private void SwitchToMulti_OnClick(object sender, RoutedEventArgs e)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
if (!_loading)
{
object obj = ExecuteJavaScript("GetJSON");
if (obj != null)
{
string mol = obj.ToString();
if (!string.IsNullOrEmpty(mol))
{
JSONConverter jc = new JSONConverter();
Model.Model model = jc.Import(mol);
StructureJson = jc.Export(model);
SwapMode();
}
}
}
}
catch (Exception ex)
{
new ReportError(Telemetry, TopLeft, module, ex).ShowDialog();
}
}
private void EditorHost_Load(object sender, EventArgs e)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
Cursor.Current = Cursors.WaitCursor;
if (TopLeft.X != 0 && TopLeft.Y != 0)
{
Left = (int)TopLeft.X;
Top = (int)TopLeft.Y;
}
CMLConverter cc = new CMLConverter();
JSONConverter jc = new JSONConverter();
Model.Model model = cc.Import(_cml);
WpfChemDoodle editor = new WpfChemDoodle();
editor.Telemetry = Telemetry;
editor.ProductAppDataPath = ProductAppDataPath;
editor.UserOptions = UserOptions;
editor.TopLeft = TopLeft;
editor.StructureJson = jc.Export(model);
editor.IsSingleMolecule = model.Molecules.Count == 1;
editor.AverageBondLength = model.MeanBondLength;
editor.InitializeComponent();
elementHost1.Child = editor;
editor.OnButtonClick += OnWpfButtonClick;
this.Show();
Application.DoEvents();
}
private void MainWindow_OnClosing(object sender, CancelEventArgs e)
{
if (Editor.IsDirty)
{
var jsonConvertor = new JSONConverter();
var temp = Editor.ActiveViewModel.Model.Copy();
temp.RescaleForCml();
string jsonString = jsonConvertor.Export(temp);
var jc = Newtonsoft.Json.JsonConvert.DeserializeObject(jsonString);
var fg = _functionalGroups.FirstOrDefault(f => f.Name.Equals(_lastFunctionalGroup));
if (fg != null)
{
fg.Expansion = jc;
}
}
List <FunctionalGroup> listOfGroups = new List <FunctionalGroup>();
foreach (var group in _functionalGroups)
{
listOfGroups.Add(group);
}
string json = JsonConvert.SerializeObject(listOfGroups,
Formatting.Indented,
new JsonSerializerSettings
{
DefaultValueHandling = DefaultValueHandling.Ignore
});
Clipboard.SetText(json);
MessageBox.Show("Results on Clipboard !");
}
private void Groups_OnSelectionChanged(object sender, SelectionChangedEventArgs e)
{
var jsonConvertor = new JSONConverter();
if (Groups.SelectedItem is FunctionalGroup fg)
{
if (!string.IsNullOrEmpty(_lastFunctionalGroup))
{
if (Editor.IsDirty)
{
var temp = Editor.ActiveViewModel.Model.Copy();
temp.RescaleForCml();
string expansion = jsonConvertor.Export(temp, true);
var fge = _functionalGroups.FirstOrDefault(f => f.Name.Equals(_lastFunctionalGroup));
fge.Expansion = expansion;
}
}
_lastFunctionalGroup = fg.ToString();
if (fg.Expansion == null)
{
var model = jsonConvertor.Import("{'a':[{'l':'" + fg.Name + "','x':0,'y':0}]}");
Editor.SetModel(model);
}
else
{
string groupJson = JsonConvert.SerializeObject(fg.Expansion);
var model = jsonConvertor.Import(groupJson);
Editor.SetModel(model);
}
}
}
private void ExportAs_SelectedIndexChanged(object sender, EventArgs e)
{
if (lastModel != null)
{
string result = string.Empty;
switch (ExportAs.SelectedIndex)
{
case 1:
var cmlConverter = new CMLConverter();
result = cmlConverter.Export(lastModel);
break;
case 2:
var sdFileConverter = new SdFileConverter();
result = sdFileConverter.Export(lastModel);
break;
case 3:
var jsonConverter = new JSONConverter();
result = jsonConverter.Export(lastModel);
break;
}
if (!string.IsNullOrEmpty(result))
{
//Clipboard.SetText(result);
//MessageBox.Show("Last loaded model exported to clipboard as CML");
