private void importFormTESTToolStripMenuItem_Click(object sender, EventArgs e)
{
TestResults test = null;
try
{
test = new TestResults();
}
catch (Exception)
{
return;
}
test.ShowDialog();
string filepath = test.FilePath;
if (string.IsNullOrEmpty(filepath))
{
return;
}
molecule = ChemInfo.MoleFileReader.ReadMoleFile(test.FilePath);
this.dataGridView1.Rows.Clear();
this.moleculeViewer1.Molecule = molecule;
this.propertyGrid1.SelectedObject = this.molecule;
foreach (System.Data.DataRow dr in app_functionalgroup.Rows)
{
string smarts = dr["Smarts"].ToString();
if (!string.IsNullOrEmpty(smarts))
{
this.molecule.FindFunctionalGroup(dr);
}
}
this.textBox1.Text = Newtonsoft.Json.JsonConvert.SerializeObject(this.molecule, Newtonsoft.Json.Formatting.Indented);
foreach (string group in this.molecule.FunctionalGroups)
{
this.functionalGroupComboBox.Items.Add(group);
}
}
private void importFormTESTToolStripMenuItem_Click(object sender, EventArgs e)
{
TestResults test = null;
try
{
test = new TestResults();
}
catch (Exception)
{
return;
}
test.ShowDialog();
string filepath = test.FilePath;
if (string.IsNullOrEmpty(filepath))
{
return;
}
molecule = ChemInfo.MoleFileReader.ReadMoleFile(test.FilePath);
this.listBox1.Items.Clear();
this.moleculeViewer1.Molecule = molecule;
}
