Others (CDK calculation: I don't know ...)

What is this article?

What? A failed work. I feel like I'm halfway through.

I'd like to run a jar file for descriptor calculation called CDK, but I can't find the manual and I don't know how to specify the descriptor individually.

So, I read the source, but I don't understand why it doesn't work. The story.

I went halfway, so continue ... sleep ... zzz

memorandum

I'm sorry, I complained from the beginning. In a nutshell, "I don't know the format for reading Java XML."

Source

... Ah, it's a license for people who make CDKs, so only a part of it.

    String value = desc.getFirstChildElement("selected").getValue();
    Boolean isSelected = value.equals("true");

Handwritten XML

<root>
	<descriptorList>
		<data spec="nAromRings">
			<selected>TRUE</selected>
		</data>
		<data spec="apol">
			<selected>true</selected>
		</data>
	</descriptorList>
</root>

No? Now, if you change "selected" to "sssselected", you will get a jar execution error, so I'm sure you're going to see this part ...

After that, I set it to True, TRUE, 1 ... I set it to'true', but it's no good. whatever. again···