Python: An Introduction

Agenda
 Introduction
 Running Python
 Python Programming
 Data types
 Control flows
 Classes, functions, modules
 Hands-on Exercises
Course Goals

 To understand the basic structure and syntax of Python

programming language
 To learn how to run Python scripts on our research
computing facility, the Emerald Linux cluster
 To write your own simple Python scripts.
 To serve as the starting point for more advanced training on
Python coding
What is python?
 Object oriented language
 Interpreted language
 Supports dynamic data type
 Independent from platforms
 Focused on development time
 Simple and easy grammar
 High-level internal object data types
 Automatic memory management
 It’s free (open source)!
Timeline
 Python born, name picked - Dec 1989
 By Guido van Rossum, now at GOOGLE
 First public release (USENET) - Feb 1991
 python.org website - 1996 or 1997
 2.0 released - 2000
 Python Software Foundation - 2001
 …
 2.4 released - 2004
 2.5 released – 2006
 Current version: 2.6.x
Language properties
 Everything is an object
 Modules, classes, functions
 Exception handling
 Dynamic typing, polymorphism
 Static scoping
 Operator overloading
 Indentation for block structure
High-level data types

 Numbers: int, long, float, complex

 Strings: immutable
 Lists and dictionaries: containers
 Other types for e.g. binary data, regular expressions,
introspection
 Extension modules can define new “built-in” data types
Why learn python?
 Fun-to-use "Scripting language"
 Object-oriented
 Highly educational
 Very easy to learn
 Powerful, scalable, easy to maintain
 high productivity
 Lots of libraries
 Glue language
 Interactive front-end for FORTRAN/C/C++ code
Why learn python? (cont.)
 Reduce development time
 Reduce code length
 Easy to learn and use as developers
 Easy to understand codes
 Easy to do team projects
 Easy to extend to other languages
Where to use python?
 System management (i.e., scripting)
 Graphic User Interface (GUI)
 Internet programming
 Database (DB) programming
 Text data processing
 Distributed processing
 Numerical operations
 Graphics
 And so on…
Python vs. Perl

 Easier to learn
 important for occasional users
 More readable code
 improved code maintenance
 Fewer “magical” side effects
 More “safety” guarantees
 Better Java integration
 Less Unix bias
Python vs. Java

 Code 5-10 times more concise

 Dynamic typing
 Much quicker development
 no compilation phase
 less typing
 Yes, it runs slower
 but development is so much faster!
 Similar (but more so) for C/C++
 Use Python with Java: JPython!
Agenda

 Introduction
 Running Python
 Python Programming
 Data types
 Control flows
 Classes, functions, modules
 Hands-on Exercises

The PPT/WORD format of this presentation is available here:

http://its2.unc.edu/divisions/rc/training/scientific/
/afs/isis/depts/its/public_html/divisions/rc/training/scientific/short_courses/
 Running Python Interactively
 Start python by typing "python"
 /afs/isis/pkg/isis/bin/python
 ^D (control-D) exits
 % python
 >>> ^D
 %
 Comments start with ‘#’
 >>> 2+2 #Comment on the same line as text
 4
 >>> 7/3 #Numbers are integers by default
 2
 >>> x = y = z = 0 #Multiple assigns at once
 >>> z
 0
 Running Python Programs
 In general
% python ./myprogram.py
 Can also create executable scripts
 Compose the code in an editor like vi/emacs
% vi ./myprogram.py # Python scripts with the suffix .py.
 Then you can just type the script name to execute
% python ./myprogram.py
 The first line of the program tells the OS how to execute it:
 #! /afs/isis/pkg/isis/bin/python
 Make the file executable:
% chmod +x ./myprogram.py
 Then you can just type the script name to execute
% ./myprogram.py
 Running Python Programs
Interactively
Suppose the file script.py contains the following lines:
print 'Hello world'
x = [0,1,2]
Let's run this script in each of the ways described on the last slide:
 python -i script.py
Hello world
>>> x
[0,1,2]

