blob: 296c93d623fef45735370365bfeeedcdaee8043f (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
|
import java.util.*;
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(IMolecularDescriptor.class,null);
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+"\"");
}
}
}
}
|