public void Update8500(TanChemicalVM newChemicalNameVM)
{
try
{
if (SelectedTanChemicalVM != null && SelectedTanChemicalVM.ChemicalType == ChemicalType.S8500 && SelectedTanChemicalVM.NUM > 8000)
{
var newlySelectedTanChemicalVM = TanChemicalVMList.Where(c => c.RegNumber == newChemicalNameVM.RegNumber).FirstOrDefault();
if (newlySelectedTanChemicalVM != null)
{
newlySelectedTanChemicalVM.NUM = SelectedTanChemicalVM.NUM;
newlySelectedTanChemicalVM.Id = SelectedTanChemicalVM.Id;
SelectedTanChemicalVM.NUM = 0;
SelectedTanChemicalVM.Id = Guid.Empty;
SelectedTanChemicalVM = null;
SelectedTanChemicalVM = newlySelectedTanChemicalVM;
UpdateChemicalName(newlySelectedTanChemicalVM);
UpdateChemicalsView();
}
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
public void Add8000Chemical(TanChemicalVM newChemical)
{
try
{
var mainViewModel = (App.Current.MainWindow as MainWindow).DataContext as MainVM;
if (TanChemicalVMList != null)
{
//generate new 8000 number
int seriesNumber = 8001;
var maxSeriesNumChecmical = TanChemicalVMList.
Where(rp => rp.ChemicalType == ChemicalType.S8000)
.OrderBy(rp => rp.NUM).LastOrDefault();
if (maxSeriesNumChecmical != null && maxSeriesNumChecmical.NUM < 8499)
{
seriesNumber = maxSeriesNumChecmical.NUM + 1;
}
else if (maxSeriesNumChecmical != null && maxSeriesNumChecmical.NUM >= 8499)
{
seriesNumber = 7001;
var _7000SeriesNumChecmical = TanChemicalVMList.
Where(rp => rp.ChemicalType == ChemicalType.S8000 && rp.NUM < 8000)
.OrderBy(rp => rp.NUM).LastOrDefault();
if (_7000SeriesNumChecmical != null && _7000SeriesNumChecmical.NUM < 8500)
{
seriesNumber = _7000SeriesNumChecmical.NUM + 1;
}
}
TanChemicalVM c = new TanChemicalVM();
c.ChemicalType = ChemicalType.S8000;
c.RegNumber = String.Empty;
c.SearchName = string.IsNullOrEmpty(newChemical.Name) ? (string.IsNullOrEmpty(newChemical.GenericName) ? newChemical.CompoundNo : newChemical.GenericName) : newChemical.Name;
c.Name = string.IsNullOrEmpty(newChemical.Name) ? (string.IsNullOrEmpty(newChemical.GenericName) ? newChemical.CompoundNo : newChemical.GenericName) : newChemical.Name;
c.NUM = seriesNumber;
c.InChiKey = newChemical.InChiKey;
c.ChemicalmataData = newChemical.ChemicalmataData;
c.CompoundNo = newChemical.CompoundNo;
c.GenericName = newChemical.GenericName;
c.Id = newChemical.Id;
c.ChemicalmataData = newChemical.ChemicalmataData;
c.MolString = newChemical.MolString;
c.MolFormula = newChemical.MolFormula;
TanChemicalVMList.Add(c);
mainViewModel.S8000Chemicals.Add(c);
TanChemical tanchemical = (from p in mainViewModel.TanVM.TanChemicals where p.Id == newChemical.Id select p).FirstOrDefault();
if (tanchemical == null)
{
TanChemicalsCrud.AddTanChemicalToList(mainViewModel.TanVM.TanChemicals, c, mainViewModel.TanVM.Id);
}
mainViewModel.TanVM.PerformAutoSave("8000 chemical generated");
Clear8000EditArea();
SelectedTabIndex = 0;
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
public bool VerifyNewStructure(string inchiKey)
{
try
{
return(TanChemicalVMList.Where(c => c.InChiKey == inchiKey).Any());
}
catch (Exception ex)
{
Log.This(ex);
return(false);
}
}
private void PopupViewModel_PublishNUMAssign(object sender, TanChemicalVM e)
{
try
{
var sameRegChemical = TanChemicalVMList.Where(c => c.RegNumber == e.RegNumber).FirstOrDefault();
if (sameRegChemical != null)
{
sameRegChemical.NUM = e.NUM;
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
private void DeleteTanChemical(object obj)
{
try
{
var mainViewModel = (App.Current.MainWindow as MainWindow).DataContext as MainVM;
var EditedTanChemical = (from c in mainViewModel.TanVM.TanChemicals where c.Id == SelectedTanChemicalVM.Id select c).FirstOrDefault();
