Mmff { public void clearProps(IAtomContainer mol) { mol.removeProperty(MMFF_EDGEMAP_CACHE); mol.removeProperty(MMFF_ADJLIST_CACHE); for (IBond bond : mol.bonds()) bond.removeProperty(MMFF_AROM); }  boolean assignAtomTypes(IAtomContainer mol); boolean effectiveCharges(IAtomContainer mol); boolean partialCharges(IAtomContainer mol); void clearProps(IAtomContainer mol);  }
@Test public void clearProps() throws InvalidSmilesException { IAtomContainer mol = loadSmi("o1cccc1"); int sizeBefore = mol.getProperties().size(); assertTrue(mmff.assignAtomTypes(mol)); assertTrue(mmff.partialCharges(mol)); mmff.clearProps(mol); assertThat(mol.getProperties().size(), is(sizeBefore)); }