private void UpdateNamedReactionByProducts(string[] selectedByProducts, NamedReaction reactionToUpdate)
{
if (selectedByProducts == null)
{
reactionToUpdate.AppNamedreactionByProducts = new List <NamedReactionByProducts>();
return;
}
var selectedReactantsHS = new HashSet <string>(selectedByProducts);
var reactionByProducts = new HashSet <long>
(reactionToUpdate.AppNamedreactionByProducts.Select(c => c.Reactant.Id));
foreach (var reactant in _context.AppReactant)
{
if (selectedReactantsHS.Contains(reactant.Id.ToString()))
{
if (!reactionByProducts.Contains(reactant.Id))
{
reactionToUpdate.AppNamedreactionByProducts.Add(new NamedReactionByProducts {
NamedreactionId = reactionToUpdate.Id, ReactantId = reactant.Id
});
}
}
else
{
if (reactionByProducts.Contains(reactant.Id))
{
NamedReactionByProducts courseToRemove = reactionToUpdate.AppNamedreactionByProducts.SingleOrDefault(i => i.ReactantId == reactant.Id);
_context.Remove(courseToRemove);
}
}
}
}
// GET: Namedreactions/Create
public IActionResult Create()
{
var reaction = new NamedReaction
{
AppNamedreactionReactants = new List <NamedReactionReactants>(),
AppNamedreactionByProducts = new List <NamedReactionByProducts>()
};
PopulateReactantData(reaction);
List <SelectListItem> acidBaseList = new List <SelectListItem>
{
new SelectListItem {
Value = "AC", Text = "Acid"
},
new SelectListItem {
Value = "BA", Text = "Base"
},
new SelectListItem {
Value = "AB", Text = "Acid Or Base"
},
new SelectListItem {
Value = "NA", Text = "Not Applicable"
}
};
ViewData["AcidBaseList"] = new SelectList(acidBaseList, "Value", "Text", "NA");
List <SelectListItem> heatList = new List <SelectListItem>
{
new SelectListItem {
Value = "HE", Text = "Heat"
},
new SelectListItem {
Value = "NA", Text = "Not Applicable"
}
};
ViewData["HeatList"] = new SelectList(heatList, "Value", "Text", "NA");
ViewData["CatalystId"] = new SelectList(_context.AppCatalyst.OrderBy(i => i.Name.ToLower()).ToList(), "Id", "Name", 1);
ViewData["FunctionalGroupId"] = new SelectList(_context.AppFunctionalgroup.OrderBy(i => i.Name.ToLower()).ToList(), "Id", "Name");
ViewData["SolventId"] = new SelectList(_context.AppSolvent.OrderBy(i => i.Name.ToLower()).ToList(), "Id", "Name", 1);
return(View());
}
private void PopulateReactantData(NamedReaction reaction)
{
var allReactants = _context.AppReactant.OrderBy(i => i.Name.ToLower()).ToList();
var reactionReactants = new HashSet <long>(reaction.AppNamedreactionReactants.Select(c => c.ReactantId));
var reactantList = new List <SelectListItem>();
List <string> selectedReactants = new List <string>();
var reactionByProducts = new HashSet <long>(reaction.AppNamedreactionByProducts.Select(c => c.ReactantId));
var byProductList = new List <SelectListItem>();
List <string> selectedByProducts = new List <string>();
foreach (var reactant in allReactants)
{
bool isReactant = reactionReactants.Contains(reactant.Id);
if (isReactant)
{
selectedReactants.Add(reactant.Id.ToString());
}
reactantList.Add(new SelectListItem
{
Value = reactant.Id.ToString(),
Text = reactant.Name,
Selected = isReactant
});
bool isByProduct = reactionByProducts.Contains(reactant.Id);
if (isByProduct)
{
