Quoting

Attention

It is now generally recommended to obtain a snapshot of the entire Enamine catalogue using one of the following links and not relying on the Pycule implementation in this module:

• Global catalogue delivery from Kyiv, Ukraine, in 7-10 business days

• EU stock delivery from Riga, Latvia, in 1-2 business days

class hippo.pycule.Quoter(supplier: str, username: str = None, password: str = None, token: str = None)

Class to scrape catalogue data

Currently ‘Enamine’ and ‘MCule’ are supported. Once initialised

self(compound)

Get quotes for a compound

get_batch_quote(compounds, **kwargs)

Get quotes for a compound set

Parameters:

compounds –

get_enamine_batch_quote(compounds, currency='USD', catalogues=None, exact=False, forms=False, analogues=False, equivalents=False)

Parameters:

• compounds –

• currency – (Default value = “USD”)

• catalogues – (Default value = None)

• exact – (Default value = False)

• forms – (Default value = False)

• analogues – (Default value = False)

• equivalents – (Default value = False)

get_enamine_quote(compound, currency='USD')

Parameters:

• compound –

• currency – (Default value = “USD”)

get_mcule_batch_quote(compounds)

Parameters:

compounds –

get_mcule_quote(compound, exact=False)

Parameters:

• compound –

• exact – (Default value = False)

get_quote(compound, **kwargs)

Get quotes for a compound

Parameters:

compound –

parse_enamine_bulk_products(db, products)

Parameters:

• db –

• products –

parse_enamine_delivery_string(string)

Parameters:

string –

parse_enamine_pack(compound, entry, purity, catalogue, pack, lead_time, smiles)

Parameters:

• compound –

• entry –

• purity –

• catalogue –

• pack –

• lead_time –

• smiles –

parse_enamine_response(result, compound, catalogue)

Parameters:

• result –

• compound –

• catalogue –

parse_mcule_pack(db, compound, entry, pack, smiles, commit=True)

Parameters:

• db –

• compound –

• entry –

• pack –

• smiles –

• commit – (Default value = True)

pick_enamine_data(comp_id, data)

Parameters:

• comp_id –

• data –

pick_enamine_exact_data(smiles, data)

Parameters:

• smiles –

• data –

class hippo.quote.Quote(db: Database, id: int, compound: int, smiles: str, supplier: str, catalogue: str, entry: str, amount: float, price: float, currency: str, purity: float, lead_time: int, date: str | None = None, type: str | None = None)

Supplier quote for a specific quantity of a Compound.

Attention

Quote objects should not be created directly. Instead use Compound.get_quotes().

repr(self) → str

ANSI Formatted string representation

str(self)

Unformatted string representation

property amount: float

Amount in mg

property catalogue: str | None

Name of the catalogue

classmethod combination(required_amount: float, quotes: list[Quote]) → Quote

Combine a list of quotes into one Quote object.

• Start with biggest pack

• Estimate by scaling linearly with unit price

Parameters:

• required_amount – amount in mg

• quotes – list of quotes to be combined

property compound: int

Returns the associated Compound

property currency: str

Currency of the associated Price object

property currency_symbol: str

Currency symbol of the associated Price

property date: str

Date the quote was registered to the database

property db: Database

Returns a pointer to the parent database

property dict: dict

Dictionary representation of this quote

property entry: str

Name/ID of the catalogue entry

property entry_str: str

Unformatted string including the supplier, catalogue (if available), and entry name of the quote

property id: int

Returns the quote’s database ID

property lead_time: float

Lead time in days

property price: Price

Price

property purity: float

Purity fraction

property smiles: str

Returns the catalogue SMILES string

property supplier: str

Name of the supplier

property type: str

Description of this quote

class hippo.price.Price(amount, currency)

Class to represent a certain amount of currency. Supported currencies:

CURRENCIES = {
        'USD':'$',
        'EUR':'€',
        'GBP':'£',
}

self + other: Price → Price

Add two Price objects

Parameters:

other – Price object

Returns:

Price object

self == other: Price → bool

Compare two Price objects

self > other: Price → bool

Compare two Price objects

self < other: Price → bool

Compare two Price objects

self * other: Price | float | int → Price | float

Multiply this Price by another object

Parameters:

other – Price or float or int

Returns:

Price object or float

repr(self) → str

ANSI Formatted string representation

str(self) → str

Unformatted string representation

self / other: Price | float | int → Price | float

Divide this Price by another object

Parameters:

other – Price or float or int

Returns:

Price object or float

property amount: float

Amount

copy() → Price

Return a copy of this Price

property currency: str

Currency string

classmethod from_dict(d: dict) → Price

Create a Price object from a dictionary:

dict(amount: float, currency: str)

Parameters:

d – dictionary in the above format:

get_dict() → dict

Dictionary in the format:

dict(amount: float, currency: str)

property is_null: bool

Is this Price.null() or zero?

classmethod null() → Price

Zero in any currency

property symbol: str

Currency symbol