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À propos de : Some Basic Data Structures and Algorithms for Chemical Generic Programming        

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  • Some Basic Data Structures and Algorithms for Chemical Generic Programming
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  • Here, we report a template library used for molecular operation, the Molecular Handling Template Library(MHTL). The library includes some generic data structures and generic algorithms, and the two parts areassociated with each other by two concepts: Properties and Molecule. The concept Properties describes theinterface to access objects' properties, and the concept Molecule describes the minimum requirement for amolecular class. Data structures include seven models of Properties, each using a different method to accessproperties, and two models of molecular classes. Algorithms include molecular file manipulation subroutines,SMARTS language interpreter and matcher functions, and molecular OpenGL rendering functions.
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