formating Compound fields and naming attributes of all fields

ippisite/ippidb/models.py

@@ -448,78 +448,206 @@ class Compound(AutoFillableModel):
     """
     objects = CompoundManager()
     canonical_smile = models.TextField(
-        'Canonical Smile', unique=True)
-    is_macrocycle = models.BooleanField('Contains one or more macrocycles')
+        verbose_name='Canonical Smile',
+        unique=True,
+    )
+    is_macrocycle = models.BooleanField(
+        verbose_name='Contains one or more macrocycles',
+    )
     aromatic_ratio = models.DecimalField(
-        'Aromatic ratio', max_digits=3, decimal_places=2)
+        verbose_name='Aromatic ratio',
+        max_digits=3,
+        decimal_places=2,
+    )
     balaban_index = models.DecimalField(
-        'Balaban index', max_digits=3, decimal_places=2)
-    fsp3 = models.DecimalField('Fsp3', max_digits=3, decimal_places=2)
+        verbose_name='Balaban index',
+        max_digits=3,
+        decimal_places=2,
+    )
+    fsp3 = models.DecimalField(
+        verbose_name='Fsp3',
+        max_digits=3,
+        decimal_places=2,
+    )
     gc_molar_refractivity = models.DecimalField(
-        'GC Molar Refractivity', max_digits=5, decimal_places=2)
+        verbose_name='GC Molar Refractivity',
+        max_digits=5,
+        decimal_places=2,
+    )
     log_d = models.DecimalField(
-        'LogD (Partition coefficient octanol-1/water, with pKa information)', max_digits=4, decimal_places=2)
+        verbose_name='LogD (Partition coefficient octanol-1/water, with pKa information)',
+        max_digits=4,
+        decimal_places=2,
+    )
     a_log_p = models.DecimalField(
-        'ALogP (Partition coefficient octanol-1/water)', max_digits=4, decimal_places=2)
+        verbose_name='ALogP (Partition coefficient octanol-1/water)',
+        max_digits=4,
+        decimal_places=2,
+    )
     mean_atom_vol_vdw = models.DecimalField(
-        'Mean atom volume computed with VdW radii', max_digits=4, decimal_places=2)
+        verbose_name='Mean atom volume computed with VdW radii',
+        max_digits=4,
+        decimal_places=2,
+    )
     molecular_weight = models.DecimalField(
-        'Molecular weight', max_digits=6, decimal_places=2)
-    nb_acceptor_h = models.IntegerField('Number of hydrogen bond acceptors')
-    nb_aliphatic_amines = models.IntegerField('Number of aliphatics amines')
-    nb_aromatic_bonds = models.IntegerField('Number of aromatic bonds')
-    nb_aromatic_ether = models.IntegerField('Number of aromatic ethers')
+        verbose_name='Molecular weight',
+        max_digits=6,
+        decimal_places=2,
+    )
+    nb_acceptor_h = models.IntegerField(
+        verbose_name='Number of hydrogen bond acceptors',
+    )
+    nb_aliphatic_amines = models.IntegerField(
+        verbose_name='Number of aliphatics amines',
+    )
+    nb_aromatic_bonds = models.IntegerField(
+        verbose_name='Number of aromatic bonds',
+    )
+    nb_aromatic_ether = models.IntegerField(
+        verbose_name='Number of aromatic ethers',
+    )
     nb_aromatic_sssr = models.IntegerField(
-        'Number of aromatic Smallest Set of System Rings (SSSR)')
-    nb_atom = models.IntegerField('Number of atoms')
-    nb_atom_non_h = models.IntegerField('Number of non hydrogen atoms')
-    nb_benzene_like_rings = models.IntegerField('Number of benzene-like rings')
-    nb_bonds = models.IntegerField('Number of bonds')
+        verbose_name='Number of aromatic Smallest Set of System Rings (SSSR)',
+    )
+    nb_atom = models.IntegerField(
+        verbose_name='Number of atoms',
+    )
+    nb_atom_non_h = models.IntegerField(
+        verbose_name='Number of non hydrogen atoms',
+    )
+    nb_benzene_like_rings = models.IntegerField(
+        verbose_name='Number of benzene-like rings',
+    )
+    nb_bonds = models.IntegerField(
+        verbose_name='Number of bonds',
+    )
     nb_bonds_non_h = models.IntegerField(
-        'Number of bonds not involving a hydrogen')
-    nb_br = models.IntegerField('Number of Bromine atoms')
-    nb_c = models.IntegerField('Number of Carbon atoms')
-    nb_chiral_centers = models.IntegerField('Number of chiral centers')
-    nb_circuits = models.IntegerField('Number of circuits')
-    nb_cl = models.IntegerField('Number of Chlorine atoms')
-    nb_csp2 = models.IntegerField('Number of sp2-hybridized carbon atoms')
-    nb_csp3 = models.IntegerField('Number of sp3-hybridized carbon atoms')
-    nb_donor_h = models.IntegerField('Number of hydrogen bond donors')
-    nb_double_bonds = models.IntegerField('Number of double bonds')
-    nb_f = models.IntegerField('Number of fluorine atoms')
-    nb_i = models.IntegerField('Number of iodine atoms')
-    nb_multiple_bonds = models.IntegerField('Number of multiple bonds')
