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
  • Using python and nose to write unit tests? (modular)
    • example of test code, and how to run the tests
      • bioinformatics
      • physics
  • 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
  • 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