From a90047977da5a635072f2833816726eaf721aa88 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 9 Nov 2016 10:03:46 +0100 Subject: CDK 2.0 --- java/CdkDescriptorInfo.java | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) (limited to 'java/CdkDescriptorInfo.java') 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 it = engine.getDescriptorInstances().iterator(); it.hasNext(); ) { IDescriptor descriptor = it.next(); -- cgit v1.2.3