| プログラム番号 | P080 |
|---|---|
| プロクラム名 | CIS.5-CIS.8. INDESET |
| 著者 | Serge S. Tratch, Acad. N.S.Zefirov |
| 所属と連絡先 | Chem. Dept., Moscow State Univertity, Leninskiye Gori, Moscow 119899, Russia.，Tel: (095) 9391620Fax: (7-095) 9390290E‐mail: zefirov@mch.chem.msu.su |
| 概 要 | Stand-alone subprograms CIS (No. 5-8) contain the highly optimized decomposition algorithm [suggested by Hosoya in Bull.Chem.Soc.Jpn., 1971, 44, 2332] for computing of Merrifield-Simmons and Hosoya indices and corresponding polynomials. The numbers of k‐node and k‐line inependent sets [values of q(G,k) and p(G,k)] are calculated nonrecursively; no intermediate graphs are formed in memory. The comparsion of excution times for CIS. 8. with other programs (presented in README. ASC) shows suggested implementations of decomposition algorithm to be the most effective. The subprograms can be inserted into any GWBASIC or QUICK‐BASIC program, or easily translated into other languages. The programs INDESET (.BAS and .EXE) demonstrate the work of subprograms CIS for a molecular graph, having been introduced interactively with a simple graphical editor. |
| 参考文献 | S.S.Tratch, in "Logic‐Combinatorial Methods for Design Problems of Organic Structures, Reactions and Configurations" (v. II, chapter 13), Dissertation Thesis, Moscow, 1993 |
| 使用言語 | QUICK‐BASIC Version 4.0, MS-DOS version 3.3 |
| プログラムの大きさ | |
| ハードウェア | IBM‐PC XT/AT and Compatibles. |
| プログラム性能上の制限 | Up to 80 atoms for DEMO-programs INDESET. For subprograms CIS.5-CIS.8 maximal numbers of atoms and decomposition level depend only on internal performance of a computer; memory requirements depend on number of nodes and lines but not on the complexity of a graph. |
| 改訂版製作責任者 | Serge S. Tratch, supported by Acad. N.S.Zefirov; Chem. Dept., Moscow State Univertity, Leninskiye Gori, Moscow 119899, Russia.，Tel: (095) 9391620Fax: (7-095) 9390290E‐mail: zefirov@mch.chem.msu.su |
| 媒 体 | Floppy disk (initialized with MS-DOS, 5.25″) |
| 頒布価格 | Materials (a),(b)-1,000 yen (no royalty) Materials (a),(b),(c),(d)-2,500 yen (1,500 yen royalty) |
| 付 記 | (a).README. ASC-English manual for INDESET (5 pages A4 size) (b).INDESET. EXE-executable file for mouses compatible with GM-6 (c).INDESET. BAS-source file (mouse excluded) (d).CIS 5-8. BAS-text of stands-alone subprograms with recommendations on how they can be inserted into any user's program. |