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Chemistry Algorithms scripts

Manipulating infinite lists

This script contains some useful functions which work on infinite lists, including generalized versions of map, filter, zip on gLists. ...
Python

A simple date class

This script can be used by anyone who wants a date object for a program. The code was written as a help for someone trying to do the same thing in C . ...
Python

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

Parsing the command line

The module optparse was a great addition to Python 2.3, since it is much more powerful and easier to use than getopt. Using optparse, writing command-line tools is a breeze. However, the power of optparse comes together with a certain verbosity. This script allows to use optparse with a minimum of boilerplate, ...
Python

Padding variable length sequences

Padding variable length sequences script returns a pad function that implements tuple unpacking. ...
Python

A List of Dictionaries

This  class emulates a list of dictionary objects without the memory and pickle storage overhead which occurs when storing every item in the list as a dictionary. ...
Python

Quasi Singleton Metaclass

In effect, this script provides a pattern for a set of quasi-singletons, identified by keyword. If no keyword is given, the default share is accessed. ...
Python

Readable switch construction

Python's lack of a 'switch' statement has garnered much discussion and even a PEP. The most popular substitute uses dictionaries to map cases to functions, which requires lots of defs or lambdas. While the approach shown in this script may be O(n) for cases, it aims to duplicate C's original 'switch' functionality ...
Python

Binary floating point summation

This script eliminates completely  rounding errors and loss of significance due to catastrophic cancellation during summation. It  achieves exactness by keeping full precision intermediate subtotals. Offers three alternative approaches, each using a different technique to store exact subtotals. ach >using/ ...
Python

Remove duplicates from a sequence

The fastest way to remove duplicates from a sequence depends on some pretty subtle properties of the sequence elements, such as whether they're hashable, and whether they support full comparisons. This script defines the unique() function that tries three methods, from fastest to slowest, letting runtime exceptions pick the best method available for ...
Python

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