Scientific Computing
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1 Scientific Computing Martin Lotz School of Mathematics The University of Manchester Lecture 1, September 22, 2014
2 Outline Course Overview Programming Basics The C++ Programming Language
3 Outline Course Overview Programming Basics The C++ Programming Language
4 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 1 / 26
5 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: 1 / 26
6 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables 1 / 26
7 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output 1 / 26
8 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control 1 / 26
9 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control Functions 1 / 26
10 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control Functions Dynamic allocation and pointers 1 / 26
11 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control Functions Dynamic allocation and pointers Using standard libraries 1 / 26
12 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control Functions Dynamic allocation and pointers Using standard libraries Object-Orientated Programming (OOP) 1 / 26
13 Overview of the course This course gives a practical introduction to programming using C++ as programming language. 5 weeks of lectures and tutorials include: Data and variables Input and output Flow control Functions Dynamic allocation and pointers Using standard libraries Object-Orientated Programming (OOP) Debugging and test-based development 1 / 26
14 Course objectives By the end of the course you will be able to: Understand the basic concepts of programming Convert mathematical algorithms into C++ code Interpret the output from a program, producing figures and/or tables to show results Use the concepts of Object-Orientated Programming to improve your programs Implement a numerical method and write a technical report on it 2 / 26
15 Lecture 1 Topics of the first lecture: Computers and programs Syntax and structure of a C++ program Data and variables 3 / 26
16 Lecture 1 Topics of the first lecture: Computers and programs Syntax and structure of a C++ program Data and variables At the end of the lecture you should: Understand the idea of programming a computer Write a simple program to input and output data 3 / 26
17 Outline Course Overview Programming Basics The C++ Programming Language
18 Computers What is a computer? A computer is a device that carries out a series of instructions in order to solve problems. Memory Input CPU Output File Storage An idealised computer 4 / 26
19 Computers What is a computer? A computer is a device that carries out a series of instructions in order to solve problems. Memory CPU - Central Processing Unit Input CPU Output File Storage An idealised computer 4 / 26
20 Computers What is a computer? A computer is a device that carries out a series of instructions in order to solve problems. Memory CPU - Central Processing Unit Input CPU Output CPU and memory work together File Storage An idealised computer 4 / 26
21 Computers What is a computer? A computer is a device that carries out a series of instructions in order to solve problems. Memory CPU - Central Processing Unit Input CPU Output CPU and memory work together File Storage Input may be from keyboard, mouse or a file An idealised computer 4 / 26
22 Computers What is a computer? A computer is a device that carries out a series of instructions in order to solve problems. Memory Input CPU Output File Storage An idealised computer CPU - Central Processing Unit CPU and memory work together Input may be from keyboard, mouse or a file Output may be to screen or a file 4 / 26
23 Some history: The Baby The world s first stored-program computer, the Small Scale Experimental Machine (SSEM), also called The Baby, was developed at Manchester University in (Picture credit: MOSI) 5 / 26
24 Programming What is a computer program? A program is sequence of step-by-step instructions that enable a computer to complete a task. 6 / 26
25 Programming What is a computer program? A program is sequence of step-by-step instructions that enable a computer to complete a task. A computer program is a concrete implementation of an algorithm on a computer. 6 / 26
26 Programming What is a computer program? A program is sequence of step-by-step instructions that enable a computer to complete a task. A computer program is a concrete implementation of an algorithm on a computer. A computer program can be in computer-readable executable form, or human-readable source code form. 6 / 26
27 Programming What is a computer program? A program is sequence of step-by-step instructions that enable a computer to complete a task. A computer program is a concrete implementation of an algorithm on a computer. A computer program can be in computer-readable executable form, or human-readable source code form. The process of translating source code to executable code is called compilation. 6 / 26
28 Programming What is a computer program? A program is sequence of step-by-step instructions that enable a computer to complete a task. A computer program is a concrete implementation of an algorithm on a computer. A computer program can be in computer-readable executable form, or human-readable source code form. The process of translating source code to executable code is called compilation. Programming is understanding Since computers do exactly as they are being told, successfully programming them to solve a problem requires spending considerable time in understanding the problem first. 6 / 26
29 Programming: an example Example Euclid s algorithm finds the greatest common divisor of two integers. Input a, b b = 0? no a > b? yes Output a a a b yes no b b a #include <iostream> using namespace std; int main() { int a,b; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; while(b!=0) { if (a>b) a = a-b; else b = b-a; } cout << "The gcd of a and b is: " << a << endl; } Euclid s algorithm as flowchart and as C++ source code. 7 / 26