textBox1.Text = result + Environment.NewLine;
}
}
ExportAs.SelectedIndex = 0;
LoadStructure.Focus();
}
private void SwitchToSingle_OnClick(object sender, RoutedEventArgs e)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
if (!_loading)
{
object obj1 = ExecuteJavaScript("GetJSON");
object obj2 = ExecuteJavaScript("GetFirstMolJSON");
if (obj1 != null && obj2 != null)
{
string mol1 = obj1.ToString();
string mol2 = obj2.ToString();
if (!string.IsNullOrEmpty(mol1) && !string.IsNullOrEmpty(mol2))
{
JSONConverter jc = new JSONConverter();
Model.Model model1 = jc.Import(mol1);
Model.Model model2 = jc.Import(mol2);
if (model1.Molecules.Count == 1)
{
StructureJson = jc.Export(model1);
SwapMode();
}
else
{
StringBuilder sb = new StringBuilder();
sb.AppendLine($"Warning your structure '{model1.ConciseFormula}' contains more than one molecule.");
sb.AppendLine($"Only the first molecule '{model2.ConciseFormula}' will be retained.");
sb.AppendLine(" Do you wish to continue?");
DialogResult dr = UserInteractions.AskUserYesNo(sb.ToString());
if (dr == DialogResult.Yes)
{
StructureJson = jc.Export(model2);
SwapMode();
}
}
}
}
}
}
catch (Exception ex)
{
new ReportError(Telemetry, TopLeft, module, ex).ShowDialog();
}
}
public DialogResult Edit()
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
DialogResult result = DialogResult.Cancel;
try
{
Telemetry.Write(module, "Verbose", "Called");
if (HasSettings)
{
LoadSettings();
}
CMLConverter cmlConverter = new CMLConverter();
Model.Model model = cmlConverter.Import(Cml);
JSONConverter jsonConverter = new JSONConverter();
string json = jsonConverter.Export(model);
ChemDoodleWeb cdwEditor = new ChemDoodleWeb();
cdwEditor.TopLeft = TopLeft;
cdwEditor.Telemetry = Telemetry;
cdwEditor.ProductAppDataPath = ProductAppDataPath;
cdwEditor.UserOptions = _editorOptions;
cdwEditor.Before_JSON = json;
cdwEditor.IsSingleMolecule = model.Molecules.Count == 1;
cdwEditor.AverageBondLength = model.MeanBondLength;
result = cdwEditor.ShowDialog();
if (result == DialogResult.OK)
{
Properties = new Dictionary <string, string>();
Properties.Add("Before_Formula", cdwEditor.Before_Formula);
Properties.Add("After_Formula", cdwEditor.After_Formula);
json = cdwEditor.After_JSON;
cdwEditor.Close();
model = jsonConverter.Import(json);
Cml = cmlConverter.Export(model);
}
}
catch (Exception ex)
{
new ReportError(Telemetry, TopLeft, module, ex).ShowDialog();
}
return(result);
}
private void btnConvertModel_Click(object sender, EventArgs e)
{
TextBoxFormat format = GetTextBoxFormat(txtStructure);
switch (format)
{
case TextBoxFormat.Json:
JSONConverter converter1 = new JSONConverter();
Model model1 = converter1.Import((object)txtStructure.Text);
model1.RebuildMolecules();
model1.Relabel();
model1.CustomXmlPartGuid = Guid.NewGuid().ToString("N");
CMLConverter converter2 = new CMLConverter();
txtStructure.Text = converter2.Export(model1);
break;
case TextBoxFormat.Cml:
CMLConverter converter3 = new CMLConverter();
Model model2 = converter3.Import((object)txtStructure.Text);
model2.RebuildMolecules();
model2.Relabel();
JSONConverter converter4 = new JSONConverter();
txtStructure.Text = converter4.Export(model2);
break;
case TextBoxFormat.MolFile:
SdFileConverter converter5 = new SdFileConverter();
Model model3 = converter5.Import((object)txtStructure.Text);
model3.RebuildMolecules();
model3.Relabel();
CMLConverter converter6 = new CMLConverter();
txtStructure.Text = converter6.Export(model3);
break;
}
EnableButtons();
}