Open writing projects/Scientific Programming with Python and Subversion/Outline
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Outline
- sections marked with '(modular)' can be re-written using a different technology (i.e. git instead of svn)
0 Introduction
- Why this book?
- motivation - A classic problem in the sciences is there;s lots of training in the science you can do with computers, but little training in how to do it
- Assumes no prior knowledge of Python; introduces computing tools as they are needed in the context of a typical scientific investigation. This makes it useful to both beginners and more experienced users
- goal - to make managing projects easier, but more importantly to promote good scientific practice using computing methods
- Introduce scientific themes throughout the book
- Covers themes from biology, informatics, and physics? - for informatics, maybe use examples from one of the NCBI coffee breaks
Part I: Intro to scientific programming using python
1 Why use python for scientific programming
- What is python?
- computer language that offers easy access to high-level functions, and has a large and growing community of scientific users
- Why build scientific applications in python?
- python code looks clean - easy to understand yours or your collaborators code a week later
- everything from data generation to analysis to plots can be done in python, making every aspect of your project consistent. These together promote good scientific practices (data integrity, data reproduceability)
2 A brief introduction to python
- What the scientist needs to know to get started (References to Programming Python for more programming detail?)
- variable assignment
- basic control structures
- functions
- package structure and import
- objects (just like packages)
3 Source Control Management with Subversion
- What is source control?
- Similar to Word 'track changes' or wiki 'history' but for all the files in a project.
- A way to keep a history of every step in a process.
- Not only for computer code, but for data, plots, paper manuscripts, etc.
- A modular introduction to Subversion
- What is a repository?
- How to create a repository
- How to make basic commits
- Seeing differences between versions
- Retrieving past versions
- Collaboration using subversion
- Advanced Topics
- Branching and Merging
4 Making scientific plots with python
- A modular introduction to matplotlib
- basic functionality - simple line, bar, histogram plots
- more sophisticated graphics - insets, labeling with text, drawing arrows
- interactive graphics - adjusting parameters for real-time fitting
- An example project use of matplotlib
- bioinformatics
- physics
5 Crunching numbers with python
- Python community modules (modular)
- using numpy for matrix manipulations
- using the scipy project tools
- interacting with the Gnu Scientific Library
- An example project
- bioinformatics
- physics
- others?
6 Unit testing for scientists
- What is unit testing?
- A way to generate automated tests of small units of code
- Why do unit testing?
- example: switching a sorting algorithm - how do you know the code works the same way
- typically done by 'eye' by running the code manually and looking at output
- with unit tests can see if the code failed, and if it did, where exactly
- example: switching a sorting algorithm - how do you know the code works the same way
- Using python and nose to write unit tests? (modular)
- example of test code, and how to run the tests
- bioinformatics
- physics
- example of test code, and how to run the tests
- How do I know which tests to write?
- (This one is hard)
7 Advanced topic - using SWIG and psyco to speed up python code
- this section could be omitted initially
- What if python is not fast enough for my project?
- Several options:
- Use psyco to 'compile' the python code
- Identify the slow parts and write them in C/C++ and bind them to python using SWIG
- Several options:
- Using psyco
- Using C with SWIG
Part II: Examples
- Case studies: This section could be omitted initially - ideally we could have an svn repo set up for people to pull from to look at the code examples at each step of the way
- go through from start to finish
- initially create a repository
- the first code
- the first tests
- moving on