 $ python
>>> execfile('script.py')
>>> x
[0,1,2]
 Running Python Programs
Interactively
Suppose the file script.py contains the following lines:
print 'Hello world'
x = [0,1,2]
Let's run this script in each of the ways described on the last slide:
 python
>>> import script # DO NOT add the .py suffix. Script is a module here
>>> x
Traceback (most recent call last):
File "<stdin>", line 1, in ?
NameError: name 'x' is not defined
>>> script.x # to make use of x, we need to let Python know which
#module it came from, i.e. give Python its context
[0,1,2]
 Running Python Programs
Interactively
# Pretend that script.py contains multiple stored quantities. To promote x(and only x) to
the top level context, type the following:
 $ python
>>> from script import x
Hello world
>>> x
[0,1,2]
>>>
# To promote all quantities in script.py to the top level context, type
from script import * into the interpreter. Of course, if that's what you want,
you might as well type python -i script.py into the terminal.
>>> from script import *
File naming conventions

 python files usually end with the suffix .py

 but executable files usually don’t have the .py
extension
 modules (later) should always have the .py extension
Comments

Start with # and go to end of line

What about C, C++ style comments?

NOT supported!
Agenda

 Introduction
 Running Python
 Python Programming
 Data types
 Control flows
 Classes, functions, modules
 Hands-on Exercises

The PPT/WORD format of this presentation is available here:

http://its2.unc.edu/divisions/rc/training/scientific/
/afs/isis/depts/its/public_html/divisions/rc/training/scientific/short_courses/
Python Syntax
 Much of it is similar to C syntax
 Exceptions:
 missing operators: ++, --
 no curly brackets,{}, for blocks; uses whitespace
 different keywords
 lots of extra features
 no type declarations!
Simple data types
 Numbers
 Integer, floating-point, complex!

 Strings
 characters are strings of length 1

 Booleans are False or True

Numbers
 The usual notations and operators
 12, 3.14, 0xFF, 0377, (-1+2)*3/4**5, abs(x), 0<x<=5

 C-style shifting & masking

 1<<16, x&0xff, x|1, ~x, x^y
 Integer division truncates :-(
 1/2 -> 0 # float(1)/2 -> 0.5
 Long (arbitrary precision), complex
 2L**100 -> 1267650600228229401496703205376L
 1j**2 -> (-1+0j)
Strings and formatting
i = 10

d = 3.1415926

s = "I am a string!"

print "%d\t%f\t%s" % (i, d, s)

print “newline\n"

print "no newline"

Variables

 No need to declare
 Need to assign (initialize)
 use of uninitialized variable raises exception
 Not typed
if friendly: greeting = "hello world"
else: greeting = 12**2
print greeting
 Everything is a variable:
 functions, modules, classes
Reference semantics

 Assignment manipulates references

x = y does not make a copy of y
x = y makes x reference the object y references
 Very useful; but beware!
 Example:
>>> a = [1, 2, 3]; b = a
>>> a.append(4); print b
[1, 2, 3, 4]
Simple data types: operators

 + - * / % (like C)
 += -= etc. (no ++ or --)
 Assignment using =
 but semantics are different!
a = 1
a = "foo" # OK
 Can also use + to concatenate strings
Strings
 "hello"+"world" "helloworld" # concatenation
 "hello"*3 "hellohellohello" # repetition
 "hello"[0] "h" # indexing
 "hello"[-1] "o" # (from end)
 "hello"[1:4] "ell" # slicing
 len("hello") 5 # size
 "hello" < "jello" 1 # comparison
 "e" in "hello" 1 # search
 New line: "escapes: \n "
 Line continuation: triple quotes ’’’
 Quotes: ‘single quotes’, "raw strings"
Simple Data Types

 Triple quotes useful for multi-line strings

>>> s = """ a long
... string with "quotes" or anything
else"""
>>> s
' a long\012string with "quotes" or
anything else'
>>> len(s)
45
Methods in string

 upper()  strip(), lstrip(), rstrip()

 lower()  replace(a, b)
 capitalize()  expandtabs()
 count(s)  split()
 find(s)  join()
 rfind(s)  center(), ljust(), rjust()
 index(s)
Compound Data Type: List
 List:
 A container that holds a number of other objects, in a
given order
 Defined in square brackets
a = [1, 2, 3, 4, 5]
print a[1] # number 2
some_list = []
some_list.append("foo")
some_list.append(12)
print len(some_list) # 2
List

a = [99, "bottles of beer", ["on", "the", "wall"]]

 Flexible arrays, not Lisp-like linked lists
 Same operators as for strings
 a+b, a*3, a[0], a[-1], a[1:], len(a)
 Item and slice assignment
 a[0] = 98
 a[1:2] = ["bottles", "of", "beer"]
-> [98, "bottles", "of", "beer", ["on", "the", "wall"]]
 del a[-1] # -> [98, "bottles", "of", "beer"]
More list operations

