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Chemistry Algorithms scripts

Shed Skin

Shed Skin is an experimental Python-to-C compiler. It can convert pure, but implicitly statically typed Python programs into optimized C code. Currently, these programs cannot freely use the Python standard library. ...
Python
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min max peaks with Numeric

Given a large one-dimensional array, this script breaks it into blocks of contstant length and compute min and max for each block, the so-called "peaks data". ...
Python
min max peaks with Numeric downloadDownload

Extract a inner function from a class

This function can extract a inner function from a class or a function. It may be useful when writing a unit test code. ...
Python
Extract a inner function from a class downloadDownload

Integrating Twisted reactor with IPython

This script allows you to run the Twisted reactor event loop in a thread alongside an IPython shell, for introspecting a running Twisted process. ...
Python
Integrating Twisted reactor with IPython downloadDownload

Function composition

This script contains two classes that show two styles of function composition. The difference is only when the second function (g) returns a tuple. compose function passes the results of g as a tuple, mcompose treats it as a tuple of args to pass along. Note that extra args provided to (m)compose are treated ...
Python
Function composition downloadDownload

Lazy Traversal of Directed Graphs

The os.path.walk routine that ships with the python standard library is limited to traversing the file system tree. This script allows you to realize a generic traversal for arbitrary (directed) graphs with support for recursion limits. ...
Python
Lazy Traversal of Directed Graphs downloadDownload

Infix Postfix

This script is useful to convert an infix expression to postfix and vice-versa. You can also evaluate infix and postfix expressions. ...
Python
Infix Postfix downloadDownload

pkgconfig parser

This script creates a class to allow access to variables stored in pkg-config files ( or '.pc' files ). This is usefull in conjunction with distutils to get correct information for compiling external C/C modules. Variable substitution is performed with string.Template. ...
Python
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A friendly mkdir

This scripts provides a function mkdir() more friendly than Python's standard os.mkdir(). Limitations: it doesn't take the optional 'mode' argument yet. ...
Python
A friendly mkdir downloadDownload

Quantum Superposition

This script lets you treat  python sets.The constructor takes any number of scalars and/or Superposition instances. These items are the possible states. When doing scalar operations on such objects, the operation is delegated to its possible statbjects, tr >/ ...
Python
Quantum Superposition downloadDownload

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