30 Programming: the good old days #include <iostream> using namespace std; int main() { int a,b; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; while(b!=0) { if (a>b) a = a-b; else b = b-a; } cout << "The gcd of a and b is: " << a << endl; } A FORTRAN punch card vs. C++ source code. 8 / 26
31 Programming: the good old days Alan Turing not only developed the mathematical foundations of programming, he also wrote the first computer program to play chess. 9 / 26
32 Programming languages 10 / 26
33 Programming languages The source code of a computer program is written in one of many programming languages. 10 / 26
34 Programming languages The source code of a computer program is written in one of many programming languages. Examples of programming languages include Fortran, Fortran 95 C, C++, C# Java, JavaScript Python 10 / 26
35 Programming languages The source code of a computer program is written in one of many programming languages. Examples of programming languages include Fortran, Fortran 95 C, C++, C# Java, JavaScript Python Different languages were designed and optimised for different purposes. 10 / 26
36 Programming languages The source code of a computer program is written in one of many programming languages. Examples of programming languages include Fortran, Fortran 95 C, C++, C# Java, JavaScript Python Different languages were designed and optimised for different purposes. The basic principles of programming are independent of the particular language chosen. Understanding one language makes it easy to learn others! 10 / 26
37 Outline Course Overview Programming Basics The C++ Programming Language
38 The C++ programming language 11 / 26
39 The C++ programming language Developed in the 1980s by Bjarne Stroustrup as object-oriented extension to C. 11 / 26
40 The C++ programming language Developed in the 1980s by Bjarne Stroustrup as object-oriented extension to C. A powerful, multi-purpose, medium-level programming language. 11 / 26
41 The C++ programming language Developed in the 1980s by Bjarne Stroustrup as object-oriented extension to C. A powerful, multi-purpose, medium-level programming language. Used virtually everywhere: from the implementation of operating systems (Windows, Unix, MacOS/OS X) to most big applications. 11 / 26
42 Creating a C++ program 12 / 26
43 Creating a C++ program Code is saved as a text file and written using an editor. 12 / 26
44 Creating a C++ program Code is saved as a text file and written using an editor. The code is then compiled into an executable file. On Unix systems, for example, c++ euclid.cpp -o euclid means that the source code in the file euclid.cpp is transformed into the executable file euclid. 12 / 26
45 Creating a C++ program Code is saved as a text file and written using an editor. The code is then compiled into an executable file. On Unix systems, for example, c++ euclid.cpp -o euclid means that the source code in the file euclid.cpp is transformed into the executable file euclid. In this course we will encourage the use of an Integrated Development Environment (IDE). 12 / 26
46 Creating a C++ program Code is saved as a text file and written using an editor. The code is then compiled into an executable file. On Unix systems, for example, c++ euclid.cpp -o euclid means that the source code in the file euclid.cpp is transformed into the executable file euclid. In this course we will encourage the use of an Integrated Development Environment (IDE). Three recommended pieces of software are: Visual Studio (Windows only) Netbeans (Windows/Linux/Mac) Eclipse (Linux KDE) 12 / 26
47 Creating a C++ program Code is saved as a text file and written using an editor. The code is then compiled into an executable file. On Unix systems, for example, c++ euclid.cpp -o euclid means that the source code in the file euclid.cpp is transformed into the executable file euclid. In this course we will encourage the use of an Integrated Development Environment (IDE). Three recommended pieces of software are: Visual Studio (Windows only) Netbeans (Windows/Linux/Mac) Eclipse (Linux KDE) For the purposes of this course, it will not matter on which platform you write the code. 12 / 26
48 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: 13 / 26
49 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: Semicolon used to mark end of statements 13 / 26
50 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: Semicolon used to mark end of statements Case is important 13 / 26
51 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: Semicolon used to mark end of statements Case is important Totally free form, lines and names can be as long as you like! 13 / 26
52 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: Semicolon used to mark end of statements Case is important Totally free form, lines and names can be as long as you like! Comments take the form /* C style comment */ or // C++ style comment 13 / 26
53 C++ Syntax C++ source code consists of a sequence of instruction. The key elements of C/C++ syntax are: Semicolon used to mark end of statements Case is important Totally free form, lines and names can be as long as you like! Comments take the form /* C style comment */ or // C++ style comment Code blocks are surrounded by braces {} 13 / 26
54 C++ Structure #include <iostream> using namespace std; int main() { int a,b,c; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; c = a+b; // Compute sum of two numbers cout << "The sum of a and b is: " << c << endl; } 14 / 26
55 C++ Structure #include <iostream> using namespace std; Include libraries int main() { int a,b,c; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; c = a+b; // Compute sum of two numbers cout << "The sum of a and b is: " << c << endl; } 14 / 26
