sqlite3

sqlite3_examples/README.md

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+sqlite3_examples
+================
+
+Syntax examples for working with SQLite databases via the sqlite3 module in Python

sqlite3_examples/create_db.py

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+# 10/28/2013 Sebastian Raschka
+# Syntax basics for creating sqlite3 data bases
+
+import sqlite3
+
+# create new db and make connection
+conn = sqlite3.connect('zinc_db1.db')    
+c = conn.cursor()
+
+# create table
+c.execute('''CREATE TABLE zinc_db1
+             (zinc_id TEXT, purchasable TEXT, non_rot_bonds INT)''')
+
+# Insert one row of data
+c.execute("INSERT INTO zinc_db1 VALUES ('ZINC00895032','YES', 4)")
+
+# Insert multiple lines of data
+multi_lines =[ ('ZINC00895033','YES', 1),
+	       ('ZINC00895034','NO', 0),
+	       ('ZINC00895035','YES', 3),
+	       ('ZINC00895036','YES', 9),
+	       ('ZINC00895037','YES', 10) 
+	      ]
+c.executemany('INSERT INTO zinc_db1 VALUES (?,?,?)', multi_lines)
+
+# Save (commit) the changes
+conn.commit()
+
+# close connection
+conn.close()

sqlite3_examples/query_db.py

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+# 10/28/2013 Sebastian Raschka
+# Syntax basics for querying sqlite3 data bases
+
+import sqlite3
+
+# open existing database
+conn = sqlite3.connect('zinc_db1.db')    
+c = conn.cursor()
+
+# print all lines ordered by number of non_rot_bonds
+for row in c.execute('SELECT * FROM zinc_db1 ORDER BY non_rot_bonds'):
+    print row
+
+# print all lines that are purchasable and have <= 7 rotatable bonds
+t = ('YES',7,)
+for row in c.execute('SELECT * FROM zinc_db1 WHERE purchasable=? AND non_rot_bonds <= ?', t):
+	print row
+
+# print all lines that are purchasable and have <= 7 rotatable bonds
+t = ('YES',7,)
+c.execute('SELECT * FROM zinc_db1 WHERE purchasable=? AND non_rot_bonds <= ?', t)
+rows = c.fetchall()
+for r in rows:
+    print r
+
+# close connection
+conn.close()
+

sqlite3_examples/update_db.py

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+# 10/28/2013 Sebastian Raschka
+# Syntax basics for updating sqlite3 data bases
+
+import sqlite3
+
+# make connection to existing db
+conn = sqlite3.connect('zinc_db1.db')
+c = conn.cursor()
+
+# update field
+t = ('NO', 'ZINC00895033', )
+c.execute("UPDATE zinc_db1 SET purchasable=? WHERE zinc_id=?", t)
+print "Total number of rows changed:", conn.total_changes
+
+# delete rows
+t = ('NO', )
+c.execute("DELETE FROM zinc_db1 WHERE purchasable=?", t)
+print "Total number of rows deleted: ", conn.total_changes
+
+# add column
+c.execute("ALTER TABLE zinc_db1 ADD COLUMN 'keto_oxy' TEXT")
+
+# save changes
+conn.commit()
+
+# print column names
+c.execute("SELECT * FROM zinc_db1")
+col_name_list = [tup[0] for tup in c.description]
+print col_name_list
+
+
+
+# close connection
+conn.close()