matteoferla

# ## log-in
pwd ='👾👾👾'
base_url = 'http://👾.👾.👾.👾'  # my router's DNS does not resolve hyphens `ws-gateway.local`

import base64
import requests

sesh = requests.session()
sesh.get(f'{base_url}/login.html')
response : requests.Response = sesh.post(f'{base_url}/set_login_info', {'pwd': base64.b64encode(pwd.encode())})

matteoferla

matteoferla

import requests

class DownloadEnamine:
    """
    This class is set up to download Enamine REAL database on a remote machine.
    Instatiation requires plain ``username`` and ``password``.
    
    .. code-block::python
        de = DownloadEnamine('foo.bar@baz.ac.uk', 'Foo123')
        de.download_all('REAL')

matteoferla

root = Path.home() / '👾👾👾'
reponame = '👾👾👾'

import os
import re
import sys
from pathlib import Path

import_lines = set()
for path in (root / reponame).glob('**/*.py'):

matteoferla

from collections import defaultdict
import requests, json, operator
from typing import List, Optional
import random

class NameGen:
    """Super simple name genarator by Markov chain.
    There are tons on the internet —dissociated press game.
    It is so easy to write I made one rather than search...
    """

matteoferla

matteoferla

import os
from pathlib import Path
from typing import Union

def fix_links(original: Union[Path, str], new: Union[Path, str]) -> int:
    """
    Say you did ``cp -r foo bar`` the absolute symlinks will still point to the old.
    This fixes it by "relinking" to the new position.
    There may be a bash codefu move to do this.
    

matteoferla

In PyMOL in Python (as a package, i.e. pymol2), the autocomplete for pymol2.PyMOL().cmd does not work. So I keep having to check what is present in the original pymol.

• ALL_STATES
• CURRENT_STATE
• DEFAULT_ERROR
• DEFAULT_SUCCESS
• LockCM
• QuietException
• SafeEvalNS

matteoferla

from typing import List
import os
from rdkit import Chem

def make_fauxalysis(hits: List[Chem.Mol], target_name: str, base_folder='.') -> None:
    """
    Given a list of hits, make a fragalysis-download-like folder structure

    :param hits:
    :param target_name:

matteoferla

from typing import TypedDict, Dict, Any, Union, List
import requests
from rdkit.Chem import Draw
from IPython.display import display, HTML
from rdkit.Chem import rdChemReactions as reactions


class RxnInfo(TypedDict):
    name: str
    reactantSmiles: str