>>> a = range(5) # [0,1,2,3,4]

>>> a.append(5) # [0,1,2,3,4,5]
>>> a.pop() # [0,1,2,3,4]
5
>>> a.insert(0, 5.5) # [5.5,0,1,2,3,4]
>>> a.pop(0) # [0,1,2,3,4]
5.5
>>> a.reverse() # [4,3,2,1,0]
>>> a.sort() # [0,1,2,3,4]
Operations in List
 append  Indexing e.g., L[i]
 insert  Slicing e.g., L[1:5]
 index  Concatenation e.g., L + L
 count  Repetition e.g., L * 5
 sort
 Membership test e.g., ‘a’ in L
 reverse
 Length e.g., len(L)
 remove
 pop
 extend
Nested List
 List in a list
 E.g.,
 >>> s = [1,2,3]
 >>> t = [‘begin’, s, ‘end’]
 >>> t
 [‘begin’, [1, 2, 3], ‘end’]
 >>> t[1][1]
 2
Dictionaries
 Dictionaries: curly brackets
 What is dictionary?
 Refer value through key; “associative arrays”
 Like an array indexed by a string
 An unordered set of key: value pairs
 Values of any type; keys of almost any type
 {"name":"Guido", "age":43, ("hello","world"):1,
42:"yes", "flag": ["red","white","blue"]}
d = { "foo" : 1, "bar" : 2 }
print d["bar"] # 2
some_dict = {}
some_dict["foo"] = "yow!"
print some_dict.keys() # ["foo"]
Methods in Dictionary
 keys()
 values()
 items()
 has_key(key)
 clear()
 copy()
 get(key[,x])
 setdefault(key[,x])
 update(D)
 popitem()
Dictionary details

 Keys must be immutable:

 numbers, strings, tuples of immutables
 these cannot be changed after creation
 reason is hashing (fast lookup technique)
 not lists or other dictionaries
 these types of objects can be changed "in place"
 no restrictions on values
 Keys will be listed in arbitrary order
 again, because of hashing
Tuples
 What is a tuple?
 A tuple is an ordered collection which cannot
be modified once it has been created.
 In other words, it's a special array, a read-only array.
 How to make a tuple? In round brackets
 E.g.,
>>> t = ()
>>> t = (1, 2, 3)
>>> t = (1, )
>>> t = 1,
>>> a = (1, 2, 3, 4, 5)
>>> print a[1] # 2
Operations in Tuple

 Indexing e.g., T[i]

 Slicing e.g., T[1:5]
 Concatenation e.g., T + T
 Repetition e.g., T * 5
 Membership test e.g., ‘a’ in T
 Length e.g., len(T)
List vs. Tuple
 What are common characteristics?
 Both store arbitrary data objects
 Both are of sequence data type

 What are differences?

 Tuple doesn’t allow modification
 Tuple doesn’t have methods
 Tuple supports format strings
 Tuple supports variable length parameter in function call.
 Tuples slightly faster
Data Type Wrap Up

 Integers: 2323, 3234L

 Floating Point: 32.3, 3.1E2
 Complex: 3 + 2j, 1j
 Lists: l = [ 1,2,3]
 Tuples: t = (1,2,3)
 Dictionaries: d = {‘hello’ : ‘there’, 2 : 15}
Data Type Wrap Up

 Lists, Tuples, and Dictionaries can store any type (including

other lists, tuples, and dictionaries!)
 Only lists and dictionaries are mutable
 All variables are references
Input

 The raw_input(string) method returns a line of user input as a string

 The parameter is used as a prompt
 The string can be converted by using the conversion methods
int(string), float(string), etc.
File I/O
f = file("foo", "r")
line = f.readline()
print line,
f.close()
# Can use sys.stdin as input;
# Can use sys.stdout as output.
Files: Input

input = open(‘data’, ‘r’) Open the file for input

S = input.read() Read whole file into

one String
S = input.read(N) Reads N bytes
(N >= 1)
L = input.readlines() Returns a list of line
strings
Files: Output

output = open(‘data’, ‘w’) Open the file for

writing
output.write(S) Writes the string S to
file
output.writelines(L) Writes each of the
strings in list L to file
output.close() Manual close
open() and file()
 These are identical:
f = open(filename, "r")
f = file(filename, "r")
 The open() version is older
 The file() version is the recommended way to open a file now
 uses object constructor syntax (next lecture)
OOP Terminology