var EditedParticipant = (from p in mainViewModel.TanVM.ReactionParticipants where p.TanChemicalId == SelectedTanChemicalVM.Id select p);
if (SelectedTanChemicalVM.ChemicalType != ChemicalType.S9000 && SelectedTanChemicalVM.ChemicalType != ChemicalType.NUM && (EditedParticipant == null || !EditedParticipant.Any()))
{
DialogResult dialogResult = System.Windows.Forms.MessageBox.Show("Are you Sure You want to Delete selected Chemical", "Reactions", MessageBoxButtons.YesNo, MessageBoxIcon.Warning);
if (dialogResult == DialogResult.Yes)
{
mainViewModel.TanVM.TanChemicals.Remove(EditedTanChemical);
var EditedChemical = TanChemicalVMList.Where(i => i.Id == SelectedTanChemicalVM.Id).FirstOrDefault();
if (EditedChemical.ChemicalType == ChemicalType.S8000)
{
TanChemicalVMList.Remove(EditedChemical);
}
else if (EditedChemical.ChemicalType == ChemicalType.S8500)
{
EditedChemical.NUM = 0;
}
mainViewModel.TanVM.UpdateUnusedNUMs();
mainViewModel.TanVM.UpdateNumsView();
mainViewModel.TanVM.PerformAutoSave($"{EditedChemical.ChemicalType} chemical deleted");
}
}
else if (EditedParticipant != null && EditedParticipant.Any())
{
mainViewModel.PrepareInfo(EditedParticipant.FirstOrDefault());
mainViewModel.ChemicalUsedPlacesVM.PreviewTabIndex = 0;
mainViewModel.CallChemicalUsedPlacesWindow(mainViewModel.ChemicalUsedPlacesVM);
//AppInfoBox.ShowInfoMessage($"Selected Chemical already involved in : {string.Join(",", EditedParticipant.Select(ep => ep.ReactionVM.DisplayName).ToList())} as {string.Join(",", EditedParticipant.Select(ep => ep.ParticipantType.ToString()).ToList())} Respectively. If You want to delete Please delete the participant In reaction.");
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
public void AddParticipant(object participant)
{
try
{
var StartTime = DateTime.Now;
Debug.WriteLine($"Add Participant Started at {StartTime.DMYHMT()}");
var mainViewModel = (App.Current.MainWindow as MainWindow).DataContext as MainVM;
if (SelectedTanChemicalVM != null && mainViewModel.TanVM != null && mainViewModel.IsParticipatTypeSelected)
{
if (S.AllowedDuplicateChemicals.Where(c => SelectedTanChemicalVM.SearchName.Contains(c)).Count() > 0)
{
var ListOfNames = SelectedTanChemicalVM.SearchName.Split(new string[] { "; " }, StringSplitOptions.RemoveEmptyEntries);
DuplicateNamesList dnList = new Views.DuplicateNamesList();
(dnList.DataContext as DuplicateNamesVM).DuplicateNamesView = new ObservableCollection <Names>(ListOfNames.Select(s => new Names {
Name = s
}));
dnList.ShowDialog();
if ((dnList.DataContext as DuplicateNamesVM).DialogStatus)
{
SelectedTanChemicalVM.Name = (dnList.DataContext as DuplicateNamesVM).SelectedName.Name;
}
else
{
return;
}
}
if (SelectedTanChemicalVM.RegNumber == "5137553")
{
AppInfoBox.ShowInfoMessage("You can't add Aliquat 336. If still you want please Add RSN as 'Aliquat 336 Used'");
return;
}
if (SelectedTanChemicalVM.RegNumber == "69849452")
{
AppInfoBox.ShowInfoMessage("Davis reagent (REGNUM: 69849452) cannot be used in RSD, please capture in RSN");
return;
}
//this is required only for 8500 series. All other series will have Num values.
if (SelectedTanChemicalVM != null && SelectedTanChemicalVM.NUM == 0)
{
var numChemical = TanChemicalVMList.Where(cn => cn.ChemicalType == ChemicalType.NUM && cn.RegNumber == SelectedTanChemicalVM.RegNumber).FirstOrDefault();
if (numChemical != null)
{
StringBuilder sb = new StringBuilder();
sb.Append($"Selected chemical already Present in NUMS section with num {numChemical.NUM}");
AppInfoBox.ShowInfoMessage(sb.ToString());
return;
}
SelectedTanChemicalVM.Id = Guid.NewGuid();
var maxNum = TanChemicalVMList.
Where(rp => rp.ChemicalType == ChemicalType.S8500).
Select(rp => rp.NUM).
