public Solvent TransformToSolvent()
{
Solvent result = new Solvent();
result.MoleculeCAS = MoleculeCAS;
result.v = VValue;
return(result);
}
// SolventMix is a mix of Weed-leaves and chemical(s).
public SolventMix(IChronic chronic, IChemical chemical)
: base(chronic.Name + " " + chemical.Name, chronic.Description + " " + chemical.Description, chronic.Weight + chemical.Weight, chronic.Value)
{
Type = ItemType.SolventMix;
_extractedOils = new Random().NextDouble() * (0.85 - 0.75) + 0.75;
Chronic = chronic;
Chemical = chemical;
Solvent = new Solvent(Chronic, Chemical);
}
public void EmptySolventTest()
{
Solvent item = new Solvent();
List <OutputMessage> errors = new List <OutputMessage>();
errors = item.Validate();
Assert.AreNotEqual(0, errors.Count);
}
private Solvent LoadSolvent(IDataReader reader)
{
Solvent model = new Solvent();
model.SolventId = reader.GetInt32("solvent_id");
model.Name = reader.GetString("name");
model.Description = reader.GetString("description");
model.ImageName = reader.GetString("image_name");
model.DateEntry = reader.GetDateTime("date_entry");
model.DateUpdated = reader.GetDateTime("date_updated");
return(model);
}
public void SelectedSolventTest()
{
molecules.Add(new SelectedMolecule()
{
Name = "MoleculeA", CAS = "AAAAA-AA-A", Location = "Q2", VAvailable = 25.2
});
Solvent item = new Solvent(molecules[0]);
List <OutputMessage> errors = new List <OutputMessage>();
errors = item.Validate();
Assert.AreNotEqual(0, errors.Count);
}
public void SelectedAndNumberVInputSolventTest()
{
molecules.Add(new SelectedMolecule()
{
Name = "MoleculeA", CAS = "AAAAA-AA-A", Location = "Q2", VAvailable = 674
});
Solvent item = new Solvent(molecules[0]);
item.VValueString = "21";
List <OutputMessage> errors = new List <OutputMessage>();
errors = item.Validate();
Assert.AreEqual(0, errors.Count);
}
public async Task <IActionResult> Create([Bind("Id,Name,Description")] SustainableChemistryWeb.Models.Solvent solvent)
{
try
{
Solvent appSolvent = new Solvent()
{
Name = solvent.Name,
Description = solvent.Description
};
if (ModelState.IsValid)
{
_context.Add(appSolvent);
await _context.SaveChangesAsync();
return(RedirectToAction(nameof(Index)));
}
return(RedirectToAction(nameof(Index)));
}
catch
{
return(View());
}
}
public static Algorithm ParseJson(String jsonString, List <MinMaxValue> minMaxValues)
{
dynamic jsonModel = JsonConvert.DeserializeObject(jsonString);
Algorithm algorithm = new Algorithm()
{
AlgorithmName = jsonModel.algorithm,
Models = new List <Model>()
};
Model model = new Model()
{
Clusters = new List <Cluster>(),
DataSet = jsonModel.dataSet,
Date = DateTime.Now,
NumberOfSolvents = 0,
NumberOfFeatures = 0,
ModelPath = jsonModel.modelPath,
AlgorithmName = jsonModel.algorithm
};
foreach (var cluster in jsonModel.clusters)
{
Cluster clusterTemp = new Cluster()
{
DistanceToClusters = new List <ClusterDistanceCenter>(),
Number = cluster.clusterNumber,
Solvents = new List <Solvent>(),
VectorData = new List <VectorData>(),
};
foreach (var vector in cluster.vectorData)
{
VectorData vectorData = new VectorData()
{
Value = vector.value,
FeatureName = vector.name
};
clusterTemp.VectorData.Add(vectorData);
}
foreach (var distance in cluster.distanceToCluster)
{
ClusterDistanceCenter clusterDistanceCenter = new ClusterDistanceCenter()
{
ToClusterId = distance.clusterId,
Distance = distance.distance
};
clusterTemp.DistanceToClusters.Add(clusterDistanceCenter);
}
foreach (var solvent in cluster.solvents)
{
Solvent solventTemp = new Solvent()
{
CasNumber = solvent.casNumber,
Name = solvent.name,
DistanceToClusterCenter = solvent.distanceToCluster,
Features = new List <Feature>(),
MetaData = new SolventMetaData()
{
Label = solvent.predictLabel,
IdCasNr = solvent.iD_CAS_Nr_1,
IdEgNr = solvent.iD_EG_Nr,
IdEgAnnexNr = solvent.iD_EG_Annex_Nr,
Input = solvent.input,
IdName1 = solvent.iD_Name_1
}
};
solventTemp.CasNumber = solventTemp.CasNumber.Replace("\"", "");
solventTemp.Name = solventTemp.Name.Replace("\"", "");
foreach (var feature in solvent.features)
{
FeatureName featureName;
Enum.TryParse <FeatureName>(feature.name.ToString(), out featureName);
var value = minMaxValues.FirstOrDefault(a => a.FeatureName == featureName);
Feature featureTemp = new Feature()
{
FeatureName = feature.name,
Value = feature.value
};
featureTemp.MinMaxValue = value;
solventTemp.Features.Add(featureTemp);
}
clusterTemp.Solvents.Add(solventTemp);
model.NumberOfFeatures = solventTemp.Features.Count;
}
model.NumberOfSolvents += clusterTemp.Solvents.Count;
model.Clusters.Add(clusterTemp);
}
algorithm.Models.Add(model);
return(algorithm);
}