The paper proposes a method for the reconstruction of geometric models defined in theoretical drawings as well as the reconstruction of geometric models of imported products with improved design characteristics. To solve this problem, it is proposed to use a specialized blade profile modelling application. The application is developed on the AutoCAD/nanoCAD platform and is based on the basic FairCurveModeler application. Based on accurate data, the FairCurveModeler application generates an adequate geometric model regardless of the density and configuration of the distribution of points along the contour of a profile. The method for reconstruction of a curvilinear surface of a model consists of constructing a virtual curve. To obtain a smooth resulting curve without oscillation of the curvature graph, we propose a smoothing method by using two virtual curves to model the smoothing curve generated from array of noisy points. The first virtual curve is defined by points with even numbers, and the second curve is defined by points with odd numbers. Then even-numbered points are moved toward the second curve, and odd-numbered points are moved toward the first curve. After a certain number of iterations, the resulting virtual curve is generated by all points of the corrected array.
Предлагаемый в настоящей работе теоретико-графовый алгоритм для анализа энергетики химических соединений основан на гомодесмическом подходе. В работе описаны основные этапы конструирования базисного набора гомодесмических реакций. Работа алгоритма проиллюстрирована на молекуле метилциклобутан. В разработанной программе для построения гомодесмических реакций использовался метод поиска в глубину DFS.
Application of the DFS Algorithm to the Homodesmic Analysis of Chemical Compounds
The graph-theoretic algorithm proposed in this work for the analysis of the energetics of chemical compounds is based on the homodesmic approach. The paper describes the main stages of constructing a basic set of homodesmic reactions. The operation of the algorithm is illustrated on the methylcyclobutane molecule. In the developed program for constructing homodesmic reactions, the DFS depth-first search method was used.
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