiveSmallIntegerField(verbose_name='Year')),
('cytotox', models.BooleanField(default=False, verbose_name='Cytotoxicity data')),
- ('in_silico', models.BooleanField(default=False, verbose_name='in silico study performed')),
- ('in_vitro', models.BooleanField(default=False, verbose_name='in vitro study performed')),
- ('in_vivo', models.BooleanField(default=False, verbose_name='in vivo study performed')),
- ('in_cellulo', models.BooleanField(default=False, verbose_name='in cellulo study performed')),
- ('pharmacokinetic', models.BooleanField(default=False, verbose_name='pharmacokinetic study performed')),
- ('xray', models.BooleanField(default=False, verbose_name='contains xray data')),
+ ('in_silico', models.BooleanField(default=False, verbose_name='in silico study')),
+ ('in_vitro', models.BooleanField(default=False, verbose_name='in vitro study')),
+ ('in_vivo', models.BooleanField(default=False, verbose_name='in vivo study')),
+ ('in_cellulo', models.BooleanField(default=False, verbose_name='in cellulo study')),
+ ('pharmacokinetic', models.BooleanField(default=False, verbose_name='pharmacokinetic study')),
+ ('xray', models.BooleanField(default=False, verbose_name='X-Ray data')),
],
options={
'verbose_name_plural': 'bibliographies',
},
),
migrations.CreateModel(
- name='Complex',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('copy_nb', models.IntegerField(verbose_name='Number of copies')),
- ],
- ),
- migrations.CreateModel(
- name='Domain',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('pfam_acc', models.CharField(max_length=10, unique=True, verbose_name='Pfam Accession')),
- ('pfam_id', models.CharField(max_length=20, verbose_name='Pfam Family Identifier')),
- ('pfam_description', models.CharField(max_length=100, verbose_name='Pfam Description')),
- ('domain_family', models.CharField(max_length=25, verbose_name='Domain family')),
- ],
- ),
- migrations.CreateModel(
- name='MolecularFunction',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('go_id', models.CharField(max_length=10, unique=True, verbose_name='Gene Ontology ID')),
- ('description', models.CharField(max_length=500, verbose_name='description')),
- ],
- ),
- migrations.CreateModel(
- name='Ppi',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('cc_nb', models.IntegerField(default=1, verbose_name='Number of copies of the complex in the PPI')),
- ('pdb_id', models.CharField(default=1, max_length=4, verbose_name='PDB ID')),
- ('ppi_id', models.IntegerField(default=1, verbose_name='PPI identifier')),
- ],
- ),
- migrations.CreateModel(
- name='Protein',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('uniprot_id', models.CharField(max_length=10, unique=True, verbose_name='Uniprot ID')),
- ('recommended_name_long', models.CharField(max_length=75, verbose_name='Uniprot Recommended Name (long)')),
- ('short_name', models.CharField(max_length=50, verbose_name='Short name')),
- ('gene_name', models.CharField(max_length=30, unique=True, verbose_name='Gene name')),
- ('entry_name', models.CharField(max_length=30, verbose_name='Entry name')),
- ('molecular_functions', models.ManyToManyField(to='ippidb.MolecularFunction')),
- ],
- ),
- migrations.CreateModel(
- name='Taxonomy',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('taxonomy_id', models.DecimalField(decimal_places=0, max_digits=9, unique=True, verbose_name='NCBI TaxID')),
- ('name', models.CharField(max_length=200, verbose_name='Organism name')),
- ],
- options={
- 'verbose_name_plural': 'taxonomies',
- },
- ),
- migrations.AddField(
- model_name='protein',
- name='organism',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Taxonomy'),
- ),
- migrations.AddField(
- model_name='complex',
- name='protein_id',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Protein'),
- ),
- migrations.CreateModel(
- name='Disease',
+ name='CellLine',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('name', models.CharField(default=None, max_length=30, unique=True, verbose_name='Disease')),
+ ('name', models.CharField(max_length=50, unique=True, verbose_name='Name')),
],
),
- migrations.AlterModelOptions(
- name='complex',
- options={'verbose_name_plural': 'complexes'},
- ),
migrations.CreateModel(
name='Compound',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('canonical_smile', models.CharField(max_length=250, unique=True, verbose_name='Canonical Smile')),
+ ('canonical_smile', models.CharField(max_length=500, unique=True, verbose_name='Canonical Smile')),
('is_macrocycle', models.BooleanField(verbose_name='Contains one or more macrocycles')),
('aromatic_ratio', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='Aromatic ratio')),
('balaban_index', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='Balaban index')),
('fsp3', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='Fsp3')),
- ('dh_Petitjean', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='Dh Petitjean')),
- ('diam_graph_non_h_petitjean', models.IntegerField(verbose_name='Diameter for the molecular graph for heavy atoms (Petitjean)')),
('gc_molar_refractivity', models.DecimalField(decimal_places=2, max_digits=5, verbose_name='GC Molar Refractivity')),
- ('g_petitjean', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='G Petitjean')),
- ('ig_petitjean', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='Ig Petitjean')),
