public void LoadChemistryByTagItems()
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
ChemistryByTagItems.Clear();
SQLiteDataReader allTags = LibraryModel.GetChemistryByTags();
while (allTags.Read())
{
var tag = new ChemistryByTag();
tag.ID = (long)allTags["ID"];
tag.GalleryID = (long)allTags["GalleryID"];
tag.tagID = (long)allTags["TagID"];
ChemistryByTagItems.Add(tag);
}
allTags.Close();
allTags.Dispose();
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
public static Dictionary <string, int> GetLibraryNames()
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
Dictionary <string, int> allNames = new Dictionary <string, int>();
SQLiteDataReader names = LibraryModel.GetAllNames();
while (names.Read())
{
string name = names["Name"] as string;
if (!string.IsNullOrEmpty(name) && name.Length > 3)
{
int id = int.Parse(names["ChemistryId"].ToString());
if (!allNames.ContainsKey(name))
{
allNames.Add(name, id);
}
}
}
names.Close();
names.Dispose();
return(allNames);
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
return(null);
}
}
public ObservableCollection <UserTag> LoadUserTagItems(int ChemistryID)
{
var results = new ObservableCollection <UserTag>();
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
SQLiteDataReader allTags = LibraryModel.GetAllUserTags(ChemistryID);
while (allTags.Read())
{
var tag = new UserTag();
tag.ID = (long)allTags["ID"];
tag.Text = (string)allTags["UserTag"];
results.Add(tag);
}
allTags.Close();
allTags.Dispose();
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
return(results);
}
public void Save()
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
LibraryModel.UpdateChemistry(ID, Name, XML, Formula);
Dirty = false;
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
private void DeleteButton_OnClick(object sender, RoutedEventArgs e)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
if (AskUserYesNo("Do you want to delete this structure from the Library?") == DialogResult.Yes)
{
LibraryModel.DeleteChemistry(((LibraryViewModel.Chemistry) this.DataContext).ID);
Globals.Chem4WordV3.LibraryNames = LibraryModel.GetLibraryNames();
ParentControl.MainGrid.DataContext = new LibraryViewModel();
}
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
private void AddNewChemistry(IList eNewItems)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
if (!_initializing)
{
foreach (Chemistry chemistry in eNewItems)
{
chemistry.ID = LibraryModel.AddChemistry(chemistry.XML, chemistry.Name, chemistry.Formula);
}
}
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
public static Dictionary <string, int> GetLibraryNames()
{
Dictionary <string, int> allNames = new Dictionary <string, int>();
SQLiteDataReader names = LibraryModel.GetAllNames();
while (names.Read())
{
string name = names["Name"] as string;
if (!string.IsNullOrEmpty(name) && name.Length > 3)
{
int id = int.Parse(names["ChemistryId"].ToString());
if (!allNames.ContainsKey(name))
{
allNames.Add(name, id);
}
}
}
names.Close();
names.Dispose();
return(allNames);
}
public void LoadChemistryItems(string filter)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
try
{
_initializing = true;
ChemistryItems.Clear();
SQLiteDataReader chemistry = LibraryModel.GetAllChemistry(filter);
while (chemistry.Read())
{
var mol = new Chemistry();
mol.Initializing = true;
mol.ID = (long)chemistry["ID"];
var byteArray = (Byte[])chemistry["Chemistry"];
mol.XML = Encoding.UTF8.GetString(byteArray);
mol.Name = chemistry["name"] as string;
mol.Formula = chemistry["formula"] as string;
ChemistryItems.Add(mol);
LoadOtherNames(mol);
mol.Initializing = false;
}
chemistry.Close();
chemistry.Dispose();
_initializing = false;
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
public static bool ImportCml(string cmlFile)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
bool result = false;
try
{
var converter = new CMLConverter();
Model.Model model = converter.Import(cmlFile);
if (model.AllAtoms.Count > 0)
{
double before = model.MeanBondLength;
if (before < Constants.MinimumBondLength - Constants.BondLengthTolerance ||
before > Constants.MaximumBondLength + Constants.BondLengthTolerance)
{
model.ScaleToAverageBondLength(Constants.StandardBondLength);
double after = model.MeanBondLength;
Globals.Chem4WordV3.Telemetry.Write(module, "Information", $"Structure rescaled from {before.ToString("#0.00")} to {after.ToString("#0.00")}");
}
// Ensure each molecule has a Consise Formula set
foreach (var molecule in model.Molecules)
{
if (string.IsNullOrEmpty(molecule.ConciseFormula))
{
molecule.ConciseFormula = molecule.CalculatedFormula();
}
}
CMLConverter cmlConverter = new CMLConverter();
model.CustomXmlPartGuid = "";
var cml = cmlConverter.Export(model);
string chemicalName = model.ConciseFormula;
var mol = model.Molecules[0];
if (mol.ChemicalNames.Count > 0)
{
foreach (var name in mol.ChemicalNames)
{
long temp;
if (!long.TryParse(name.Name, out temp))
{
chemicalName = name.Name;
break;
}
}
}
var id = AddChemistry(cml, chemicalName, model.ConciseFormula);
foreach (var name in mol.ChemicalNames)
{
LibraryModel.AddChemicalName(id, name.Name, name.DictRef);
}
result = true;
}
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
return(result);
}