 class -- a template for building objects

 instance -- an object created from the template (an
instance of the class)
 method -- a function that is part of the object and
acts on instances directly
 constructor -- special "method" that creates new
instances
Objects
 Objects:
 What is an object?
 data structure, and
 functions (methods) that operate on it
class thingy:
# Definition of the class here, next slide
t = thingy()
t.method()
print t.field
 Built-in data structures (lists, dictionaries) are also objects
 though internal representation is different
Defining a class

class Thingy:
"""This class stores an arbitrary object."""
def __init__(self, value):
constructor
"""Initialize a Thingy."""
self.value = value
method
def showme(self):
"""Print this object to stdout."""
print "value = %s" % self.value
Using a class (1)
t = Thingy(10) # calls __init__ method

t.showme() # prints "value = 10"

 t is an instance of class Thingy
 showme is a method of class Thingy
 __init__ is the constructor method of class Thingy
 when a Thingy is created, the __init__ method is called
 Methods starting and ending with __ are "special" methods
Using a class (2)

print t.value # prints "10"

 value is a field of class Thingy

t.value = 20 # change the field value

print t.value # prints "20"
"Special" methods

 All start and end with __ (two underscores)

 Most are used to emulate functionality of built-in
types in user-defined classes
 e.g. operator overloading
 __add__, __sub__, __mult__, ...
 see python docs for more information
Control flow (1)
 if, if/else, if/elif/else
if a == 0:
print "zero!"
elif a < 0:
print "negative!"
else:
print "positive!"
 Notes:
• blocks delimited by indentation!
• colon (:) used at end of lines containing control flow keywords
Control flow (3)

while loops

a = 10
while a > 0:
print a
a -= 1
Control flow (4)

for loops

for a in range(10):
print a

really a "foreach" loop

Control flow (5)

Common for loop idiom:

a = [3, 1, 4, 1, 5, 9]
for i in range(len(a)):
print a[i]
Control flow (6)
 Common while loop idiom:
f = open(filename, "r")
while True:
line = f.readline()
if not line:
break
# do something with line
Control flow (7): odds & ends

continue statement like in C

pass keyword:

if a == 0:
pass # do nothing
else:
# whatever
Defining functions

def foo(x):
y = 10 * x + 2
return y
All variables are local unless
specified as global
Arguments passed by value
Executing functions

def foo(x):
y = 10 * x + 2
return y

print foo(10) # 102

Why use modules?
 Code reuse
 Routines can be called multiple times within a program
 Routines can be used from multiple programs
 Namespace partitioning
 Group data together with functions used for that data
 Implementing shared services or data
 Can provide global data structure that is accessed by
multiple subprograms
Modules
 Modules are functions and variables defined in separate files
 Items are imported using from or import
 from module import function
 function()

 import module
 module.function()
 Modules are namespaces
 Can be used to organize variable names, i.e.
 atom.position = atom.position - molecule.position
Modules
 Access other code by importing modules
import math

print math.sqrt(2.0)

 or:
from math import sqrt

print sqrt(2.0)
Modules
 or:
from math import *

print sqrt(2.0)

 Can import multiple modules on one line:

import sys, string, math

 Only one "from x import y" per line

Example: NumPy Modules
 http://numpy.scipy.org/
 NumPy has many of the features of Matlab, in a free, multiplatform program. It
also allows you to do intensive computing operations in a simple way
 Numeric Module: Array Constructors
 ones, zeros, identity
 arrayrange
 LinearAlgebra Module: Solvers
 Singular Value Decomposition
 Eigenvalue, Eigenvector
 Inverse
 Determinant
 Linear System Solver
Arrays and Constructors
 >>> a = ones((3,3),float)
 >>> print a
 [[1., 1., 1.],
 [1., 1., 1.],
 [1., 1., 1.]]
 >>> b = zeros((3,3),float)
 >>> b = b + 2.*identity(3) #"+" is overloaded
 >>> c = a + b
 >>> print c
 [[3., 1., 1.],
 [1., 3., 1.],
 [1., 1., 3.]]
Overloaded operators
 >>> b = 2.*ones((2,2),float) #overloaded
 >>> print b
 [[2.,2.],

 [2.,2.]]
 >>> b = b+1 # Addition of a scalar is
 >>> print b # element-by-element
 [[3.,3.],

