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authorChristoph Helma <helma@in-silico.ch>2015-08-15 11:52:18 +0200
committerChristoph Helma <helma@in-silico.ch>2015-08-15 11:52:18 +0200
commit9a5b7b1bfb352b3a6555babe8bc2344414f66185 (patch)
tree52546698cd6f77ce72bfc0684021f3f439a4496d /java/CdkDescriptorInfo.java
parent81a2454a9abde6bb79793eb4c72e4a8725f5fe7f (diff)
java libraries added
Diffstat (limited to 'java/CdkDescriptorInfo.java')
-rw-r--r--java/CdkDescriptorInfo.java22
1 files changed, 22 insertions, 0 deletions
diff --git a/java/CdkDescriptorInfo.java b/java/CdkDescriptorInfo.java
new file mode 100644
index 0000000..73a65ac
--- /dev/null
+++ b/java/CdkDescriptorInfo.java
@@ -0,0 +1,22 @@
+import java.util.*;
+import org.openscience.cdk.qsar.descriptors.molecular.*;
+import org.openscience.cdk.qsar.*;
+
+class CdkDescriptorInfo {
+ public static void main(String[] args) {
+
+ DescriptorEngine engine = new DescriptorEngine(DescriptorEngine.MOLECULAR);
+
+ for (Iterator<IDescriptor> it = engine.getDescriptorInstances().iterator(); it.hasNext(); ) {
+ IDescriptor descriptor = it.next();
+ String cdk_class = descriptor.getClass().toString().replaceAll("class ","");
+ System.out.println("- :java_class: \""+cdk_class+"\"");
+ String description = engine.getDictionaryDefinition(cdk_class).replaceAll("^\\s+", "" ).replaceAll("\\s+$", "").replaceAll("\\s+", " ");
+ System.out.println(" :description: \""+description+"\"");
+ System.out.println(" :names:");
+ for (String name : descriptor.getDescriptorNames()) {
+ System.out.println(" - \""+name+"\"");
+ }
+ }
+ }
+}