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author | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:43:43 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:43:43 +0200 |
commit | 1a56148aadef031c4f487bc23fda43f4ac5b7369 (patch) | |
tree | 3555c5883ed0c292b105c40c185ebba3e5bd4e3e /java/CdkDescriptorInfo.java | |
parent | 394d564699756288569169ff3e198d6d7702f092 (diff) | |
parent | e3217075b602a950a0ee995fcfa731d97b5ba3eb (diff) |
new master branch
Diffstat (limited to 'java/CdkDescriptorInfo.java')
-rw-r--r-- | java/CdkDescriptorInfo.java | 22 |
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+"\""); + } + } + } +} |