diff options
| author | gebele <gebele@in-silico.ch> | 2016-12-12 09:15:48 +0000 |
|---|---|---|
| committer | gebele <gebele@in-silico.ch> | 2016-12-12 09:15:48 +0000 |
| commit | da086fad5b45c0d7b59feb40d0108ac620613933 (patch) | |
| tree | 7e9cf8c9332e30552ab255ee9b30e04e904977b4 /java/CdkDescriptorInfo.java | |
| parent | 32a16d99b51642cac8e75f90c43753d8d05ab770 (diff) | |
| parent | 4570f11444bc10da88d849e9a2812e95a8933c8a (diff) | |
merged development
Diffstat (limited to 'java/CdkDescriptorInfo.java')
| -rw-r--r-- | java/CdkDescriptorInfo.java | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/java/CdkDescriptorInfo.java b/java/CdkDescriptorInfo.java index 73a65ac..296c93d 100644 --- a/java/CdkDescriptorInfo.java +++ b/java/CdkDescriptorInfo.java @@ -1,11 +1,12 @@ import java.util.*; -import org.openscience.cdk.qsar.descriptors.molecular.*; +import org.openscience.cdk.DefaultChemObjectBuilder; import org.openscience.cdk.qsar.*; +//import org.openscience.cdk.qsar.descriptors.molecular.*; class CdkDescriptorInfo { public static void main(String[] args) { - DescriptorEngine engine = new DescriptorEngine(DescriptorEngine.MOLECULAR); + DescriptorEngine engine = new DescriptorEngine(IMolecularDescriptor.class,null); for (Iterator<IDescriptor> it = engine.getDescriptorInstances().iterator(); it.hasNext(); ) { IDescriptor descriptor = it.next(); |