public static SpaceGroup IdentifyGroup(SymmetryList syms)
{
for (int i = 230; i >= 1; i--)
{
SpaceGroup test = mGroups[i];
bool found = true;
foreach (var sym in test.PrimitiveSymmetries)
{
if (syms.Contains(sym) == false)
{
found = false;
}
}
if (found)
{
test.GenerateSymmetries();
return(test);
}
}
// return lowest symmetry group.
mGroups[1].GenerateSymmetries();
return(mGroups[1]);
}
public SpaceGroup Clone()
{
SpaceGroup retval = new SpaceGroup();
retval.Number = Number;
retval.Name = Name;
retval.Symmetries = Symmetries.Clone();
retval.PrimitiveSymmetries = PrimitiveSymmetries.Clone();
return(retval);
}
static void Initialize()
{
if (init)
return;
init = true;
InitializeRegex();
string groups = Properties.Resources.spgroup;
using (StringReader r = new StringReader(groups))
{
for (; ; )
{
string groupName = r.ReadLine().Trim();
int number;
if (groupName.EndsWith("&"))
break;
if (int.TryParse(groupName.Substring(1, groupName.Length - 2), out number) == false)
{
throw new Exception();
}
SpaceGroup sp = new SpaceGroup();
sp.Number = number;
for (; ; )
{
if (r.Peek() == '/')
break;
string text = r.ReadLine();
int lastColon = text.IndexOf(":", 8);
var sym = ParseSymmetry(text);
sym.Name = text.Substring(lastColon + 1).Trim();
if (sym.Value.IsIdentity)
continue;
if (mPrimitiveSymmetries.Contains(sym) == false)
mPrimitiveSymmetries.Add(sym);
sp.PrimitiveSymmetries.Add(sym);
}
mGroups.Add(number, sp);
}
}
using (StringReader r = new StringReader(Properties.Resources.spnames))
{
for (; ; )
{
string text = r.ReadLine();
if (text == "&")
break;
string[] vals = text.Split('-');
int number = int.Parse(vals[0]);
string name = vals[1].Trim();
mGroups[number].Name = name;
}
}
}
public SpaceGroup Clone()
{
SpaceGroup retval = new SpaceGroup();
retval.Number = Number;
retval.Name = Name;
retval.Symmetries = Symmetries.Clone();
retval.PrimitiveSymmetries = PrimitiveSymmetries.Clone();
return retval;
}
static void Initialize()
{
if (init)
{
return;
}
init = true;
InitializeRegex();
string groups = Properties.Resources.spgroup;
using (StringReader r = new StringReader(groups))
{
for (; ;)
{
string groupName = r.ReadLine().Trim();
int number;
if (groupName.EndsWith("&"))
{
break;
}
if (int.TryParse(groupName.Substring(1, groupName.Length - 2), out number) == false)
{
throw new Exception();
}
SpaceGroup sp = new SpaceGroup();
sp.Number = number;
for (; ;)
{
if (r.Peek() == '/')
{
break;
}
string text = r.ReadLine();
int lastColon = text.IndexOf(":", 8);
var sym = ParseSymmetry(text);
sym.Name = text.Substring(lastColon + 1).Trim();
if (sym.Value.IsIdentity)
{
continue;
}
if (mPrimitiveSymmetries.Contains(sym) == false)
{
mPrimitiveSymmetries.Add(sym);
}
sp.PrimitiveSymmetries.Add(sym);
}
mGroups.Add(number, sp);
}
}
using (StringReader r = new StringReader(Properties.Resources.spnames))
{
for (; ;)
{
string text = r.ReadLine();
if (text == "&")
{
break;
}
string[] vals = text.Split('-');
int number = int.Parse(vals[0]);
string name = vals[1].Trim();
mGroups[number].Name = name;
}
}
}