selectedByProducts.Add(reactant.Id.ToString());
}
byProductList.Add(new SelectListItem
{
Value = reactant.Id.ToString(),
Text = reactant.Name,
Selected = isByProduct
});
}
ViewData["Reactants"] = new MultiSelectList(reactantList, "Value", "Text", selectedReactants);
ViewData["ByProducts"] = new MultiSelectList(byProductList, "Value", "Text", selectedByProducts);
}
public async Task <IActionResult> Create([Bind("Id,Name,ReactantA,ReactantB,ReactantC,Product,Heat,AcidBase,ImageFile,CatalystId,FunctionalGroupId,SolventId,Url")] SustainableChemistryWeb.ViewModels.NamedReactionViewModel namedReactionView, string[] reactants, string[] byProducts)
{
NamedReaction appNamedreaction = new NamedReaction()
{
Name = namedReactionView.Name,
ReactantA = string.Empty,
ReactantB = string.Empty,
ReactantC = string.Empty,
Product = string.IsNullOrEmpty(namedReactionView.Product) ? string.Empty : namedReactionView.Product,
Heat = namedReactionView.Heat,
AcidBase = namedReactionView.AcidBase,
//Image = "Images/Reactions/" + Guid.NewGuid().ToString() + namedReactionView.Image == null ? ".jpg" : ,
CatalystId = namedReactionView.CatalystId,
FunctionalGroupId = namedReactionView.FunctionalGroupId,
SolventId = namedReactionView.SolventId,
Url = string.IsNullOrEmpty(namedReactionView.Url) ? string.Empty : namedReactionView.Url,
};
if (namedReactionView.Image != null)
{
appNamedreaction.Image = "Images/Reactions/" + Guid.NewGuid().ToString() + System.IO.Path.GetFileName(namedReactionView.ImageFile.FileName);
using (var stream = new System.IO.FileStream(_hostingEnvironment.WebRootPath + "/" + appNamedreaction.Image, System.IO.FileMode.Create))
{
await namedReactionView.ImageFile.CopyToAsync(stream);
stream.Close();
}
}
else
{
appNamedreaction.Image = "Images/Reactions/" + Guid.NewGuid().ToString() + ".jpg";
System.IO.StreamReader image = new System.IO.StreamReader(_hostingEnvironment.WebRootPath + "/Images/Reactions/th.jpg");
using (var stream = new System.IO.FileStream(_hostingEnvironment.WebRootPath + "/" + appNamedreaction.Image, System.IO.FileMode.Create))
{
await image.BaseStream.CopyToAsync(stream);
stream.Close();
}
}
if (reactants != null)
{
foreach (var reactant in reactants)
{
var reactantToAdd = new NamedReactionReactants {
NamedreactionId = appNamedreaction.Id, ReactantId = long.Parse(reactant)
};
appNamedreaction.AppNamedreactionReactants.Add(reactantToAdd);
}
}
if (byProducts != null)
{
foreach (var reactant in byProducts)
{
var byProductToAdd = new NamedReactionByProducts {
NamedreactionId = appNamedreaction.Id, ReactantId = long.Parse(reactant)
};
appNamedreaction.AppNamedreactionByProducts.Add(byProductToAdd);
}
}
if (ModelState.IsValid)
{
_context.Add(appNamedreaction);
await _context.SaveChangesAsync();
return(RedirectToAction(nameof(Index)));
}
PopulateReactantData(appNamedreaction);
return(View(appNamedreaction));
}
public async Task <IActionResult> Index(int?Id, int?funcGroupId, int?namedReactionId, string nameSearchString, string smilesSearchString)
{
if (!string.IsNullOrEmpty(smilesSearchString))
{
ViewData["SearchString"] = smilesSearchString.Trim();
}
var viewModel = new SustainableChemistryWeb.ViewModels.FunctionalGroupIndexData();