('log_d', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='LogD (Partition coefficient octanol-1/water, with pKa information)')),
('a_log_p', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='ALogP (Partition coefficient octanol-1/water)')),
('mean_atom_vol_vdw', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='Mean atom volume computed with VdW radii')),
@@ -160,230 +85,244 @@ class Migration(migrations.Migration):
('nb_o', models.IntegerField(verbose_name='Number of oxygen atoms')),
('nb_rings', models.IntegerField(verbose_name='Number of rings')),
('nb_rotatable_bonds', models.IntegerField(verbose_name='Number of rotatable bonds')),
- ('radius_graph_non_h_petitjean', models.IntegerField(verbose_name='Radius for the molecular graph for heavy atoms (Petitjean)')),
('randic_index', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='Randic index')),
('rdf070m', models.DecimalField(decimal_places=2, max_digits=5, verbose_name='RDF070m, radial distribution function weighted by the atomic masses at 7Ã…')),
('rotatable_bond_fraction', models.DecimalField(decimal_places=2, max_digits=3, verbose_name='Fraction of rotatable bonds')),
('sum_atom_polar', models.DecimalField(decimal_places=2, max_digits=5, verbose_name='Sum of atomic polarizabilities')),
('sum_atom_vol_vdw', models.DecimalField(decimal_places=2, max_digits=6, verbose_name='Sum of atom volumes computed with VdW radii')),
- ('surface_vdw_petitjean', models.DecimalField(decimal_places=2, max_digits=6, verbose_name='Van der Waals surface area (Petitjean)')),
- ('thickness_petitjean', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='Thickness (Petitjean)')),
('tpsa', models.DecimalField(decimal_places=2, max_digits=5, verbose_name='Topological Polar Surface Area (TPSA)')),
('ui', models.DecimalField(decimal_places=2, max_digits=4, verbose_name='Unsaturation index')),
- ('vol_vdw_petitjean', models.DecimalField(decimal_places=2, max_digits=7, verbose_name='Van der Waals volume (Petitjean)')),
('wiener_index', models.IntegerField(verbose_name='Wiener index')),
('common_name', models.CharField(blank=True, max_length=20, null=True, unique=True, verbose_name='Common name')),
- ('pubchem_id', models.CharField(blank=True, max_length=10, null=True, unique=True, verbose_name='Pubchem ID')),
+ ('pubchem_id', models.CharField(blank=True, max_length=10, null=True, verbose_name='Pubchem ID')),
('chemspider_id', models.CharField(blank=True, max_length=10, null=True, unique=True, verbose_name='Chemspider ID')),
- ('chembl_id', models.CharField(blank=True, max_length=30, null=True, unique=True, verbose_name='Chembl ID')),
- ('iupac_name', models.CharField(blank=True, max_length=255, null=True, unique=True, verbose_name='IUPAC name')),
+ ('chembl_id', models.CharField(blank=True, max_length=30, null=True, verbose_name='Chembl ID')),
+ ('iupac_name', models.CharField(blank=True, max_length=255, null=True, verbose_name='IUPAC name')),
],
),
migrations.CreateModel(
- name='MDDRCompoundActivityClass',
+ name='CompoundAction',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('activity_class', models.CharField(max_length=100, verbose_name='Activity Class')),
+ ('activation_mode', models.CharField(choices=[('O', 'Orthosteric'), ('A', 'Allosteric'), ('U', 'Unspecified')], max_length=1, verbose_name='Activation mode')),
+ ('pdb_id', models.CharField(blank=True, max_length=4, null=True, verbose_name='PDB ID')),
+ ('nb_copy_compounds', models.IntegerField(verbose_name='Number of copies for the compound')),
+ ('compound', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
],
),
migrations.CreateModel(
- name='MDDRCompoundImport',
+ name='CompoundActivityResult',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('mddr_compound_id', models.IntegerField(verbose_name='MDDR compound ID')),
- ('mddr_name', models.CharField(max_length=40, verbose_name='MDDR name')),
- ('dvpmt_phase', models.CharField(max_length=20, verbose_name='Development phase')),
- ('canonical_smile', models.CharField(blank=True, max_length=500, null=True, unique=True, verbose_name='Canonical Smile')),
- ('db_import_date', models.DecimalField(decimal_places=0, max_digits=6, verbose_name='MDDR release year/month')),
+ ('activity_type', models.CharField(choices=[('pIC50', 'pIC50 (half maximal inhibitory concentration, -log10)'), ('pEC50', 'pEC50 (half maximal effective concentration, -log10)'), ('pKd', 'pKd (dissociation constant, -log10)'), ('pKi', 'pKi (inhibition constant, -log10)')], max_length=5, verbose_name='Activity type')),
+ ('activity', models.DecimalField(decimal_places=10, max_digits=12, verbose_name='Activity')),
+ ('inhibition_percentage', models.DecimalField(decimal_places=0, max_digits=3, null=True, verbose_name='Inhibition percentage')),
+ ('modulation_type', models.CharField(choices=[('B', 'Binding'), ('I', 'Inhibition'), ('S', 'Stabilization')], max_length=1, verbose_name='Modulation type')),
+ ('compound', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
],
),
migrations.CreateModel(
- name='MDDRSimilarity',
+ name='CompoundCytotoxicityResult',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('canonical_smile_ippidb', models.CharField(blank=True, max_length=500, null=True, unique=True, verbose_name='Canonical Smile for IPPIDB compound')),
- ('canonical_smile_mddr', models.CharField(blank=True, max_length=500, null=True, unique=True, verbose_name='Canonical Smile for MDDR Compound')),
