private void MoveRoutine()
{
string destination = Path.Combine(Directory.GetCurrentDirectory(), "out");
string structOutFolder = structList.GetCurrentInfo().Name;
Directory.CreateDirectory(Path.Combine(destination, structOutFolder));
string finalDestination = Path.Combine(destination, structOutFolder);
}
public bool SaveSettings(int exhaust, int num_modes)
{
try
{
if (File.Exists(confPath))
{
List <string> contents = new List <string>();
using (StreamReader sr = new StreamReader(confPath))
{
string curLine;
while ((curLine = sr.ReadLine()) != null)
{
if (curLine != String.Empty)
{
contents.Add(curLine);
}
}
for (int i = 0; i < contents.Count; i++)
{
if (i == 0)
{
contents[0] = String.Format("receptor = {0}", findProtein());
}
if (i == 1)
{
contents[1] = String.Format("ligand = {0}", structList.GetCurrentInfo().Name);
}
if (i == 9)
{
contents[9] = String.Format("exhaustiveness = {0}", exhaust);
}
if (i == 10)
{
contents[10] = String.Format("num_modes = {0}", num_modes);
}
}
}
using (StreamWriter sw = new StreamWriter(confPath))
{
for (int i = 0; i < contents.Count; i++)
{
sw.WriteLine(contents[i]);
}
}
return(true);
}
}
catch (IOException e)
{
// Leave blank for now
}
return(false);
}