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Read and save structures in various chemistry file formats. Determine if one structure is a substructure of another (substructure matching). Determine if two structures are equal (exact matching). Identification of substructures common to structures in a set (maximal common substructure, MCS). Disassemble molecules, splitting into fragments.
Introsort or introspective sort is a hybrid sorting algorithm that provides both fast average performance and (asymptotically) optimal worst-case performance. It begins with quicksort, it switches to heapsort when the recursion depth exceeds a level based on (the logarithm of) the number of elements being sorted and it switches to insertion sort when the number of elements is below some threshold.
Swapping pairs of items in successive steps of Shellsort with gaps 5, 3, 1. Shellsort, also known as Shell sort or Shell's method, is an in-place comparison sort.It can be understood as either a generalization of sorting by exchange (bubble sort) or sorting by insertion (insertion sort). [3]
Insertion sort is a simple sorting algorithm that builds the final sorted array (or list) one item at a time by comparisons. It is much less efficient on large lists than more advanced algorithms such as quicksort, heapsort, or merge sort. However, insertion sort provides several advantages:
JScript .NET is a .NET programming language developed by Microsoft.. The primary differences between JScript and JScript .NET can be summarized as follows: . Firstly, JScript is a scripting language, and as such programs (or more suggestively, scripts) can be executed without the need to compile the code first.
Bubble sort, sometimes referred to as sinking sort, is a simple sorting algorithm that repeatedly steps through the input list element by element, comparing the current element with the one after it, swapping their values if needed. These passes through the list are repeated until no swaps have to be performed during a pass, meaning that the ...
Such a component or property is called a sort key. For example, the items are books, the sort key is the title, subject or author, and the order is alphabetical. A new sort key can be created from two or more sort keys by lexicographical order. The first is then called the primary sort key, the second the secondary sort key, etc.
A property, in some object-oriented programming languages, is a special sort of class member, intermediate in functionality between a field (or data member) and a method.The syntax for reading and writing of properties is like for fields, but property reads and writes are (usually) translated to 'getter' and 'setter' method calls.