• Home
• com.actelion.research
• openchemlib
• 2023.10.1
• source code
• ScaffoldGroup.java

×

Project download

Many resources are needed to download a project. Please understand that we have to compensate our server costs. Thank you in advance.
Project price only 1 $

You can buy this project and download/modify it how often you want.

com.actelion.research.chem.sar.ScaffoldGroup Maven / Gradle / Ivy

package com.actelion.research.chem.sar;

import com.actelion.research.chem.Molecule;
import com.actelion.research.chem.StereoMolecule;

import java.util.ArrayList;

public class ScaffoldGroup extends ArrayList {
	private int mRGroupCount;
	private ExitVector[] mExitVector;

	protected ScaffoldGroup(StereoMolecule query) {
		super();
		mRGroupCount = -1;
		analyzeExitVectors(query);
	}

	private void analyzeExitVectors(StereoMolecule query) {
		ArrayList evList = new ArrayList<>();
		for (int atom=0; atom