class Reactant(models.Model):
"""Add class docstring"""
Name = CICharField(
max_length=150,
unique=True,
)
Description = models.TextField()
FUNCTIONAL_GROUP = 'FG'
COMPOUND = 'CO'
REACTANT_TYPE_CHOICES = (
('FG', 'Functional Group'),
('CO', 'Compound'),
)
Temp2 = models.CharField(
max_length=2,
choices=REACTANT_TYPE_CHOICES,
default=COMPOUND,
verbose_name='Reactant Type:',
)
def __str__(self):
return self.Name
def get_absolute_url(self):
"""Add method docstring"""
return reverse('Reactant_Detail', kwargs={'pk': self.pk})
class Catalyst(models.Model):
Name = CICharField(
max_length=150,
unique=True,
)
Description = models.TextField()
def __str__(self):
return self.Name
def get_absolute_url(self):
return reverse('Catalyst_Detail', kwargs={'pk': self.pk})
class Compound(models.Model):
Name = CICharField(
max_length=150,
unique=True,
)
Description = models.TextField()
CasNumber = models.CharField(max_length=10, blank=True)
def __str__(self):
return self.Name
def get_absolute_url(self):
return reverse('Solvent_Detail', kwargs={'pk': self.pk})
class Solvent(models.Model):
"""Add class docstring"""
Name = CICharField(
max_length=150,
unique=True,
)
Description = models.TextField()
def __str__(self):
return self.Name
def get_absolute_url(self):
"""Add method docstring"""
return reverse('Solvent_Detail', kwargs={'pk': self.pk})
class FunctionalGroup(models.Model):
Name = CICharField(max_length=150,
unique=True,
help_text="The name of the functional group.")
Smarts = models.CharField(
max_length=150,
unique=True,
help_text="Structure of the functional group as a SMILES string.")
Image = models.ImageField(upload_to='Images/FunctionalGroups/')
def __str__(self):
return self.Name
def get_absolute_url(self):
return reverse('FunctionalGroup_Detail', kwargs={'pk': self.pk})
class NamedReaction(models.Model):
"""Add class docstring"""
Name = CICharField(max_length=150)
Functional_Group = models.ForeignKey('FunctionalGroup',
on_delete=models.PROTECT)
URL = models.URLField(blank=True)
ReactantA = models.CharField(max_length=150, blank=True)
ReactantB = models.CharField(max_length=150, blank=True)
ReactantC = models.CharField(max_length=150, blank=True)
Reactants = models.ManyToManyField('Reactant', related_name='Reactant')
Product = models.CharField(max_length=150, blank=True)
NONE = 'NA'
HEAT = 'HE'
HEAT_CHOICES = (
('NA', 'None'),
('HE', 'Heat'),
)
Heat = models.CharField(
max_length=2,
choices=HEAT_CHOICES,
default=NONE,
verbose_name='Heated Reaction',
)
ACID = 'AC'
ACID_BASE = 'AB'
BASE = 'BA'
ACID_BASE_CHOICES = (
('AC', 'Acid'),
('AB', 'Acid Or Base'),
('BA', 'Base'),
('NA', 'Not Applicable'),
)
AcidBase = models.CharField(
max_length=2,
choices=ACID_BASE_CHOICES,
default=NONE,
verbose_name='Acid or Base Conditions:',
)
Catalyst = models.ForeignKey(
'Catalyst',
on_delete=models.PROTECT,
)
Solvent = models.ForeignKey(
'Solvent',
on_delete=models.PROTECT,
)
ByProducts = models.ManyToManyField(
'Reactant',
related_name='ByProduct',
blank=True,
verbose_name='Reaction By-Products:',
)
Image = models.ImageField(upload_to='Images/Reactions/')
class Meta:
"""Add class docstring"""
unique_together = ('Functional_Group', 'Name')
def __str__(self):
return self.Name
def get_absolute_url(self):
"""Add method docstring"""
return reverse('NamedReaction_Detail', kwargs={'pk': self.pk})