MOLECULAR TYPE CONSTRUCTION APPARATUS, CONTROL METHOD THEREFOR, MOLECULAR TYPE CONSTRUCTION CONTROL PROGRAM AND COMPUTER-READABLE RECORDING MEDIUM

摘要

PROBLEM TO BE SOLVED: To realize a molecular type construction apparatus capable of constructing a molecular formula free from contradictions in atomic bonds, on the basis of the molecular weight.;SOLUTION: An atomic group composition acquiring part 6 is constituted so as to calculate an atomic group composition, on the basis of the mass number data being the data allowing the atomic groups stored in a memory part 2 and the mass numbers thereof to correspond to each other so that the sum total of all of the contained atomic groups and the mass numbers thereof satisfy a given molecular weight. A bonding contradiction determining part 7 is constituted so as to acquire the bonding order of all of the atomic groups contained in the atomic group composition, with respect to the atomic group composition obtained by the atomic group composition acquiring part 6 from the bonding order data that are data, where the bonding order the atomic groups stored in the memory part 2 and the bond order thereof are allowed to correspond to each other, to determine where there is contradiction in bonding in all the atomic groups contained in the atomic group composition, on the basis of the acquired bonding order. The molecular formula construction part 8 constructs the molecular formula, from the atomic group composition that has been decided as being free of contradictions in bonding by the bonding contradiction determining part 7.;COPYRIGHT: (C)2007,JPO&INPIT