static void Main(string[] args)
{
atom[] atoms = new atom[6500];
int counter = 0;
try
{ // Open the text file using a stream reader.
using (StreamReader sr = new StreamReader("../../../1kam.pdb"))
{
// Read the stream to a string, and write the string to the console.
while (sr.Peek() >= 0)
{
string line = sr.ReadLine();
if (line.Substring(0, 4) == "ATOM")
{
counter++;
atom temp = new atom();
temp.atomName = line.Substring(13,4);
temp.resName = line.Substring(17,3);
temp.resSeq = Int32.Parse(line.Substring(23, 4));
temp.xCoord = Decimal.Parse(line.Substring(31, 8));
temp.yCoord = Decimal.Parse(line.Substring(39, 8));
temp.zCoord = Decimal.Parse(line.Substring(47, 8));
atoms[counter] = temp;
Console.WriteLine("Atom # {0} name = {1} resName = {2} x={3} y={4} z={5}",counter, temp.atomName,temp.resName,temp.xCoord,temp.yCoord, temp.zCoord);
}
}
}
}
catch (Exception e)
{
Console.WriteLine("The file could not be read:");
Console.WriteLine(e.Message);
}
Console.ReadLine();
}
public readonly int AbsoluteNumber; // for ordering
public ClueId(atom word, int number, int absolute)
{
Word = word;
Number = number;
AbsoluteNumber = absolute;
}
public void insertAattribute(LinkedList list, atom X, string inputAtt)
{
X.attribute = Double.Parse(inputAtt);
list.Add(X);
}
static LinkedList input(StreamReader reader)
{
LinkedList list = new LinkedList();
string String, word = "", massString = "";
int mass;
bool atom = false, inorganic = false, organic = true, massCount = false;
while ((String = reader.ReadLine()) != null)
{
if (String.Length != 0)
{
for (int i = 0; i < String.Length; i++)
{
if (String[0] == '/')
{
break;
}
if ((Char.IsLetterOrDigit(String[i]) || String[i] == ',') && (massCount == false)) //счет digit
{
if (String[i] == ',')
{
atom = true; organic = false;
}
;
word += String[i];
}
else
{
if (String[i] == '-' || massCount == true)
{
massCount = true;
if (Char.IsDigit(String[i]))
{
if (massCount)
{
massString += String[i];
}
if (String[i + 1] == '*')
{
massCount = false;
}
}
}
else
{
if (Char.IsLetter(word[0]))
{
organic = false;
inorganic = true;
}
mass = int.Parse(massString);
if (inorganic)
{
inorganic_matter X = new inorganic_matter(mass);
X.insertAattribute(list, X, word);
}
if (atom)
{
atom X = new atom(mass);
X.insertAattribute(list, X, word);
}
if (organic)
{
organic_matter X = new organic_matter(mass);
X.insertAattribute(list, X, word);
}
word = "";
massString = "";
atom = false;
massCount = false;
organic = true;
inorganic = false;
}
}
}
}
}
return(list);
}
