Programming Fundamentals

CMP305: Computational Science
and Numerical Methods
Book: A Journey Through Computational Science and Numerical

Methods: An Undergraduate Guide
Prof. John B. Oladosu
Lecture 3: Programming Fundamentals
1
Introduction
• Programming is the heart of computational

science. It provides the means to implement
algorithms, simulate scientific phenomena,
and analyze data. In this Lecture, we'll
explore the essential programming
fundamentals necessary for success in
computational science.
2
3.1 Choosing a Programming Language
•Selecting the right programming language is crucial in computational science. The choice often depends on factors like
application domain, ease of use, performance, and available libraries. Common languages used in computational science include:
 Python: Known for its simplicity and readability, Python is a popular choice. It has a vast ecosystem of libraries for scientific
computing (e.g., NumPy, SciPy) and data analysis (e.g., Pandas).
 Download Python - free - latest version at:
https://www.google.com/url?client=internal-element-cse&cx=012684331380167808104:oe5oj--md1a&q=https://python.en.softonic.com/
download&sa=U&ved=2ahUKEwjrkNzblouCAxUzlokEHbRTCXwQFnoECAcQAQ&usg=AOvVaw2yEwfWmv8y84DEIHK38Ltu
 The Python Tutorial: https://docs.python.org/3.11/tutorial/index.html
 C/C++: These languages provide high performance but demand more low-level control. They are commonly used in numerical
simulations and high-performance computing.
 MATLAB: MATLAB is renowned for its numerical computing capabilities and an extensive set of toolboxes. It's widely used in
academia and industry for mathematical modeling and simulation.
 R: R is a language specifically designed for statistical analysis and data visualization. It's a preferred choice for statisticians and
data scientists.
 Julia: Julia is gaining popularity for its high-performance numerical computing capabilities and ease of use. It's designed for
scientific computing.
•The choice of language depends on the specific requirements of your computational tasks and your personal preferences.
3
3.2 Basics of Coding: Syntax and Semantics
•To write effective code, you must understand the syntax (the rules for constructing statements) and
semantics (the meaning behind the statements) of the programming language you're using. Here
are some common elements:
 Variables: Variables store data, and their names are case-sensitive. Declare and initialize
variables before using them.
 Data Types: Different programming languages support various data types, such as integers,
floating-point numbers, strings, and arrays. Understanding data types is crucial for memory
management and type safety.
 Operators: Operators allow you to perform operations on data. Common operators include
arithmetic (+, -, *, /), comparison (==, <, >), and logical (&&, ||).
 Control Structures: Control structures, like loops (for, while) and conditionals (if-else), enable
you to control the flow of your program.
4
3.3 Variables, Data Types, and Operations
•3.3.1 Variables and Data Types

 Integers: Whole numbers, both positive and negative.
 Floating-Point Numbers: Numbers with decimal points, representing
real numbers.
 Strings: Sequences of characters used for text processing.
 Boolean: Represents true or false values.
 Arrays: Ordered collections of elements, often of the same data type.
5
3.3.2 Operations
 Arithmetic Operations: Addition (+), subtraction (-),
multiplication (*), division (/), modulus (%), and
exponentiation (**).
 Comparison Operations: Equal to (==), not equal to (!
=), greater than (>), less than (<), greater than or
equal to (>=), and less than or equal to (<=).
 Logical Operations: AND (&&), OR (||), and NOT (!).
6
3.4 Control Structures
•3.4.1 Conditional Statements
•Conditional statements allow you to execute different code blocks based on
conditions:
 if: Executes code if a condition is true.
 else: Executes code if the condition in the corresponding if statement is false.
 elif (else if): Provides an alternative condition to check if the previous if/elif
conditions are false.
•3.4.2 Loops
•Loops enable you to repeat code blocks multiple times:
 for: Iterates over a sequence (e.g., a list) a predefined number of times.
 while: Repeats code as long as a condition is true.
7
3.5 Functions and Modularization
•Modular programming involves breaking your code into smaller,
manageable pieces. Functions are a key component of modularization:
 Functions: Functions are blocks of code that perform a specific task.
They allow you to reuse code, improve readability, and simplify
debugging.
 Parameters: Functions can take input parameters (arguments) and
return results.
 Scope: Variables can have different scopes, such as local (within a
function) or global (accessible throughout the program).
Understanding scope is crucial for avoiding variable conflicts.
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3.6 Debugging and Testing
•Effective debugging is essential for identifying and fixing errors in your code:
 Debugging Tools: Familiarize yourself with debugging tools provided by your
programming environment. These tools help you inspect variables, step through
code, and pinpoint issues.
 Error Messages: Pay attention to error messages and use them as clues to
identify problems in your code.
 Testing: Develop a habit of writing test cases to ensure that your code works as
expected. Unit testing, integration testing, and regression testing are common
testing approaches.
 Version Control: Use version control systems like Git to track changes to your
code, collaborate with others, and revert to previous versions if needed.

Programming Fundamentals

Uploaded by

Programming Fundamentals

Uploaded by

CMP305: Computational Science

and Numerical Methods

Book: A Journey Through Computational Science and Numerical

Prof. John B. Oladosu

Lecture 3: Programming Fundamentals

• Programming is the heart of computational

 The Python Tutorial: https://docs.python.org/3.11/tutorial/index.html

•3.3.1 Variables and Data Types

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