- ('tanimoto', models.DecimalField(decimal_places=5, max_digits=6, verbose_name='Tanimoto')),
+ ('toxicity', models.BooleanField(default=False, verbose_name='Toxicity')),
+ ('compound', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
],
),
migrations.CreateModel(
- name='ProteinDomainComplex',
+ name='CompoundPKResult',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('ppc_copy_nb', models.IntegerField(verbose_name='Number of copies of the protein in the complex')),
+ ('tolerated', models.NullBooleanField(verbose_name='Tolerated')),
+ ('auc', models.IntegerField(blank=True, null=True, verbose_name='Area under curve (ng.mL-1.hr)')),
+ ('clearance', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Clearance (mL/hr)')),
+ ('c_max', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Maximal concentration (ng/mL)')),
+ ('oral_bioavailability', models.IntegerField(blank=True, null=True, verbose_name='Oral Bioavailability (%F)')),
+ ('t_demi', models.IntegerField(blank=True, null=True, verbose_name='t½')),
+ ('t_max', models.IntegerField(blank=True, null=True, verbose_name='tmax')),
+ ('voldistribution', models.DecimalField(blank=True, decimal_places=2, max_digits=5, null=True, verbose_name='Volume distribution (Vd)')),
+ ('compound', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
],
- options={
- 'verbose_name_plural': 'complexes',
- },
),
migrations.CreateModel(
- name='Symmetry',
+ name='Disease',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('code', models.CharField(max_length=2, verbose_name='Symmetry code')),
- ('description', models.CharField(max_length=300, verbose_name='Description')),
+ ('name', models.CharField(max_length=30, unique=True, verbose_name='Disease')),
+ ],
+ ),
+ migrations.CreateModel(
+ name='Domain',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('pfam_acc', models.CharField(max_length=10, unique=True, verbose_name='Pfam Accession')),
+ ('pfam_id', models.CharField(max_length=20, verbose_name='Pfam Family Identifier')),
+ ('pfam_description', models.CharField(max_length=100, verbose_name='Pfam Description')),
+ ('domain_family', models.CharField(max_length=25, verbose_name='Domain family')),
],
options={
- 'verbose_name_plural': 'symmetries',
+ 'abstract': False,
},
),
- migrations.RemoveField(
- model_name='complex',
- name='protein_id',
+ migrations.CreateModel(
+ name='LeLleBiplotData',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('le_lle_biplot_data', models.CharField(blank=True, max_length=150000, null=True, verbose_name='LE-LLE biplot JSON data')),
+ ],
),
migrations.CreateModel(
- name='ProteinDomainBoundComplex',
+ name='MDDRActivityClass',
fields=[
- ('proteindomaincomplex_ptr', models.OneToOneField(auto_created=True, on_delete=django.db.models.deletion.CASCADE, parent_link=True, primary_key=True, serialize=False, to='ippidb.ProteinDomainComplex')),
- ('ppp_copy_nb_per_p', models.IntegerField(verbose_name='Number of copies of the protein in the pocket')),
- ('pockets_nb', models.IntegerField(verbose_name='Total number of pockets in the complex')),
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('name', models.CharField(max_length=100, unique=True, verbose_name='Activity Class')),
],
options={
- 'verbose_name_plural': 'bound complexes',
+ 'verbose_name_plural': 'MDDR activity classes',
},
- bases=('ippidb.proteindomaincomplex',),
),
migrations.CreateModel(
- name='ProteinDomainPartnerComplex',
+ name='MDDRCompoundImport',
fields=[
- ('proteindomaincomplex_ptr', models.OneToOneField(auto_created=True, on_delete=django.db.models.deletion.CASCADE, parent_link=True, primary_key=True, serialize=False, to='ippidb.ProteinDomainComplex')),
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('mddr_name', models.CharField(max_length=40, verbose_name='MDDR name')),
+ ('dvpmt_phase', models.CharField(choices=[('Biological Testing', ''), ('Preclinical', ''), ('Phase III', ''), ('Phase II', ''), ('Phase I/II', ''), ('Phase I', ''), ('Launched', ''), ('Pre-Registered', ''), ('Not Applicable', ''), ('Discontinued', ''), ('Clinical', ''), ('Withdrawn', ''), ('Registered', ''), ('Not Determined', ''), ('Phase II/III', ''), ('IND Filed', '')], max_length=20, verbose_name='Development phase')),
+ ('canonical_smile', models.CharField(blank=True, max_length=500, null=True, verbose_name='Canonical Smile')),
+ ('db_import_date', models.DateTimeField(verbose_name='MDDR release year/month')),
+ ('activity_classes', models.ManyToManyField(to='ippidb.MDDRActivityClass')),
],
options={
- 'verbose_name_plural': 'partner complexes',
+ 'verbose_name_plural': 'MDDR compound imports',
},
- bases=('ippidb.proteindomaincomplex',),
- ),
- migrations.DeleteModel(
- name='Complex',
- ),
- migrations.AddField(
- model_name='proteindomaincomplex',
- name='domain',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Domain'),
),
- migrations.AddField(
- model_name='proteindomaincomplex',
- name='protein',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Protein'),
- ),
- migrations.AlterUniqueTogether(
- name='mddrsimilarity',
- unique_together=set([('canonical_smile_ippidb', 'canonical_smile_mddr')]),
- ),
- migrations.AlterUniqueTogether(
- name='mddrcompoundimport',
- unique_together=set([('mddr_compound_id', 'mddr_name', 'dvpmt_phase')]),
- ),
- migrations.AddField(
