import jp.dbcls.togows.soap.*; public class KeggSearchDrugsBySubcomp { public static void main(String[] args) { try { String mol = get_mol(); int offset = 1; int limit = 5; TogowsKeggService service = new TogowsKeggServiceLocator(); TogowsKeggPort stub = service.getTogowsKeggPort(); StructureAlignment[] result = stub.keggSearchDrugsBySubcomp(mol, offset, limit); for (int i = 0; i < result.length; i++) { System.out.println("target_id: " + result[i].getTarget_id()); System.out.println("score: " + result[i].getScore()); System.out.println("query_nodes:"); int[] queryNodes = result[i].getQuery_nodes(); for (int j = 0; j < queryNodes.length; j++) { System.out.println(" " + queryNodes[j]); } System.out.println("target_nodes:"); int[] targetNodes = result[i].getTarget_nodes(); for (int j = 0; j < targetNodes.length; j++) { System.out.println(" " + targetNodes[j]); } } } catch (Exception e) { e.printStackTrace(); } } private static String get_mol() { // result of bget("-f m dr:D00201") StringBuffer sb = new StringBuffer(); sb.append(" \n"); sb.append(" \n"); sb.append(" \n"); sb.append(" 34 37 0 0 1 0 0 0 0 0999 V2000\n"); sb.append(" 26.1736 -17.5845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n"); sb.append(" 26.1561 -18.9842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n"); sb.append(" 24.9730 -16.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 27.3977 -16.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n"); sb.append(" 24.9438 -19.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 27.3568 -19.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 26.1385 -20.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 23.7548 -17.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n"); sb.append(" 28.5925 -17.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 27.4152 -15.5052 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0\n"); sb.append(" 23.7431 -18.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 24.9378 -21.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 28.5750 -19.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 27.4034 -21.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 22.5424 -16.8582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n"); sb.append(" 29.8166 -16.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 28.6393 -14.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 26.2146 -14.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 22.5307 -19.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 29.7756 -19.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 21.3301 -17.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 22.5482 -15.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 21.3241 -18.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 22.5307 -21.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 30.9997 -19.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 29.7581 -21.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 20.1177 -16.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 20.1177 -19.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 18.8995 -17.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 18.8995 -18.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 20.1234 -21.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 26.1619 -16.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 23.7431 -16.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 21.3300 -16.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"); sb.append(" 1 2 1 0 0 0\n"); sb.append(" 1 3 1 0 0 0\n"); sb.append(" 1 4 1 0 0 0\n"); sb.append(" 2 5 1 0 0 0\n"); sb.append(" 2 6 1 0 0 0\n"); sb.append(" 2 7 1 6 0 0\n"); sb.append(" 3 8 1 0 0 0\n"); sb.append(" 4 9 1 0 0 0\n"); sb.append(" 4 10 1 6 0 0\n"); sb.append(" 5 11 2 0 0 0\n"); sb.append(" 5 12 1 0 0 0\n"); sb.append(" 6 13 1 0 0 0\n"); sb.append(" 6 14 2 0 0 0\n"); sb.append(" 8 15 1 0 0 0\n"); sb.append(" 9 16 1 0 0 0\n"); sb.append(" 10 17 1 0 0 0\n"); sb.append(" 10 18 1 0 0 0\n"); sb.append(" 11 19 1 0 0 0\n"); sb.append(" 13 20 1 0 0 0\n"); sb.append(" 15 21 1 0 0 0\n"); sb.append(" 15 22 1 6 0 0\n"); sb.append(" 19 23 1 0 0 0\n"); sb.append(" 19 24 2 0 0 0\n"); sb.append(" 20 25 1 0 0 0\n"); sb.append(" 20 26 2 0 0 0\n"); sb.append(" 21 27 2 0 0 0\n"); sb.append(" 23 28 2 0 0 0\n"); sb.append(" 27 29 1 0 0 0\n"); sb.append(" 28 30 1 0 0 0\n"); sb.append(" 28 31 1 0 0 0\n"); sb.append(" 8 11 1 0 0 0\n"); sb.append(" 9 13 2 0 0 0\n"); sb.append(" 21 23 1 0 0 0\n"); sb.append(" 29 30 2 0 0 0\n"); sb.append(" 1 32 1 6 0 0\n"); sb.append(" 8 33 1 6 0 0\n"); sb.append(" 15 34 1 1 0 0\n"); sb.append("M END\n"); return sb.toString(); } }