public void TestReading()
{
var filename = "NCDK.Data.VASP.LiMoS2_optimisation_ISIF3.vasp";
Trace.TraceInformation("Testing: " + filename);
var ins = ResourceLoader.GetAsStream(filename);
var reader = new VASPReader(ins);
var chemFile = reader.Read(builder.NewChemFile());
Assert.IsNotNull(chemFile);
var sequence = chemFile[0];
Assert.IsNotNull(sequence);
Assert.AreEqual(6, sequence.Count);
var model = sequence[0];
Assert.IsNotNull(model);
var crystal = model.Crystal;
Assert.IsNotNull(crystal);
Assert.AreEqual(16, crystal.Atoms.Count);
var atom = crystal.Atoms[0];
Assert.IsNotNull(atom);
Assert.IsNotNull(atom.FractionalPoint3D);
}
public void TestAccepts()
{
var reader = new VASPReader(new StringReader(""));
Assert.IsTrue(reader.Accepts(typeof(IChemFile)));
}