- model_name='mddrcompoundactivityclass',
- name='mddr_compound_id',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.MDDRCompoundImport'),
- ),
- migrations.AddField(
- model_name='compound',
- name='mddr_compound_id',
- field=models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.MDDRCompoundImport'),
- ),
- migrations.AddField(
- model_name='ppi',
- name='complex_id',
- field=models.ForeignKey(default=1, on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainComplex'),
- preserve_default=False,
- ),
- migrations.AddField(
- model_name='ppi',
- name='symmetry_id',
- field=models.ForeignKey(default=1, on_delete=django.db.models.deletion.CASCADE, to='ippidb.Symmetry'),
- preserve_default=False,
+ migrations.CreateModel(
+ name='MDDRSimilarity',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('canonical_smile_ippidb', models.CharField(blank=True, max_length=500, null=True, unique=True, verbose_name='Canonical Smile for IPPIDB compound')),
+ ('canonical_smile_mddr', models.CharField(blank=True, max_length=500, null=True, unique=True, verbose_name='Canonical Smile for MDDR Compound')),
+ ('tanimoto', models.DecimalField(decimal_places=5, max_digits=6, verbose_name='Tanimoto')),
+ ],
+ options={
+ 'verbose_name_plural': 'MDDR similarities',
+ },
),
- migrations.AlterUniqueTogether(
- name='mddrcompoundactivityclass',
- unique_together=set([('mddr_compound_id', 'activity_class')]),
+ migrations.CreateModel(
+ name='MolecularFunction',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('go_id', models.CharField(max_length=10, unique=True, verbose_name='Gene Ontology ID')),
+ ('description', models.CharField(max_length=500, verbose_name='description')),
+ ],
+ options={
+ 'abstract': False,
+ },
),
migrations.CreateModel(
- name='CellLine',
+ name='PcaBiplotData',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('name', models.CharField(max_length=50, unique=True, verbose_name='Name')),
+ ('pca_biplot_data', models.CharField(blank=True, max_length=150000, null=True, verbose_name='PCA biplot JSON data')),
],
),
migrations.CreateModel(
- name='TestActivityDescription',
+ name='Ppi',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('test_name', models.CharField(max_length=100, verbose_name='Test name')),
- ('test_type', models.CharField(choices=[('BIOCH', 'Biochemical assay'), ('CELL', 'Cellular assay')], max_length=5, verbose_name='Test type')),
- ('test_modulation_type', models.CharField(choices=[('B', 'Binding'), ('I', 'Inhibition'), ('S', 'Stabilization')], max_length=1, verbose_name='Test modulation type')),
- ('nb_active_compounds', models.IntegerField(verbose_name='Total number of active compounds')),
- ('biblio_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Bibliography')),
- ('cell_line', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.CellLine')),
- ('complex_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainBoundComplex')),
- ('ppi_id', models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.Ppi')),
+ ('pdb_id', models.CharField(max_length=4, null=True, verbose_name='PDB ID')),
+ ('pockets_nb', models.IntegerField(default=1, verbose_name='Total number of pockets in the complex')),
+ ('diseases', models.ManyToManyField(to='ippidb.Disease')),
],
),
- migrations.AlterModelOptions(
- name='mddrcompoundactivityclass',
- options={'verbose_name_plural': 'MDDR compound activity classes'},
+ migrations.CreateModel(
+ name='PpiComplex',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('cc_nb', models.IntegerField(default=1, verbose_name='Number of copies of the complex in the PPI')),
+ ],
+ options={
+ 'verbose_name_plural': 'Ppi complexes',
+ },
),
- migrations.AlterModelOptions(
- name='mddrcompoundimport',
- options={'verbose_name_plural': 'MDDR compound imports'},
+ migrations.CreateModel(
+ name='PpiFamily',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('name', models.CharField(max_length=30, unique=True, verbose_name='Name')),
+ ],
+ options={
+ 'verbose_name_plural': 'PPI Families',
+ },
),
- migrations.AlterModelOptions(
- name='mddrsimilarity',
- options={'verbose_name_plural': 'MDDR similarities'},
+ migrations.CreateModel(
+ name='Protein',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('uniprot_id', models.CharField(max_length=10, unique=True, verbose_name='Uniprot ID')),
+ ('recommended_name_long', models.CharField(max_length=75, verbose_name='Uniprot Recommended Name (long)')),
+ ('short_name', models.CharField(max_length=50, verbose_name='Short name')),
+ ('gene_name', models.CharField(max_length=30, unique=True, verbose_name='Gene name')),
+ ('entry_name', models.CharField(max_length=30, verbose_name='Entry name')),
+ ('molecular_functions', models.ManyToManyField(to='ippidb.MolecularFunction')),
+ ],
+ options={
+ 'abstract': False,
+ },
),
migrations.CreateModel(
- name='ActivityType',
+ name='ProteinDomainComplex',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('name', models.CharField(max_length=50, unique=True, verbose_name='Name')),
+ ('ppc_copy_nb', models.IntegerField(verbose_name='Number of copies of the protein in the complex')),
],
+ options={
+ 'verbose_name_plural': 'complexes',
+ },
),
migrations.CreateModel(
- name='CmpdAction',
+ name='RefCompoundBiblio',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('activation_mode', models.CharField(choices=[('O', 'Orthosteric'), ('A', 'Allosteric')], max_length=1, verbose_name='Activation mode')),
