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test.py
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test.py
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import getopt
import os
import random
import sys
import pandas as pd
from py2neo import Node, Relationship
from py2neo.database import Transaction
from tqdm import tqdm
from connection import populate_db
from constants import ENCODING, DATA_DIR
# def main():
# tx = populate_db("testReln")
# #tx.deleteall('proxitest')
# protacdb_df = pd.read_csv(
# os.path.join(DATA_DIR, "protacDB.csv"),
# usecols=[
# "Compound ID", "Uniprot", "Target", "E3 ligase", "Name", "Smiles",
# "DC50 (nM)", "Dmax (%)", "Assay (DC50/Dmax)", "Percent degradation (%)",
# "Assay (Percent degradation)", "Article DOI", "Molecular Weight",
# "Exact Mass", "logP", "logS", "Heavy Atom Count", "Ring Count",
# "Hydrogen Bond Acceptor Count", "Hydrogen Bond Donor Count",
# "Rotatable Bond Count", "Topological Polar Surface Area", "Molecular Formula",
# "InChI", "InChI Key"
# ],
# dtype=str,
# encoding=ENCODING
# )
# # pd.set_option("display.max_columns", None)
# nodes_dict = add_nodes(tx=tx, protacdb_df=protacdb_df)
# tx.commit()
# #return(protacdb_df)
c = ("a","b")
print(c)
print(c[1])