diff options
| author | Christoph Helma <helma@in-silico.ch> | 2016-11-09 10:03:46 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-11-09 10:03:46 +0100 |
| commit | a90047977da5a635072f2833816726eaf721aa88 (patch) | |
| tree | 6aa5e5424f6847400efa1c8c2598983d8228dc80 /java/CdkDescriptorInfo.java | |
| parent | 7bd244b35d2e2059baf1fa535dca854999b5da75 (diff) | |
CDK 2.0
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(); |