/* * * Copyright (c) 2019 Greg Landrum * All rights reserved. * * This file is part of the RDKit. * The contents are covered by the terms of the BSD license * which is included in the file license.txt, found at the root * of the RDKit source tree. */ package org.RDKit; import static org.junit.Assert.*; import org.junit.*; public class RGroupDecompositionTests extends GraphMolTest { private ROMol mol; private ROMol m; @Before public void setUp() { } @Test public void test1Basics() { ROMol core = RWMol.MolFromSmiles("c1ccccc1"); RGroupDecomposition decomp = new RGroupDecomposition(core); m = RWMol.MolFromSmiles("c1(Cl)ccccc1"); assertEquals(0,decomp.add(m)); m = RWMol.MolFromSmiles("c1c(Cl)cccc1"); assertEquals(1,decomp.add(m)); assertTrue(decomp.process()); } public static void main(String args[]) { org.junit.runner.JUnitCore.main("org.RDKit.RGroupDecompositionTests"); } }