- ('complex_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainBoundComplex')),
- ('compound_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
- ('nb_copy_compounds', models.IntegerField(default=1, verbose_name='Number of copies for the compound')),
- ('pdb_id', models.CharField(default='NA', max_length=4, verbose_name='PDB ID')),
- ('ppi_id', models.ForeignKey(default=1, on_delete=django.db.models.deletion.CASCADE, to='ippidb.Ppi')),
+ ('compound_name', models.CharField(max_length=50, verbose_name='Compound name in the publication')),
+ ('bibliography', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Bibliography')),
+ ('compound', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
],
),
migrations.CreateModel(
- name='CompoundActivityResult',
+ name='Symmetry',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('activity', models.DecimalField(decimal_places=10, max_digits=12, verbose_name='Activity')),
- ('activity_type_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ActivityType')),
- ('compound_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
- ('test_activity_description_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestActivityDescription')),
- ('modulation_type', models.CharField(choices=[('B', 'Binding'), ('I', 'Inhibition'), ('S', 'Stabilization')], default='B', max_length=1, verbose_name='Modulation type')),
+ ('code', models.CharField(max_length=2, verbose_name='Symmetry code')),
+ ('description', models.CharField(max_length=300, verbose_name='Description')),
],
+ options={
+ 'verbose_name_plural': 'symmetries',
+ },
),
migrations.CreateModel(
- name='CompoundCytotoxicityResult',
+ name='Taxonomy',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('toxicity', models.BooleanField(default=False, verbose_name='Toxicity')),
- ('compound_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
+ ('taxonomy_id', models.DecimalField(decimal_places=0, max_digits=9, unique=True, verbose_name='NCBI TaxID')),
+ ('name', models.CharField(max_length=200, verbose_name='Organism name')),
],
+ options={
+ 'verbose_name_plural': 'taxonomies',
+ },
),
migrations.CreateModel(
- name='CompoundPKResult',
+ name='TestActivityDescription',
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('tolerated', models.NullBooleanField(verbose_name='Tolerated')),
- ('auc', models.IntegerField(blank=True, null=True, verbose_name='Area under curve (ng.mL-1.hr)')),
- ('clearance', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Clearance (mL/hr)')),
- ('cmax', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Maximal concentration (ng/mL)')),
- ('oral_bioavailability', models.IntegerField(blank=True, null=True, verbose_name='Oral Bioavailability (%F)')),
- ('t_demi', models.IntegerField(blank=True, null=True, verbose_name='t½')),
- ('t_max', models.IntegerField(blank=True, null=True, verbose_name='tmax')),
- ('voldistribution', models.DecimalField(blank=True, decimal_places=2, max_digits=5, null=True, verbose_name='Volume distribution (Vd)')),
- ('compound_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
+ ('test_name', models.CharField(max_length=100, verbose_name='Test name')),
+ ('is_primary', models.BooleanField(verbose_name='Is primary')),
+ ('protein_bound_construct', models.CharField(blank=True, choices=[('F', 'Full length'), ('U', 'Unspecified')], max_length=5, null=True, verbose_name='Protein bound construct')),
+ ('test_type', models.CharField(choices=[('BIOCH', 'Biochemical assay'), ('CELL', 'Cellular assay')], max_length=5, verbose_name='Test type')),
+ ('test_modulation_type', models.CharField(choices=[('B', 'Binding'), ('I', 'Inhibition'), ('S', 'Stabilization')], max_length=1, verbose_name='Test modulation type')),
+ ('nb_active_compounds', models.IntegerField(verbose_name='Total number of active compounds')),
+ ('biblio', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Bibliography')),
+ ('cell_line', models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.CellLine')),
+ ('ppi', models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.Ppi')),
],
),
migrations.CreateModel(
@@ -401,440 +340,126 @@ class Migration(migrations.Migration):
fields=[
('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
('test_name', models.CharField(max_length=100, verbose_name='Pharmacokinetic test name')),
+ ('administration_mode', models.CharField(blank=True, choices=[('IV', ''), ('PO', ''), ('IP', ''), ('SL', 'SL')], max_length=2, null=True, verbose_name='Administration mode')),
+ ('concentration', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Concentration in mg/l')),
('dose', models.DecimalField(blank=True, decimal_places=4, max_digits=9, null=True, verbose_name='Dose in mg/kg')),
('dose_interval', models.IntegerField(blank=True, null=True, verbose_name='Dose interval, in hours')),
- ('administration_mode', models.CharField(blank=True, choices=[('IV', ''), ('PO', ''), ('IP', ''), ('SL', 'SL')], max_length=2, null=True, verbose_name='Administration mode')),
('biblio', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Bibliography')),
('organism', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Taxonomy')),
- ('concentration', models.DecimalField(blank=True, decimal_places=3, max_digits=7, null=True, verbose_name='Concentration in mg/l')),
],
),
- migrations.AddField(
