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code cleanup, more testing

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This commit is contained in:
Greg Landrum
2008-03-18 16:35:25 +00:00
parent 900e499ff9
commit dc4e960587
5 changed files with 104 additions and 37 deletions
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6
Code/Demos/SWIG/java_example/main.java
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@@ -27,9 +27,9 @@ public class main {
System.out.println("atom: " + mol.getAtomWithIdx(0).getAtomicNum());
System.out.println("bond: " + mol.getBondWithIdx(0).getIdx());
System.out.println("bond: " + mol.getBondWithIdx(0).getBondType());
System.out.println("hss: " + RDKFuncs.hasSubstructMatch(mol,RDKFuncs.MolFromSmarts("c")));
System.out.println("hss: " + RDKFuncs.hasSubstructMatch(mol,RDKFuncs.MolFromSmarts("C")));
System.out.println("hss: " + RDKFuncs.hasSubstructMatch(mol,RDKFuncs.MolFromSmarts("C")));
System.out.println("hss: " + mol.hasSubstructMatch(RDKFuncs.MolFromSmarts("c")));
System.out.println("hss: " + mol.hasSubstructMatch(RDKFuncs.MolFromSmarts("C")));
System.out.println("hss: " + mol.hasSubstructMatch(RDKFuncs.MolFromSmarts("C")));
RingInfo rI= mol.getRingInfo();
System.out.println("ri: " + rI.isAtomInRingOfSize(0,6) + " " + rI.isAtomInRingOfSize(0,5) );
}