56 C++ Structure #include <iostream> using namespace std; int main() { int a,b,c; Include libraries Declare data types and variable names cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; c = a+b; // Compute sum of two numbers cout << "The sum of a and b is: " << c << endl; } 14 / 26
57 C++ Structure #include <iostream> using namespace std; int main() { int a,b,c; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; Include libraries Declare data types and variable names Input values for variables c = a+b; // Compute sum of two numbers cout << "The sum of a and b is: " << c << endl; } 14 / 26
58 C++ Structure #include <iostream> using namespace std; int main() { int a,b,c; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; c = a+b; // Compute sum of two numbers Include libraries Declare data types and variable names Input values for variables Calculations are carried out in sequence cout << "The sum of a and b is: " << c << endl; } 14 / 26
59 C++ Structure #include <iostream> using namespace std; int main() { int a,b,c; cout << "Enter first number: "; cin >> a; cout << "Enter second number: "; cin >> b; c = a+b; // Compute sum of two numbers cout << "The sum of a and b is: " << c << endl; } Include libraries Declare data types and variable names Input values for variables Calculations are carried out in sequence Output to the screen or a file 14 / 26
60 Libraries #include <iostream> / 26
61 Libraries #include <iostream>... Unlike higher level programming languages, there are almost no intrinsic functions in C++. This includes the ability to print to screen. 15 / 26
62 Libraries #include <iostream>... Unlike higher level programming languages, there are almost no intrinsic functions in C++. This includes the ability to print to screen. We can include standard libraries for: Input/Output Advanced storage Strings Mathematical functions 15 / 26
63 Libraries #include <iostream>... Unlike higher level programming languages, there are almost no intrinsic functions in C++. This includes the ability to print to screen. We can include standard libraries for: Input/Output Advanced storage Strings Mathematical functions The syntax is: #include <library name > 15 / 26
64 Libraries #include <iostream>... Unlike higher level programming languages, there are almost no intrinsic functions in C++. This includes the ability to print to screen. We can include standard libraries for: Input/Output Advanced storage Strings Mathematical functions The syntax is: #include <library name > Include statements must appear before any other statements. 15 / 26
65 Data and variables... int a,b,c; / 26
66 Data and variables... int a,b,c;... One of the most common mistakes when programming is caused by swapping between data types (for example, integers and floating point numbers) 16 / 26
67 Data and variables... int a,b,c;... One of the most common mistakes when programming is caused by swapping between data types (for example, integers and floating point numbers) Program may not work quite how we want / 26
68 Data and variables... int a,b,c;... One of the most common mistakes when programming is caused by swapping between data types (for example, integers and floating point numbers) Program may not work quite how we want... So we must understand how the computer uses data. 16 / 26
69 Standard data types 17 / 26
70 Standard data types There are six basic data types in C++: char a character (short/long) int integers with different sizes float single precision real number (long) double double (or higher) precision number bool true or false binary number void this is used when a function doesn t return a value 17 / 26
71 Standard data types There are six basic data types in C++: char a character (short/long) int integers with different sizes float single precision real number (long) double double (or higher) precision number bool true or false binary number void this is used when a function doesn t return a value The precision of numbers will effect the maximum and minimum values they can take 17 / 26
72 Standard data types There are six basic data types in C++: char a character (short/long) int integers with different sizes float single precision real number (long) double double (or higher) precision number bool true or false binary number void this is used when a function doesn t return a value The precision of numbers will effect the maximum and minimum values they can take and also how big errors are. 17 / 26
73 Declaring variables 18 / 26
74 Declaring variables A variable is a named location in memory, used to store data. 18 / 26
75 Declaring variables A variable is a named location in memory, used to store data. We may declare variables anywhere in the code. 18 / 26
76 Declaring variables A variable is a named location in memory, used to store data. We may declare variables anywhere in the code. Variables will be localised to the block in which they are declared 18 / 26
77 Declaring variables A variable is a named location in memory, used to store data. We may declare variables anywhere in the code. Variables will be localised to the block in which they are declared What is the output from the following? int i=0; cout << " i= " << i << endl; { int i=10; cout << " i= " << i << endl; } cout << " i= " << i << endl; 18 / 26
78 Namespaces... using namespace std; / 26
79 Namespaces... using namespace std;... Each variable requires a unique name (in the same scope) 19 / 26
80 Namespaces... using namespace std;... Each variable requires a unique name (in the same scope) In large projects this becomes very difficult 19 / 26
81 Namespaces... using namespace std;... Each variable requires a unique name (in the same scope) In large projects this becomes very difficult A namespace is like adding a surname to a variable: For example, we would have to write std::cout << "Hello World!" << endl; to indicate that the name cout is to be taken from the standard librarystd. 19 / 26