- model_name='compoundpkresult',
- name='test_pk_description_id',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestPKDescription'),
- ),
- migrations.AddField(
- model_name='compoundcytotoxicityresult',
- name='test_cytotoxicity_description_id',
- field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestCytotoxDescription'),
- ),
- migrations.AlterUniqueTogether(
- name='compoundpkresult',
- unique_together=set([('compound_id', 'test_pk_description_id')]),
- ),
- migrations.AlterUniqueTogether(
- name='compoundcytotoxicityresult',
- unique_together=set([('compound_id', 'test_cytotoxicity_description_id')]),
- ),
- migrations.AlterUniqueTogether(
- name='compoundactivityresult',
- unique_together=set([('compound_id', 'test_activity_description_id', 'activity_type_id')]),
- ),
migrations.CreateModel(
- name='RefCompoundBiblio',
+ name='ProteinDomainBoundComplex',
fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('compound_name', models.CharField(max_length=50, verbose_name='Compound name in the publication')),
- ('bibliography_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Bibliography')),
- ('compound_id', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Compound')),
+ ('proteindomaincomplex_ptr', models.OneToOneField(auto_created=True, on_delete=django.db.models.deletion.CASCADE, parent_link=True, primary_key=True, serialize=False, to='ippidb.ProteinDomainComplex')),
+ ('ppp_copy_nb_per_p', models.IntegerField(verbose_name='Number of copies of the protein in the pocket')),
],
- ),
- migrations.AlterUniqueTogether(
- name='cmpdaction',
- unique_together=set([('complex_id', 'compound_id', 'pdb_id')]),
- ),
- migrations.AlterUniqueTogether(
- name='refcompoundbiblio',
- unique_together=set([('compound_id', 'bibliography_id')]),
- ),
- migrations.RenameField(
- model_name='cmpdaction',
- old_name='complex_id',
- new_name='complex',
- ),
- migrations.RenameField(
- model_name='cmpdaction',
- old_name='compound_id',
- new_name='compound',
- ),
- migrations.RenameField(
- model_name='cmpdaction',
- old_name='ppi_id',
- new_name='ppi',
- ),
- migrations.RenameField(
- model_name='compound',
- old_name='mddr_compound_id',
- new_name='mddr_compound',
- ),
- migrations.RenameField(
- model_name='compoundactivityresult',
- old_name='activity_type_id',
- new_name='activity_type',
- ),
- migrations.RenameField(
- model_name='compoundactivityresult',
- old_name='compound_id',
- new_name='compound',
- ),
- migrations.RenameField(
- model_name='compoundactivityresult',
- old_name='test_activity_description_id',
- new_name='test_activity_description',
- ),
- migrations.RenameField(
- model_name='compoundcytotoxicityresult',
- old_name='compound_id',
- new_name='compound',
- ),
- migrations.RenameField(
- model_name='compoundcytotoxicityresult',
- old_name='test_cytotoxicity_description_id',
- new_name='test_cytotoxicity_description',
- ),
- migrations.RenameField(
- model_name='compoundpkresult',
- old_name='compound_id',
- new_name='compound',
- ),
- migrations.RenameField(
- model_name='compoundpkresult',
- old_name='test_pk_description_id',
- new_name='test_pk_description',
- ),
- migrations.RenameField(
- model_name='mddrcompoundactivityclass',
- old_name='mddr_compound_id',
- new_name='mddr_compound',
- ),
- migrations.RenameField(
- model_name='ppi',
- old_name='complex_id',
- new_name='complex',
- ),
- migrations.RenameField(
- model_name='ppi',
- old_name='symmetry_id',
- new_name='symmetry',
- ),
- migrations.RenameField(
- model_name='refcompoundbiblio',
- old_name='bibliography_id',
- new_name='bibliography',
- ),
- migrations.RenameField(
- model_name='refcompoundbiblio',
- old_name='compound_id',
- new_name='compound',
- ),
- migrations.RenameField(
- model_name='testactivitydescription',
- old_name='biblio_id',
- new_name='biblio',
- ),
- migrations.RenameField(
- model_name='testactivitydescription',
- old_name='complex_id',
- new_name='complex',
- ),
- migrations.RenameField(
- model_name='testactivitydescription',
- old_name='ppi_id',
- new_name='ppi',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='dh_Petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='diam_graph_non_h_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='g_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='ig_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='radius_graph_non_h_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='surface_vdw_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='thickness_petitjean',
- ),
- migrations.RemoveField(
- model_name='compound',
- name='vol_vdw_petitjean',
- ),
- migrations.AlterField(
- model_name='compound',
- name='canonical_smile',
- field=models.CharField(max_length=500, unique=True, verbose_name='Canonical Smile'),
- ),
- migrations.RemoveField(
- model_name='cmpdaction',
- name='complex',
- ),
- migrations.AlterUniqueTogether(
- name='cmpdaction',
- unique_together=set([('ppi', 'compound', 'activation_mode', 'pdb_id')]),
- ),
- migrations.AlterUniqueTogether(
- name='compoundactivityresult',
- unique_together=set([('compound', 'test_activity_description', 'activity_type')]),
- ),
- migrations.AlterUniqueTogether(
- name='compoundcytotoxicityresult',
- unique_together=set([('compound', 'test_cytotoxicity_description')]),
- ),
- migrations.RenameField(
- model_name='compoundpkresult',
- old_name='cmax',
