private void loadInput()
{
if (!File.Exists(textBox1.Text))
{
MessageBox.Show("Not a valid file! \"" + textBox1.Text + "\" does not exist. Please try again.");
}
else
{
this.tableLayoutPanel1.SuspendLayout();
IndigoObject savedStrut = XmlSaver.decryptIndigo(_indigo, openFileDialog1.FileName);
_chemStructures.Add(savedStrut);
_rules = XmlSaver.readRules(openFileDialog1.FileName);
renderMolecule(_chemStructures[0]);
tableLayoutPanel1.Controls.Clear();
tableLayoutPanel1.RowStyles.Clear();
tableLayoutPanel1.ColumnStyles.Clear();
tableLayoutPanel1.RowCount = 0;
tableLayoutPanel1.ColumnCount = 0;
tableLayoutPanel1.Controls.Clear();
//Load R groups
int i = 0;
foreach (IndigoObject rgroup in _chemStructures[0].iterateAtoms())
{
if (rgroup.symbol().Equals("R"))
{
Label temp = new Label();
temp.Name = rgroup.index().ToString();
temp.Text = "Mass at R # " + rgroup.index();
rlabels.Add(temp);
GenericGroup rGroup = new GenericGroup();
TextBox temp2 = new TextBox();
temp2.Name = rgroup.index().ToString();
temp2.Text = "<Input Mass at R # " + rgroup.index() + ">";
temp2.Width = 150;
rGroup.interfaceText = temp2;
rGroup.index = rgroup.index();
rmasses.Add(rGroup);
tableLayoutPanel1.Controls.Add(rlabels.Last(), 0 /* Column Index */, i /* Row index */);
tableLayoutPanel1.Controls.Add(rmasses.Last().interfaceText, 1 /* Column Index */, i /* Row index */);
i++;
//rGrpINdex to help save stuff
rGrpIndex.Add(rgroup.index());
}
}
Console.WriteLine(i);
if (i == 0)
{
Label temp = new Label();
temp.Text = "No R Groups Found. ";
tableLayoutPanel1.Controls.Add(temp, 0 /* Column Index */, i /* Row index */);
}
this.tableLayoutPanel1.ResumeLayout();
this.Refresh();
}
}
//Edit dialogue.
private void Button2_Click(object sender, EventArgs e)
{
Indigo _indigo = new Indigo();
IndigoObject savedStrut = XmlSaver.decryptIndigo(_indigo, openFileDialog1.FileName);
List <IndigoObject> chemStructures = new List <IndigoObject>();
chemStructures.Add(savedStrut);
List <fragmentationRule> _rules = XmlSaver.readRules(openFileDialog1.FileName);
TemplateBuilder g = new TemplateBuilder(chemStructures, _indigo, _rules);
g.ShowDialog();
this.Close();
}
