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Chemistry Algorithms scripts

Ruby like syntactic sugar

Ruby offers very nice language constructs for loops or for iterating over lists like the following: 5.times { print "Hello World" }. This recipe shows how to implement these features in python. ...
Python
Ruby like syntactic sugar downloadDownload

Load data in browser without using temp files

This script displays the html files in the default web browser without creating a temp file. It instantiates a trivial http server and calls webbrowser.open with a URL to retrieve html from that server. ...
Python
Load data in browser without using temp files downloadDownload

Permutation

This script contains a small but efficient recursive function for printing the permutation of characters in a given string. ...
Python
Permutation downloadDownload

Allowing the Python profiler to profile C modules

This script lets you take into account time spent in C modules when profiling your Python code. Normally the profiler only profiles Python code, so finding out how much time is spent accessing a database, running encryption code, sleeping and so on is difficult. Profilewrap makes it easy to profile C ...
Python
Allowing the Python profiler to profile C modules downloadDownload

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
A simple date class downloadDownload

A generator for any number of for loop

Python has a number of nice methods to handle 'for' loops. However, the situation often arises where you have a large number of nested loops. This script allows you to reduces the number of loops to one. ...
Python
A generator for any number of for loop downloadDownload

Computing permutations with duplicates

This script handles duplicate values in a list. It could easily be made a generator, and it does not require recursion. ...
Python
Computing permutations with duplicates downloadDownload

Finite State Machine FSM

This script shows a Finite State Machine (FSM) that can be used for small parsing tasks. The code is quite simple. The bulk of it is comments. In addition to state this FSM also maintains a user defined "something". This "something" is effectively memory, so this FSM could be considered a ...
Python
Finite State Machine FSM downloadDownload

Drawing inheritance diagrams with Dot

Dot is a very nice graph description language developed at MIT. Combined with Python, it makes an ideal tool to automatically generate diagrams. This script produces beautiful inheritance diagrams for Python classes (and metaclasses too). In particular the recipe allows to display the MRO (Method Resolution Order) for complicate inheritance hierarchies. ...
Python
Drawing inheritance diagrams with Dot downloadDownload

Sglib

... concatenation, reverse or sort for lists. Sglib provides algorithms, not data structures. Algorithms implemented in Sglib operate on user's types, for example, list macros are operational for any data structure containing a pointer to the same type. ...
C/C++
Sglib downloadDownload

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