- new_name='c_max',
- ),
- migrations.AlterUniqueTogether(
- name='compoundpkresult',
- unique_together=set([('compound', 'test_pk_description')]),
- ),
- migrations.AlterUniqueTogether(
- name='mddrcompoundactivityclass',
- unique_together=set([]),
- ),
- migrations.AlterUniqueTogether(
- name='refcompoundbiblio',
- unique_together=set([('compound', 'bibliography')]),
+ options={
+ 'verbose_name_plural': 'bound complexes',
+ },
+ bases=('ippidb.proteindomaincomplex',),
),
migrations.CreateModel(
- name='PpiComplex',
+ name='ProteinDomainPartnerComplex',
fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('cc_nb', models.IntegerField(default=1, verbose_name='Number of copies of the complex in the PPI')),
- ('complex', models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainComplex')),
+ ('proteindomaincomplex_ptr', models.OneToOneField(auto_created=True, on_delete=django.db.models.deletion.CASCADE, parent_link=True, primary_key=True, serialize=False, to='ippidb.ProteinDomainComplex')),
],
options={
- 'verbose_name_plural': 'Ppi complexes',
+ 'verbose_name_plural': 'partner complexes',
},
+ bases=('ippidb.proteindomaincomplex',),
),
- migrations.RemoveField(
- model_name='ppi',
- name='cc_nb',
+ migrations.AddField(
+ model_name='proteindomaincomplex',
+ name='domain',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Domain'),
),
- migrations.RemoveField(
- model_name='ppi',
- name='complex',
+ migrations.AddField(
+ model_name='proteindomaincomplex',
+ name='protein',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Protein'),
),
- migrations.RemoveField(
- model_name='ppi',
- name='ppi_id',
+ migrations.AddField(
+ model_name='protein',
+ name='organism',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Taxonomy'),
),
- migrations.RemoveField(
- model_name='testactivitydescription',
+ migrations.AddField(
+ model_name='ppicomplex',
name='complex',
- ),
- migrations.AlterField(
- model_name='compoundactivityresult',
- name='activity_type',
- field=models.CharField(choices=[('pIC50', 'pIC50 (half maximal inhibitory concentration, -log10)'), ('pEC50', 'pEC50 (half maximal effective concentration, -log10)'), ('pKd', 'pKd (dissociation constant, -log10)'), ('pKi', 'pKi (inhibition constant, -log10)')], max_length=5, verbose_name='Activity type'),
- ),
- migrations.DeleteModel(
- name='ActivityType',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainComplex'),
),
migrations.AddField(
model_name='ppicomplex',
name='ppi',
field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Ppi'),
),
- migrations.AlterField(
- model_name='ppi',
- name='pdb_id',
- field=models.CharField(max_length=4, null=True, verbose_name='PDB ID'),
- ),
- migrations.RenameModel(
- old_name='CmpdAction',
- new_name='CompoundAction',
- ),
migrations.AddField(
model_name='ppi',
- name='diseases',
- field=models.ManyToManyField(to='ippidb.Disease'),
- ),
- migrations.RemoveField(
- model_name='proteindomainboundcomplex',
- name='pockets_nb',
+ name='family',
+ field=models.ForeignKey(null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.PpiFamily'),
),
migrations.AddField(
model_name='ppi',
- name='pockets_nb',
- field=models.IntegerField(default=1, verbose_name='Total number of pockets in the complex'),
- ),
- migrations.AlterField(
- model_name='compound',
- name='pubchem_id',
- field=models.CharField(blank=True, max_length=10, null=True, verbose_name='Pubchem ID'),
- ),
- migrations.AlterField(
- model_name='compound',
- name='iupac_name',
- field=models.CharField(blank=True, max_length=255, null=True, verbose_name='IUPAC name'),
- ),
- migrations.AlterField(
- model_name='compound',
- name='chembl_id',
- field=models.CharField(blank=True, max_length=30, null=True, verbose_name='Chembl ID'),
- ),
- migrations.CreateModel(
- name='MDDRActivityClass',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('name', models.CharField(max_length=100, unique=True, verbose_name='Activity Class')),
- ],
- options={
- 'verbose_name_plural': 'MDDR activity classes',
- },
- ),
- migrations.RemoveField(
- model_name='mddrcompoundactivityclass',
- name='mddr_compound',
- ),
- migrations.DeleteModel(
- name='MDDRCompoundActivityClass',
- ),
- migrations.AddField(
- model_name='mddrcompoundimport',
- name='activity_classes',
- field=models.ManyToManyField(to='ippidb.MDDRActivityClass'),
- ),
- migrations.AlterField(
- model_name='mddrcompoundimport',
- name='db_import_date',
- field=models.DateTimeField(verbose_name='MDDR release year/month'),
- ),
- migrations.RemoveField(
- model_name='mddrcompoundimport',
- name='mddr_compound_id',
+ name='symmetry',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Symmetry'),
),
migrations.AlterUniqueTogether(
- name='mddrcompoundimport',
- unique_together=set([('mddr_name', 'dvpmt_phase', 'canonical_smile')]),
- ),
- migrations.AlterField(
- model_name='mddrcompoundimport',
- name='canonical_smile',
- field=models.CharField(blank=True, max_length=500, null=True, verbose_name='Canonical Smile'),
+ name='mddrsimilarity',
+ unique_together=set([('canonical_smile_ippidb', 'canonical_smile_mddr')]),
),
- migrations.AlterField(
- model_name='mddrcompoundimport',
- name='dvpmt_phase',