-    nb_n = models.IntegerField('Number of nitrogen atoms')
-    nb_o = models.IntegerField('Number of oxygen atoms')
-    nb_rings = models.IntegerField('Number of rings')
-    nb_rotatable_bonds = models.IntegerField('Number of rotatable bonds')
-    inchi = models.TextField('InChi')
-    inchikey = models.TextField('InChiKey')
+        verbose_name='Number of bonds not involving a hydrogen',
+    )
+    nb_br = models.IntegerField(
+        verbose_name='Number of Bromine atoms',
+    )
+    nb_c = models.IntegerField(
+        verbose_name='Number of Carbon atoms',
+    )
+    nb_chiral_centers = models.IntegerField(
+        verbose_name='Number of chiral centers',
+    )
+    nb_circuits = models.IntegerField(
+        verbose_name='Number of circuits',
+    )
+    nb_cl = models.IntegerField(
+        verbose_name='Number of Chlorine atoms',
+    )
+    nb_csp2 = models.IntegerField(
+        verbose_name='Number of sp2-hybridized carbon atoms',
+    )
+    nb_csp3 = models.IntegerField(
+        verbose_name='Number of sp3-hybridized carbon atoms',
+    )
+    nb_donor_h = models.IntegerField(
+        verbose_name='Number of hydrogen bond donors',
+    )
+    nb_double_bonds = models.IntegerField(
+        verbose_name='Number of double bonds',
+    )
+    nb_f = models.IntegerField(
+        verbose_name='Number of fluorine atoms',
+    )
+    nb_i = models.IntegerField(
+        verbose_name='Number of iodine atoms',
+    )
+    nb_multiple_bonds = models.IntegerField(
+        verbose_name='Number of multiple bonds',
+    )
+    nb_n = models.IntegerField(
+        verbose_name='Number of nitrogen atoms',
+    )
+    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',
+    )
+    inchi = models.TextField(
+        verbose_name='InChi',
+    )
+    inchikey = models.TextField(
+        verbose_name='InChiKey',
+    )
     randic_index = models.DecimalField(
-        'Randic index', max_digits=4, decimal_places=2)
+        verbose_name='Randic index',
+        max_digits=4,
+        decimal_places=2,
+    )
     rdf070m = models.DecimalField(
-        'RDF070m, radial distribution function weighted by the atomic masses at 7Å', max_digits=5, decimal_places=2)
+        verbose_name='RDF070m, radial distribution function weighted by the atomic masses at 7Å',
+        max_digits=5,
+        decimal_places=2,
+    )
     rotatable_bond_fraction = models.DecimalField(
-        'Fraction of rotatable bonds', max_digits=3, decimal_places=2)
+        verbose_name='Fraction of rotatable bonds',
+        max_digits=3,
+        decimal_places=2,
+    )
     sum_atom_polar = models.DecimalField(
-        'Sum of atomic polarizabilities', max_digits=5, decimal_places=2)
+        verbose_name='Sum of atomic polarizabilities',
+        max_digits=5,
+        decimal_places=2,
+    )
     sum_atom_vol_vdw = models.DecimalField(
-        'Sum of atom volumes computed with VdW radii', max_digits=6, decimal_places=2)
+        verbose_name='Sum of atom volumes computed with VdW radii',
+        max_digits=6,
+        decimal_places=2,
+    )
     tpsa = models.DecimalField(
-        'Topological Polar Surface Area (TPSA)', max_digits=5, decimal_places=2)
+        verbose_name='Topological Polar Surface Area (TPSA)',
+        max_digits=5,
+        decimal_places=2,
+    )
     ui = models.DecimalField(
-        'Unsaturation index', max_digits=4, decimal_places=2)
-    wiener_index = models.IntegerField('Wiener index')
+        verbose_name='Unsaturation index',
+        max_digits=4,
+        decimal_places=2,
+    )
+    wiener_index = models.IntegerField(
+        verbose_name='Wiener index',
+    )
     common_name = models.CharField(
-        'Common name', unique=True, max_length=20, blank=True, null=True)
+        verbose_name='Common name',
+        unique=True,
+        max_length=20,
+        blank=True,
+        null=True,
+    )
     pubchem_id = models.CharField(
-        'Pubchem ID', max_length=10, blank=True, null=True)
+        verbose_name='Pubchem ID',
+        max_length=10,
+        blank=True,
+        null=True,
+    )
     chemspider_id = models.CharField(
-        'Chemspider ID', unique=True, max_length=10, blank=True, null=True)
+        verbose_name='Chemspider ID',
+        unique=True,
+        max_length=10,
+        blank=True,
+        null=True,
+    )
     chembl_id = models.CharField(
-        'Chembl ID', max_length=30, blank=True, null=True)
+        verbose_name='Chembl ID',
+        max_length=30,
+        blank=True,
+        null=True,
+    )
     iupac_name = models.CharField(
-        'IUPAC name', max_length=255, blank=True, null=True)
+        verbose_name='IUPAC name',
+        max_length=255,
+        blank=True,
+        null=True,
+    )
 
     class Meta:
         ordering = ['id']