/** *{@inheritDoc} */ @Override public boolean isEmpty() { if (setOfMolecules != null && !setOfMolecules.isEmpty()) return false; if (setOfReactions != null && !setOfReactions.isEmpty()) return false; if (ringSet != null && !ringSet.isEmpty()) return false; if (crystal != null && !crystal.isEmpty()) return false; return true; } }
/** *{@inheritDoc} */ @Override public boolean isEmpty() { if (setOfMolecules != null && !setOfMolecules.isEmpty()) return false; if (setOfReactions != null && !setOfReactions.isEmpty()) return false; if (ringSet != null && !ringSet.isEmpty()) return false; if (crystal != null && !crystal.isEmpty()) return false; return true; } }
/** *{@inheritDoc} */ @Override public boolean isEmpty() { if (setOfMolecules != null && !setOfMolecules.isEmpty()) return false; if (setOfReactions != null && !setOfReactions.isEmpty()) return false; if (ringSet != null && !ringSet.isEmpty()) return false; if (crystal != null && !crystal.isEmpty()) return false; return true; } }
/** *{@inheritDoc} */ @Override public boolean isEmpty() { if (setOfMolecules != null && !setOfMolecules.isEmpty()) return false; if (setOfReactions != null && !setOfReactions.isEmpty()) return false; if (ringSet != null && !ringSet.isEmpty()) return false; if (crystal != null && !crystal.isEmpty()) return false; return true; } }
/** *{@inheritDoc} */ @Override public boolean isEmpty() { boolean res = true; if (setOfMolecules != null && !setOfMolecules.isEmpty()) res = false; if (setOfReactions != null && !setOfReactions.isEmpty()) res = false; if (ringSet != null && !ringSet.isEmpty()) res = false; if (crystal != null && !crystal.isEmpty()) res = false; logger.debug("Checking if chemModel is empty: ", res); return res; } }
@Test @Override public void testIsEmpty() { IRingSet ringSet = (IRingSet) newChemObject(); Assert.assertThat("new ringset should be empty", ringSet.isEmpty(), is(true)); ringSet.addAtomContainer(ringSet.getBuilder().newInstance(IAtomContainer.class)); Assert.assertThat("ringset with an atom container should not be empty", ringSet.isEmpty(), is(not(true))); ringSet.removeAllAtomContainers(); Assert.assertThat("ringset with removed atom containers should be empty", ringSet.isEmpty(), is(true)); }
private Map<IRingSet, IAtomContainer> getRingContainerCount(IAtomContainerSet acs) { CycleFinder cycles = or(all(), all()); Map<IRingSet, IAtomContainer> ringSet = new HashMap<>(); for (IAtomContainer ac : acs.atomContainers()) { IRingSet basicRings; try { Cycles rings = cycles.find(ac); basicRings = rings.toRingSet(); if (!basicRings.isEmpty()) { basicRings.setID(ac.getID()); ringSet.put(basicRings, ac); } } catch (Intractable ex) { LOGGER.error(SEVERE, null, ex); } } return ringSet; }