# -*- coding: utf-8 -*-
from __future__ import unicode_literals
import os
from django.db import models
[docs]class Compound(models.Model):
created_at = models.DateTimeField(auto_now_add=True, null=True)
updated_at = models.DateTimeField(auto_now=True, null=True)
inchikey_id = models.CharField(max_length=254, primary_key=True)
name = models.TextField(blank=False, null=False)
systematic_name = models.TextField(blank=True, null=True)
iupac_name = models.TextField(blank=True, null=True)
trade_name = models.TextField(blank=True, null=True)
other_names = models.TextField(blank=True, null=True)
molecular_formula = models.TextField(blank=True, null=True)
smiles = models.TextField(blank=True, null=True)
pubchem_id = models.TextField(blank=True, null=True)
chemspider_id = models.TextField(blank=True, null=True)
kegg_id = models.TextField(blank=True, null=True)
hmdb_id = models.TextField(blank=True, null=True)
lmdb_id = models.TextField(blank=True, null=True)
lbdb_id = models.TextField(blank=True, null=True)
humancyc_id = models.TextField(blank=True, null=True)
chebi_id = models.TextField(blank=True, null=True)
metlin_id = models.TextField(blank=True, null=True)
foodb_id = models.TextField(blank=True, null=True)
monoisotopic_mass = models.FloatField(blank=True, null=True)
exact_mass = models.FloatField(blank=True, null=True)
molecular_weight = models.FloatField(max_length=100, blank=True, null=True)
xlogp = models.FloatField(null=True, blank=True)
category = models.TextField(blank=True, null=True)
compound_class = models.TextField(blank=True, null=True)
sub_class = models.TextField(blank=True, null=True)
FA = models.TextField(blank=True, null=True) # potential to use for LipidSearch
brite = models.TextField(blank=True, null=True) # KEGG brite information
def __str__(self): # __unicode__ on Python 2
return self.name