Max();
if (maxNum > 0)
{
SelectedTanChemicalVM.NUM = maxNum + 1;
}
else
{
SelectedTanChemicalVM.NUM = 8501;
}
TanChemical tanchemical = (from p in mainViewModel.TanVM.TanChemicals where p.RegNumber == SelectedTanChemicalVM.RegNumber select p).FirstOrDefault();
if (tanchemical == null)
{
TanChemicalsCrud.AddTanChemicalToList(mainViewModel.TanVM.TanChemicals, SelectedTanChemicalVM, mainViewModel.TanVM.Id);
}
if (!AddAsParticipant)
{
mainViewModel.TanVM.PerformAutoSave("8500 Chemical Added");
}
}
var chemical = TanChemicalVMList.Where(cn => cn.ChemicalType == ChemicalType.NUM && cn.RegNumber == SelectedTanChemicalVM.RegNumber && SelectedTanChemicalVM.ChemicalType != ChemicalType.NUM).FirstOrDefault();
if (chemical != null)
{
SelectedTanChemicalVM = chemical;
}
if (SelectedTanChemicalVM.RegNumber == "30525894" && SelectedTanChemicalVM.ChemicalType == ChemicalType.NUM)
{
SelectedTanChemicalVM = TanChemicalVMList.Where(cn => cn.ChemicalType == ChemicalType.S9000 && cn.RegNumber == "50000").FirstOrDefault();
SelectedTanChemicalVM.Name = S.PARA_FORM;
}
Debug.WriteLine($"Before adding Participant to Json {System.DateTime.Now}");
if (SelectedTanChemicalVM != null && AddAsParticipant)
{
(App.Current.MainWindow as MainWindow).ChemicalNameAdded(SelectedTanChemicalVM);
}
ReactionValidations.AddJonesReAgentRSN(mainViewModel.TanVM);
Debug.WriteLine($"After adding Participant to Json {System.DateTime.Now}");
Debug.WriteLine($"Add Participant Done in {(DateTime.Now - StartTime).TotalSeconds} seconds");
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
private void Add8000SeriesChemical(object s)
{
try
{
if (!string.IsNullOrEmpty(MolString))
{
if (S8000Metas != null && S8000Metas.Count > 0 && S8000Metas.Where(meta => !meta.ValidClass()).Count() == 0 &&
(!string.IsNullOrEmpty(SubstanceName) || !string.IsNullOrEmpty(CompoundNum) || !string.IsNullOrEmpty(GenericName)))
{
if ((EditingChemicalId == Guid.Empty && !string.IsNullOrEmpty(SubstanceName) && (from cn in TanChemicalVMList where cn.Name.SafeEqualsLower(SubstanceName) select cn).Any()))
{
AppInfoBox.ShowInfoMessage("Substance name Already exist in Chemical Names List");
return;
}
if ((EditingChemicalId == Guid.Empty && !string.IsNullOrEmpty(GenericName) && (from cn in TanChemicalVMList where cn.GenericName.SafeEqualsLower(GenericName) select cn).Any()))
{
AppInfoBox.ShowInfoMessage("GenericName Already exist in Chemical Names List");
return;
}
if ((EditingChemicalId == Guid.Empty && !string.IsNullOrEmpty(CompoundNum) && (from cn in TanChemicalVMList where cn.GenericName.SafeEqualsLower(CompoundNum) select cn).Any()))
{
AppInfoBox.ShowInfoMessage("CompoundNum Already exist in Chemical Names List");
return;
}
var inchiKey = MolToInchi.Mol2Inchi(MolString);
if (!String.IsNullOrEmpty(inchiKey))
{
var chemical = T.FindByInchiKey(inchiKey);
if (chemical != null)
{
AppInfoBox.ShowInfoMessage(chemical.GetDuplicateChemicalString(inchiKey));
return;
}
chemical = TanChemicalVMList.Where(cn => cn.InChiKey != null && cn.InChiKey == inchiKey).FirstOrDefault();
if (chemical != null && EditingChemicalId == Guid.Empty)
{
AppInfoBox.ShowInfoMessage(chemical.GetDuplicateChemicalString(inchiKey));
return;
}
}
var mainViewModel = (App.Current.MainWindow as MainWindow).DataContext as MainVM;
var MetaDataList = new List <TanChemicalMetaData>();
foreach (var item in S8000Metas)
{
var tanChemicalMeta = new TanChemicalMetaData
{
Id = Guid.NewGuid(),
ColumnNo = item.Column,
Figure = item.Figure,
FootNote = item.FootNote,
LineNo = item.Line,
OtherNotes = item.Other,
PageNo = item.Page,
ParaNo = item.Para,
Scheme = item.Scheme,
Sheet = item.Sheet,
TableNo = item.Table
};
