public virtual void TestAdd_IAtomContainer() { var container = new ConformerContainer(confs); base_.Title = "junk"; container.Add(base_); }
public virtual void TestAddAll_Collection() { var container = new ConformerContainer(confs); Assert.AreEqual(nconfs, container.Count()); Assert.IsTrue(container.Contains(container[3])); }
public virtual void TestContains_Object() { var container = new ConformerContainer(confs); Assert.AreEqual(nconfs, container.Count()); Assert.IsTrue(container.Contains(container[3])); }
public virtual void TestConformerContainer_arrayIAtomContainer() { var container = new ConformerContainer(confs); Assert.IsNotNull(container); Assert.AreEqual(nconfs, container.Count()); }
public virtual void TestConformerContainer_IAtomContainer() { var container = new ConformerContainer(base_); Assert.IsNotNull(container); Assert.AreEqual(1, container.Count()); }
public virtual void TestToArray() { var container = new ConformerContainer(confs); var array = (IAtomContainer[])container.ToArray(); Assert.AreEqual(nconfs, array.Length); }
public virtual void TestContains() { var container = new ConformerContainer(confs); var o = container[0]; Assert.IsTrue(container.Contains(o)); }
public virtual void TestClear() { var container = new ConformerContainer(confs); Assert.AreEqual(nconfs, container.Count()); container.Clear(); Assert.AreEqual(0, container.Count()); }
public virtual void TestSet_int_Object() { var container = new ConformerContainer(confs); int location = 5; container.Set(location, container[location + 1]); Assert.AreEqual(location, container.IndexOf(container[location + 1])); }
public virtual void TestIndexOf_IAtomContainer() { var container = new ConformerContainer(confs); var ac = container[2]; var index = container.IndexOf(ac); Assert.AreEqual(2, index); }
static PharmacophoreUtilityTest() { var filename = "NCDK.Data.MDL.pcoretest1.sdf"; var ins = ResourceLoader.GetAsStream(filename); var reader = new EnumerableMDLConformerReader(ins, ChemObjectBuilder.Instance); conformers = reader.FirstOrDefault(); }
public virtual void TestGet2() { var container = new ConformerContainer(confs); for (var i = 0; i < container.Count + 1; i++) { var dummy = container[i]; } }
public virtual void TestLastIndexOf_Object() { var container = new ConformerContainer(confs); Assert.AreEqual(nconfs, container.Count()); int x = container.LastIndexOf(container[3]); Assert.AreEqual(3, container.LastIndexOf(container[3])); }
public virtual void TestAdd_Object() { var container = new ConformerContainer(); Assert.IsNotNull(container); foreach (var conf in confs) { container.Add(conf); } Assert.AreEqual(nconfs, container.Count()); }
public virtual void TestContainsAll_Collection() { var container = new ConformerContainer(confs); Assert.IsNotNull(container); Assert.AreEqual(nconfs, container.Count()); foreach (var e in container) { Assert.IsTrue(container.Contains(e)); } }
public virtual void TestIterator2() { var container = new ConformerContainer(confs); int nmol = 0; foreach (var conf in container) { nmol++; } Assert.AreEqual(nconfs, nmol); }
static PharmacophoreMatcherTest() { var filename = "NCDK.Data.MDL.pcoretest1.sdf"; var ins = ResourceLoader.GetAsStream(filename); var reader = new EnumerableMDLConformerReader(ins, CDK.Builder).GetEnumerator(); if (reader.MoveNext()) { conformers = (ConformerContainer)reader.Current; } }
public virtual void TestRemove_Object() { ConformerContainer cContainer = new ConformerContainer(confs); Assert.AreEqual(nconfs, cContainer.Count()); IAtomContainer container = cContainer[3]; Assert.IsTrue(cContainer.Contains(container)); cContainer.Remove(container); Assert.AreEqual(nconfs - 1, cContainer.Count()); Assert.IsFalse(cContainer.Contains(container)); }
public virtual void TestRemoveAll_Collection() { var container = new ConformerContainer(confs); Assert.IsNotNull(container); Assert.AreEqual(nconfs, container.Count()); foreach (var e in container) { container.Remove(e); } Assert.AreEqual(0, container.Count()); }
public virtual void TestIndexOf_Object() { var container = new ConformerContainer(confs); Assert.IsNotNull(container); int counter = 0; foreach (var conf in confs) { Assert.AreEqual(counter, container.IndexOf(conf)); counter++; } }
public virtual void TestConformerContainer() { var container = new ConformerContainer(); Assert.IsNotNull(container); base_.Title = "myMolecule"; container.Add(base_); Assert.AreEqual(1, container.Count()); foreach (var conf in confs) { container.Add(conf); } Assert.AreEqual(nconfs + 1, container.Count()); }
public virtual void TestRemove_int() { var container = new ConformerContainer(confs); container.Clear(); Assert.AreEqual(0, container.Count()); for (int i = 0; i < nconfs; i++) { container.Add(confs[i]); } Assert.AreEqual(nconfs, container.Count()); container.RemoveAt(0); Assert.AreEqual(nconfs - 1, container.Count()); }
public virtual void TestAdd_int_IAtomContainer() { ConformerContainer container = new ConformerContainer(confs); container.Insert(5, confs[5]); }
public virtual void TestGetTitle() { var container = new ConformerContainer(confs); Assert.AreEqual("myMolecule", container.Title); }
public virtual void TestIsEmpty() { var container = new ConformerContainer(confs); Assert.IsTrue(!container.IsEmpty()); }
public virtual void TestGet_int() { var container = new ConformerContainer(confs); var dummy = container[100]; }
public virtual void TestAdd_int_Object() { var container = new ConformerContainer(confs); container.Insert(5, confs[5]); }
public virtual void TestSize() { ConformerContainer container = new ConformerContainer(confs); Assert.AreEqual(nconfs, container.Count()); }