 [3.,3.]]
 >>> c = 2.*b # Multiplication by a scalar is
 >>> print c # element-by-element
 [[6.,6.],

 [6.,6.]]
Array functions
 >>> from LinearAlgebra import *
 >>> a = zeros((3,3),float) + 2.*identity(3)
 >>> print inverse(a)
 [[0.5, 0., 0.],
 [0., 0.5, 0.],
 [0., 0., 0.5]]
 >>> print determinant(inverse(a))
 0.125
 >>> print diagonal(a)
 [0.5,0.5,0.5]
 >>> print diagonal(a,1)
 [0.,0.]
 transpose(a), argsort(), dot()
Eigenvalues
 >>> from LinearAlgebra import *
 >>> val = eigenvalues(c)
 >>> val, vec = eigenvectors(c)
 >>> print val
 [1., 4., 1.]
 >>> print vec
 [[0.816, -0.408, -0.408],
 [0.575, 0.577, 0.577],
 [-0.324, -0.487, 0.811]]
 also solve_linear_equations, singular_value_decomposition, etc.
Least Squares Fitting
 Part of Hinsen's Scientific Python module
 >>> from LeastSquares import *
 >>> def func(params,x): # y=ax^2+bx+c
 return params[0]*x*x + params[1]*x +
 params[2]
 >>> data = []
 >>> for i in range(10):
 data.append((i,i*i))
 >>> guess = (3,2,1)
 >>> fit_params, fit_error =
 leastSquaresFit(func,guess,data)
 >>> print fit_params
 [1.00,0.000,0.00]
FFT
 >>> from FFT import *
 >>> data = array((1,0,1,0,1,0,1,0))
 >>> print fft(data).real
 [4., 0., 0., 0., 4., 0., 0., 0.]]

 Also note that the FFTW package ("fastest Fourier transform in the West")
has a python wrapper. See notes at the end
 Python Standard Libraries/Modules:
 http://docs.python.org/library/
 http://its2.unc.edu/dci/dci_components/shared_apps/packages/python_pa
ckages.html
 http://pypi.python.org/pypi/
Command-line arguments
import sys
print len(sys.argv) # NOT argc
# Print all arguments:
print sys.argv
# Print all arguments but the program
# or module name:
print sys.argv[1:] # "array slice"
Catching Exceptions
#python code a.py
x = 0
try:
print 1/x
except ZeroDivisionError, message:
print "Can’t divide by zero:"
print message
>>>python a.py
Can't divide by zero:
integer division or modulo by zero
Try-Finally: Cleanup

f = open(file)
try:
process_file(f)
finally:
f.close() # always executed
print "OK" # executed on success only
Raising Exceptions

 raise IndexError
 raise IndexError("k out of range")
 raise IndexError, "k out of range”
 try:
something
except: # catch everything
print "Oops"
raise # reraise
Python: Pros & Cons
 Pros
 Free availability (like Perl, Python is open source).
 Stability (Python is in release 2.6 at this point and, as I noted earlier, is older than Java).
 Very easy to learn and use
 Good support for objects, modules, and other reusability mechanisms.
 Easy integration with and extensibility using C and Java.
 Cons
 Smaller pool of Python developers compared to other languages, such as Java
 Lack of true multiprocessor support
 Absence of a commercial support point, even for an Open Source project (though this situation
is changing)
 Software performance slow, not suitable for high performance applications
References
 Python Homepage
• http://www.python.org
 Python Tutorial
• http://docs.python.org/tutorial/
 Python Documentation
• http://www.python.org/doc
 Python Library References
 http://docs.python.org/release/2.5.2/lib/lib.html
 Python Add-on Packages:
 http://pypi.python.org/pypi
Questions & Comments
Please direct comments/questions about research computing to
E-mail: [email protected]
Please direct comments/questions pertaining to this presentation to
E-Mail: [email protected]

The PPT file of this presentation is available here:

Hands-On Exercises
 26 codes at /netscr/training/Python
 Copy to your own /netscr/$USER
 Read, understand, and then run them
 Suggested order:
 hello, input, print, readwrite
 number, string_test, sort
 list, dictionary, tuple, function, class
 loop, fact, …
 calculator, guess, prime_number
 matrix, opt, leastsq

The PPT/WORD format of this presentation is available here:

http://its2.unc.edu/divisions/rc/training/scientific/
/afs/isis/depts/its/public_html/divisions/rc/training/scientific/short_courses/