MetaDataList.Add(tanChemicalMeta);
}
if (EditingChemicalId != Guid.Empty)
{
var EditedChemical = TanChemicalVMList.Where(i => i.Id == EditingChemicalId).FirstOrDefault();
if (EditedChemical != null)
{
EditedChemical.Name = SubstanceName;
EditedChemical.SearchName = string.IsNullOrEmpty(SubstanceName) ? (string.IsNullOrEmpty(GenericName) ? CompoundNum : GenericName) : SubstanceName;
EditedChemical.ChemicalType = ChemicalType.S8000;
EditedChemical.CompoundNo = CompoundNum;
EditedChemical.GenericName = GenericName;
EditedChemical.StructureType = StructureType.CGM;
EditedChemical.ChemicalmataData = MetaDataList;
EditedChemical.MolString = MolString;
EditedChemical.MolFormula = MolFormula;
EditedChemical.InChiKey = inchiKey;
}
UpdateChemicalName(EditedChemical);
SelectedTanChemicalVM = null;
SelectedTanChemicalVM = EditedChemical;
mainViewModel.TanVM.UpdateUnusedNUMs();
mainViewModel.TanVM.UpdateNumsView();
Clear8000EditArea();
SelectedTabIndex = 0;
}
else
{
var newChemical = new TanChemicalVM
{
Id = Guid.NewGuid(),
Name = SubstanceName,
SearchName = SubstanceName,
ChemicalType = ChemicalType.S8000,
CompoundNo = CompoundNum,
GenericName = GenericName,
StructureType = StructureType.CGM,
ChemicalmataData = MetaDataList,
MolString = MolString,
MolFormula = MolFormula,
InChiKey = inchiKey
};
foreach (var item in MetaDataList)
{
item.TanChemicalId = newChemical.Id;
}
Add8000Chemical(newChemical);
}
EditingChemicalId = Guid.Empty;
}
else
{
AppInfoBox.ShowInfoMessage("New Chemical data missed. To save new chemical SubstanceName/CompoundNum/GenericName and PageNo are mandatory.");
}
}
else
{
AppInfoBox.ShowInfoMessage("Please draw structure to add");
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
private void EditTanChemical(object s)
{
try
{
var mainViewModel = (App.Current.MainWindow as MainWindow).DataContext as MainVM;
if (SelectedTanChemicalVM != null)
{
if (SelectedTanChemicalVM.ChemicalType == ChemicalType.S8000)
{
EditingChemicalId = SelectedTanChemicalVM.Id;
SubstanceName = SelectedTanChemicalVM.Name;
CompoundNum = SelectedTanChemicalVM.CompoundNo;
GenericName = SelectedTanChemicalVM.GenericName;
MolString = SelectedTanChemicalVM.MolString;
List <S8000MetaVM> MetaList = new List <S8000MetaVM>();
foreach (var item in SelectedTanChemicalVM.ChemicalmataData)
{
var metavm = new S8000MetaVM
{
Column = item.ColumnNo,
Figure = item.Figure,
FootNote = item.FootNote,
Id = item.Id,
Line = item.LineNo,
Other = item.OtherNotes,
Page = item.PageNo,
Para = item.ParaNo,
Scheme = item.Scheme,
Sheet = item.Sheet,
Table = item.TableNo
};
MetaList.Add(metavm);
}
S8000Metas = new ObservableCollection <ViewModels.S8000MetaVM>(MetaList);
SelectedTabIndex = 1;
}
else if (SelectedTanChemicalVM.ChemicalType == ChemicalType.S8500)
{
if (SelectedTanChemicalVM.NUM > 8500)
{
var s8500Chemicals = new List <TanChemicalVM>();
var chemicalName = new TanChemicalVM(SelectedTanChemicalVM);
foreach (var e in TanChemicalVMList.Where(c => c.ChemicalType == ChemicalType.S8500 && c.NUM == 0))
{
s8500Chemicals.Add(new TanChemicalVM(e));
}
EditS8500Chemical.Invoke(this, new EditChemicalName {
ChemicalNameVM = chemicalName, ChoosableChemicalVMs = s8500Chemicals
});
var AllNumsList = TanChemicalVMList.Where(tc => tc.NUM > 0).Select(tc => tc.NUM);
var duplicateNumsList = AllNumsList.GroupBy(num => num);
if (AllNumsList.Count() != duplicateNumsList.Count())
{
Log.This(new Exception("Duplicate Nums were generated"));
}
}
else
{
AppInfoBox.ShowInfoMessage("NUM Not Generated For This Chemical . .");
}
}
else
{
AppInfoBox.ShowInfoMessage("Only 8500 And 8000 NUMs Are Editable . .");
}
}
}
catch (Exception ex)
{
Log.This(ex);
}
}