- field=models.CharField(choices=[('Biological Testing', ''), ('Preclinical', ''), ('Phase III', ''), ('Phase II', ''), ('Phase I/II', ''), ('Phase I', ''), ('Launched', ''), ('Pre-Registered', ''), ('Not Applicable', ''), ('Discontinued', ''), ('Clinical', ''), ('Withdrawn', ''), ('Registered', ''), ('Not Determined', ''), ('Phase II/III', ''), ('IND Filed', '')], max_length=20, verbose_name='Development phase'),
+ migrations.AddField(
+ model_name='compoundpkresult',
+ name='test_pk_description',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestPKDescription'),
),
- migrations.AlterField(
- model_name='testactivitydescription',
- name='cell_line',
- field=models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.CellLine'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='in_cellulo',
- field=models.BooleanField(default=False, verbose_name='in cellulo study'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='in_silico',
- field=models.BooleanField(default=False, verbose_name='in silico study'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='in_vitro',
- field=models.BooleanField(default=False, verbose_name='in vitro study'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='in_vivo',
- field=models.BooleanField(default=False, verbose_name='in vivo study'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='pharmacokinetic',
- field=models.BooleanField(default=False, verbose_name='pharmacokinetic study'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='source',
- field=models.CharField(choices=[('PM', 'PubMed ID'), ('PT', 'Patent'), ('DO', 'DOI ID')], default='PM', max_length=2, verbose_name='Bibliographic type'),
- ),
- migrations.AlterField(
- model_name='bibliography',
- name='xray',
- field=models.BooleanField(default=False, verbose_name='X-Ray data'),
- ),
- migrations.AlterField(
- model_name='compoundaction',
- name='activation_mode',
- field=models.CharField(choices=[('O', 'Orthosteric'), ('A', 'Allosteric'), ('U', 'Unspecified')], max_length=1, verbose_name='Activation mode'),
+ migrations.AddField(
+ model_name='compoundcytotoxicityresult',
+ name='test_cytotoxicity_description',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestCytotoxDescription'),
),
- migrations.AlterField(
- model_name='compoundaction',
- name='pdb_id',
- field=models.CharField(blank=True, max_length=4, null=True, verbose_name='PDB ID'),
+ migrations.AddField(
+ model_name='compoundactivityresult',
+ name='test_activity_description',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.TestActivityDescription'),
),
migrations.AddField(
- model_name='testactivitydescription',
- name='is_primary',
- field=models.BooleanField(default=False, verbose_name='Is primary'),
- preserve_default=False,
+ model_name='compoundaction',
+ name='ppi',
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.Ppi'),
),
migrations.AddField(
- model_name='testactivitydescription',
- name='protein_bound_construct',
- field=models.CharField(blank=True, choices=[('F', 'Full length'), ('U', 'Unspecified')], max_length=5, null=True, verbose_name='Protein bound construct'),
+ model_name='compound',
+ name='mddr_compound',
+ field=models.ForeignKey(blank=True, null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.MDDRCompoundImport'),
),
migrations.AddField(
model_name='testactivitydescription',
name='protein_domain_bound_complex',
- field=models.ForeignKey(default=1, on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainBoundComplex'),
- preserve_default=False,
+ field=models.ForeignKey(on_delete=django.db.models.deletion.CASCADE, to='ippidb.ProteinDomainBoundComplex'),
),
- migrations.AddField(
- model_name='compoundactivityresult',
- name='inhibition_percentage',
- field=models.DecimalField(decimal_places=0, max_digits=3, null=True, verbose_name='Inhibition percentage'),
+ migrations.AlterUniqueTogether(
+ name='refcompoundbiblio',
+ unique_together=set([('compound', 'bibliography')]),
),
- migrations.CreateModel(
- name='LeLleBiplotData',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('le_lle_biplot_data', models.CharField(blank=True, max_length=150000, null=True, verbose_name='LE-LLE biplot JSON data')),
- ],
+ migrations.AlterUniqueTogether(
+ name='mddrcompoundimport',
+ unique_together=set([('mddr_name', 'dvpmt_phase', 'canonical_smile')]),
),
- migrations.CreateModel(
- name='PpiFamily',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('name', models.CharField(max_length=30, unique=True, verbose_name='Name')),
- ],
- options={
- 'verbose_name_plural': 'PPI Families',
- },
+ migrations.AlterUniqueTogether(
+ name='compoundpkresult',
+ unique_together=set([('compound', 'test_pk_description')]),
),
- migrations.AddField(
- model_name='ppi',
- name='family',
- field=models.ForeignKey(null=True, on_delete=django.db.models.deletion.CASCADE, to='ippidb.PpiFamily'),
+ migrations.AlterUniqueTogether(
+ name='compoundcytotoxicityresult',
+ unique_together=set([('compound', 'test_cytotoxicity_description')]),
),
- migrations.CreateModel(
- name='PcaBiplotData',
- fields=[
- ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
- ('pca_biplot_data', models.CharField(blank=True, max_length=150000, null=True, verbose_name='PCA biplot JSON data')),
- ],
+ migrations.AlterUniqueTogether(
+ name='compoundactivityresult',
+ unique_together=set([('compound', 'test_activity_description', 'activity_type')]),
+ ),
+ migrations.AlterUniqueTogether(
+ name='compoundaction',
+ unique_together=set([('ppi', 'compound', 'activation_mode', 'pdb_id')]),
),
]