viewModel.FunctionalGroups = await _context.AppFunctionalgroup
.Include(i => i.AppNamedreaction)
.ThenInclude(i => i.AppReference)
.AsNoTracking()
.OrderBy(i => i.Name)
.ToListAsync();
List <FunctionalGroup> fgFound = new List <FunctionalGroup>();
ChemInfo.Molecule molecule = null;
string IUPacName = string.Empty;
string CASNo = string.Empty;
string DTXSID = string.Empty;
if (!String.IsNullOrEmpty(smilesSearchString))
{
if (TestCASNo(ref CASNo, ref smilesSearchString, ref IUPacName, ref DTXSID))
{
molecule = new ChemInfo.Molecule(smilesSearchString.Trim());
if (molecule.Atoms.Length != 0)
{
foreach (var fg in viewModel.FunctionalGroups)
{
string smarts = fg.Smarts;
if (!string.IsNullOrEmpty(fg.Smarts))
{
if (molecule.FindFunctionalGroup(fg))
{
fgFound.Add(fg);
}
}
}
if (molecule.Aromatic)
{
fgFound.Add(_context.AppFunctionalgroup
.FirstOrDefault(m => m.Id == 35));
}
if (molecule.Heterocyclic)
{
fgFound.Add(_context.AppFunctionalgroup
.FirstOrDefault(m => m.Id == 118));
}
if (molecule.HeterocyclicAromatic)
{
fgFound.Add(_context.AppFunctionalgroup
.FirstOrDefault(m => m.Id == 224));
}
}
}
else
{
return(RedirectToAction("Index", "Home", new { message = "Search String \"" + smilesSearchString + "\" was not found." }));
}
}
else if (!String.IsNullOrEmpty(nameSearchString))
{
ViewData["NameSearchString"] = nameSearchString.Trim();
fgFound.AddRange(viewModel.FunctionalGroups.Where(s => s.Name.Contains(nameSearchString, StringComparison.OrdinalIgnoreCase)));
ViewData["FunctionalGroupName"] = nameSearchString.Trim();
}
else if (funcGroupId != null)
{
ViewData["FunctionalGroupID"] = funcGroupId.Value;
FunctionalGroup group = viewModel.FunctionalGroups.Where(
i => i.Id == funcGroupId.Value).Single();
fgFound.Add(group);
}
if (funcGroupId != null)
{
ViewData["FunctionalGroupID"] = funcGroupId.Value;
FunctionalGroup group = viewModel.FunctionalGroups.Where(
i => i.Id == funcGroupId.Value).Single();
viewModel.NamedReactions = group.AppNamedreaction;
ViewData["FunctionalGroupName"] = group.Name;
}
if (namedReactionId != null)
{
ViewData["NamedReactionID"] = namedReactionId.Value;
NamedReaction rxn = viewModel.NamedReactions.Where(
i => i.Id == namedReactionId.Value).Single();
var referenceViewModels = new List <SustainableChemistryWeb.ViewModels.ReferenceViewModel>();
ViewData["NamedReactionName"] = rxn.Name;
foreach (var referecnce in rxn.AppReference)
{
referenceViewModels.Add(new SustainableChemistryWeb.ViewModels.ReferenceViewModel
{
Id = referecnce.Id,
FunctionalGroupId = referecnce.FunctionalGroupId,
FunctionalGroup = viewModel.FunctionalGroups.Where(
i => i.Id == referecnce.FunctionalGroupId).Single(),
ReactionId = referecnce.ReactionId,
Reaction = referecnce.Reaction,
Risdata = referecnce.Risdata
});
}
viewModel.References = referenceViewModels;
}
if (!string.IsNullOrEmpty(nameSearchString) || !string.IsNullOrEmpty(smilesSearchString) || funcGroupId != null)
{
viewModel.FunctionalGroups = fgFound.OrderBy(i => i.Name);
}
ViewData["SmilesString"] = smilesSearchString;
ViewData["CASNO"] = CASNo;
ViewData["IUPACName"] = IUPacName;
ViewData["DTXSID"] = DTXSID;
return(View(viewModel));
}
