Computer experiment is one of the most significant tools today, especially in areas with a large gap between the theory and experiment. The field of physical chemistry and metallurgy is the most striking example among such areas. The goals of IMS «MD_SLAGMELT» project are to construct chemical processes, to extract properties and results, obtained during a computer experiment, and to provide a remote access to such results. The main purpose is the development of the methods of converting data from a text into a relational format during computer experiments, and the development of algorithms and tools they correspond for IMS «MD_SLAGMELT» project. As a result of the project conduction the following functional tasks have been implemented: - transferring of thermodynamic characteristics, energy parameters, kinetic coefficients of a computer experiment into the database; - checking *.DAT files for generation errors; - transferring the results of previous experiments into the database; - developing a report in *.xls; - forming a program for the current settings of the database. The developed software allows transferring complex structured data results of computer experiments in physical chemistry from the text format to the relational one for IMS «MD_SLAGMELT». The existing approaches to reading data from text files were presented, the optimal of which was selected, based on the conditions of the task specification software system, especially the storage format of the results. In addition, some other techniques were presented: transfer characteristics approach in a relational database,and a technique of debugging information in order to verify an integrity of the structure of final results of an experiment. During the application of “Processing program of complex-structured data for scientific experiment in IMS «MD_SLAGMELT»” software its functionality was tested on the main server of the project. The obtained results provide a higher level of IMS «MD_SLAGMELT» project automation, intermediate inspections of the output files’ formation standards and reports in the specified range of structures for the given temperature (dependence of the structure on the property).
«MD_SLAGMELT»
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