public DataTableCrystalDatabaseRow CreateRow(Crystal2 c)
{
var elementList = new StringBuilder();
foreach (var n in c.atoms.Select(a => a.AtomNo).Distinct())
{
elementList.Append($"{n:000} ");
}
var d = new float[8];
if (c.d != null)
{
Array.Copy(c.d, d, c.d.Length);
}
DataTableCrystalDatabaseRow dr;
try
{
rwlock.EnterWriteLock();
dr = NewDataTableCrystalDatabaseRow();
}
finally { rwlock.ExitWriteLock(); }
var(cellValues, _) = c.Cell;
dr.SerializedCrystal2 = serialize(c);
dr.Name = c.name;
dr.Formula = c.formula;
dr.Density = c.density;
dr.A = cellValues.A;
dr.B = cellValues.B;
dr.C = cellValues.C;
dr.Alpha = cellValues.Alpha;
dr.Beta = cellValues.Beta;
dr.Gamma = cellValues.Gamma;
dr.CrystalSystem = SymmetryStatic.StrArray[c.sym][16];//s.CrystalSystemStr;
dr.PointGroup = SymmetryStatic.StrArray[c.sym][13];
dr.SpaceGroup = SymmetryStatic.StrArray[c.sym][3];
dr.Authors = c.auth;
dr.Title = Crystal2.GetFullTitle(c.sect);
dr.Journal = Crystal2.GetFullJournal(c.jour);
dr.Elements = elementList.ToString();
dr.D1 = d[0];
dr.D2 = d[1];
dr.D3 = d[2];
dr.D4 = d[3];
dr.D5 = d[4];
dr.D6 = d[5];
dr.D7 = d[6];
dr.D8 = d[7];
return(dr);
}
public DataTableCrystalDatabaseRow CreateRow(Crystal2 c)
{
DataTableCrystalDatabaseRow dr;
lock (lockObj)
dr = NewDataTableCrystalDatabaseRow();
dr.SerializedCrystal2 = serialize(c);
dr.Name = c.name;
dr.Formula = c.formula;
dr.Density = c.density;
(dr.A, dr.B, dr.C, dr.Alpha, dr.Beta, dr.Gamma) = c.Cell.Values;
dr.CrystalSystem = SymmetryStatic.StrArray[c.sym][16];//s.CrystalSystemStr;
dr.PointGroup = SymmetryStatic.StrArray[c.sym][13];
dr.SpaceGroup = SymmetryStatic.StrArray[c.sym][3];
dr.Authors = c.auth;
dr.Title = Crystal2.GetFullTitle(c.sect);
dr.Journal = Crystal2.GetFullJournal(c.jour);
dr.Elements = string.Join(' ', c.atoms.Select(a => a.AtomNo).Distinct().Select(b => b.ToString("000")));
var d = ArrayPool <float> .Shared.Rent(8);
if (c.d != null)
{
Array.Copy(c.d, d, c.d.Length);
}
dr.D1 = d[0] * 10;
dr.D2 = d[1] * 10;
dr.D3 = d[2] * 10;
dr.D4 = d[3] * 10;
dr.D5 = d[4] * 10;
dr.D6 = d[5] * 10;
dr.D7 = d[6] * 10;
dr.D8 = d[7] * 10;
ArrayPool <float> .Shared.Return(d);
return(dr);
}