82 Namespaces... using namespace std;... Each variable requires a unique name (in the same scope) In large projects this becomes very difficult A namespace is like adding a surname to a variable: For example, we would have to write std::cout << "Hello World!" << endl; to indicate that the name cout is to be taken from the standard librarystd. The using namespace std; statement at the beginning saves us the hassle of having to use the surname every time we call someone from the std family. 19 / 26
83 Simple input and output 20 / 26
84 Simple input and output We use stream variables to access the screen, keyboard and files. 20 / 26
85 Simple input and output We use stream variables to access the screen, keyboard and files. They allow us to associate a name with a physical output. 20 / 26
86 Simple input and output We use stream variables to access the screen, keyboard and files. They allow us to associate a name with a physical output. We need to include stream libraries at the top of the program #include<iostream> using namespace std main() { int i; cout << " Enter a number. " << endl; cin >> i; //read in a number cout << " Your number is " << i << endl; } 20 / 26
87 Simple input and output 21 / 26
88 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable 21 / 26
89 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable To pass data to and from the stream we use the << and >> operators. 21 / 26
90 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable To pass data to and from the stream we use the << and >> operators. << data is passed right to left, in the example the string is passed to cout 21 / 26
91 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable To pass data to and from the stream we use the << and >> operators. << data is passed right to left, in the example the string is passed to cout >> data is passed left to right, in the example the integer is passed from cin to i 21 / 26
92 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable To pass data to and from the stream we use the << and >> operators. << data is passed right to left, in the example the string is passed to cout >> data is passed left to right, in the example the integer is passed from cin to i Multiple bits of data can be passed to the stream by stringing them together in the same command. 21 / 26
93 Simple input and output cout is the standard screen variable, and cin the standard keyboard variable To pass data to and from the stream we use the << and >> operators. << data is passed right to left, in the example the string is passed to cout >> data is passed left to right, in the example the integer is passed from cin to i Multiple bits of data can be passed to the stream by stringing them together in the same command. Use endl to finish a line. 21 / 26
94 Using variables 22 / 26
95 Using variables We can assign a variable a value using = data 1 = / 26
96 Using variables We can assign a variable a value using = data 1 = The data types on both sides of = must be compatible 22 / 26
97 Using variables We can assign a variable a value using = data 1 = The data types on both sides of = must be compatible We can add/subtract, multiply/divide standard data types double a,b,c; b = 5. ; c = 4.1; a = 10. * b + c; 22 / 26
98 Other operators 23 / 26
99 Other operators We call +-*/ operators 23 / 26
100 Other operators We call +-*/ operators We shall see later that they may be overloaded. 23 / 26
101 Other operators We call +-*/ operators We shall see later that they may be overloaded. Other operators are: a%b :: returns a modulus b a++ :: increment a by 1 a-- :: decrement a by 1 a+=b :: set a equal to a plus b a*=b :: set a equal to a times b 23 / 26
102 An example program #include <iostream> using namespace std; int main() { int a; cout << "Enter a number: "; cin >> a; a*=a; cout << "The square is " << a << endl; } 24 / 26
103 An example program #include <iostream> using namespace std; int main() { int a; cout << "Enter a number: "; cin >> a; a*=a; cout << "The square is " << a << endl; } If this program is contained in square.cpp, then under Unix we can do: 24 / 26
104 An example program #include <iostream> using namespace std; int main() { int a; cout << "Enter a number: "; cin >> a; a*=a; cout << "The square is " << a << endl; } If this program is contained in square.cpp, then under Unix we can do: % c++ square.cpp -o square %./square Enter a number: 5 The square is / 26
105 File input and output 25 / 26
106 File input and output To read and write to files we must include the fstream library. 25 / 26
107 File input and output To read and write to files we must include the fstream library. Input streams have type ifstream, and output streams ofstream ifstream file input; // an input file stream ofstream file output; // an output file stream 25 / 26
108 File input and output To read and write to files we must include the fstream library. Input streams have type ifstream, and output streams ofstream ifstream file input; // an input file stream ofstream file output; // an output file stream ifstream and ofstream have intrinsic functions to open and close files. 25 / 26
109 File input and output To read and write to files we must include the fstream library. Input streams have type ifstream, and output streams ofstream ifstream file input; // an input file stream ofstream file output; // an output file stream ifstream and ofstream have intrinsic functions to open and close files. We can also check if the file is open with the is open() function. file input.open("input.in"); // open file input.in if(file input.is open()) // check file is open 25 / 26
110 Summary 26 / 26
111 Summary Topics: Computers and programs Fundamentals of C++ Data and variables Input and output 26 / 26
112 Summary Topics: Computers and programs Fundamentals of C++ Data and variables Input and output Aims: Understand the idea of programming a computer Write a simple program to input and output data, and perform basic arithmetic operations 26 / 26
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