ChemBDDB: Python Module¶
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chembddb.chembddb.connect()¶ establishes mysql connection based on the credentials provided during setup
- Returns
cur – pointer to the MySQL database; used to execute all SQL queries
- Return type
cursor object
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chembddb.chembddb.delete(host='', user='', pw='', db='')¶ Delete a database that was created using chembddb or delete data from one.
- Parameters
host (str default='') – the hostname is the domain name or server name
user (str default='') – the username for mysql
pw (str default='') – the password for mysql
db (str default='') – the name of the database that needs to be set up
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chembddb.chembddb.post_process(sql, from_db)¶ Helper function to post process the results from the database
- Parameters
sql (str) – sql query that was created by the search function
from_db (tuple of tuples) – results from the database
- Returns
data (pandas dataframe) – dataframe containing the processed results ready to be displayed
columns (list of str) – list of formatted and cleaned column names
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chembddb.chembddb.setup(host=- 1, user='', pw='', db='')¶ Function to setup the database with the chembddb schema
- Parameters
host (str default='') – the hostname is the domain name or server name
user (str default='') – the username for mysql
pw (str default='') – the password for mysql
db (str default='') – the name of the database that needs to be set up