static public string[] NameAndCasNmber(string compoundName)
{
string[] retVal = new string[2];
gov.nih.nlm.chemspell.SpellAidService service = new gov.nih.nlm.chemspell.SpellAidService();
string response = service.getSugList(compoundName, "All databases");
var XMLReader = new System.Xml.XmlTextReader(new System.IO.StringReader(response));
System.Xml.Serialization.XmlSerializer serializer = new System.Xml.Serialization.XmlSerializer(typeof(Synonym));
if (serializer.CanDeserialize(XMLReader))
{
Synonym synonym = (Synonym)serializer.Deserialize(XMLReader);
foreach (SynonymChemical chemical in synonym.Chemical)
{
int result = String.Compare(compoundName, chemical.Name, true);
if (result == 0)
{
retVal[0] = chemical.CAS;
retVal[1] = chemical.Name;
return retVal;
}
}
}
serializer = new System.Xml.Serialization.XmlSerializer(typeof(SpellAid));
if (serializer.CanDeserialize(XMLReader))
{
SpellAid aid = (SpellAid)serializer.Deserialize(XMLReader);
bool different = true;
retVal[0] = aid.Chemical[0].CAS;
retVal[1] = aid.Chemical[0].Name;
for (int i = 0; i < aid.Chemical.Length - 1; i++)
{
if (retVal[0] != aid.Chemical[i + 1].CAS)
{
different = false;
retVal[0] = aid.Chemical[i].CAS;
retVal[1] = aid.Chemical[i].Name;
}
}
if (!different)
{
foreach (SpellAidChemical chemical in aid.Chemical)
{
int result = String.Compare(compoundName, 0, chemical.Name, 0, compoundName.Length, true);
if (result == 0 && compoundName.Length >= chemical.Name.Length)
{
retVal[0] = chemical.CAS;
retVal[1] = chemical.Name;
return retVal;
}
}
SelectChemicalForm form = new SelectChemicalForm(aid, compoundName);
form.ShowDialog();
retVal[0] = form.SelectedChemical.CAS;
retVal[1] = form.SelectedChemical.Name;
return retVal;
}
}
return retVal;
}
private void button2_Click(object sender, EventArgs e)
{
this.dataGridView1.Visible = false;
compoundName = this.textBox1.Text;
casNo = NISTChemicalList.casNumber(compoundName);
if (string.IsNullOrEmpty(casNo))
{
gov.nih.nlm.chemspell.SpellAidService service = new gov.nih.nlm.chemspell.SpellAidService();
string response = service.getSugList(compoundName, "All databases");
var XMLReader = new System.Xml.XmlTextReader(new System.IO.StringReader(response));
System.Xml.Serialization.XmlSerializer serializer = new System.Xml.Serialization.XmlSerializer(typeof(Synonym));
if (serializer.CanDeserialize(XMLReader))
{
// Synonyms means more than one name for the same chemical/CAS Number.
Synonym synonym = (Synonym)serializer.Deserialize(XMLReader);
casNo = synonym.Chemical[0].CAS;
foreach (SynonymChemical chemical in synonym.Chemical)
{
if (casNo != chemical.CAS)
{
System.Windows.Forms.MessageBox.Show(compoundName + "has a synonym with a different CAS Number.");
return;
}
}
label2.Text = "The CAS Number of the chemical is: " + casNo + ". Now select the finished button to exit.";
return;
}
serializer = new System.Xml.Serialization.XmlSerializer(typeof(SpellAid));
if (serializer.CanDeserialize(XMLReader))
{
SpellAid aid = (SpellAid)serializer.Deserialize(XMLReader);
//bool different = true;
chemicalList = new List<SpellAidChemical>();
foreach (SpellAidChemical chemical in aid.Chemical)
{
chemicalList.Add(chemical);
}
this.dataGridView1.DataSource = chemicalList;
this.dataGridView1.Visible = true;
this.label2.Text = "Select the desired chemical from the list below and click the 'Finished' button to exit.";
return;
// retVal[0] = aid.Chemical[0].CAS;
// retVal[1] = aid.Chemical[0].Name;
// for (int i = 0; i < aid.Chemical.Length - 1; i++)
// {
// if (retVal[0] != aid.Chemical[i + 1].CAS)
// {
// different = false;
// retVal[0] = aid.Chemical[i].CAS;
// retVal[1] = aid.Chemical[i].Name;
// }
// }
// if (!different)
// {
// foreach (SpellAidChemical chemical in aid.Chemical)
// {
// int result = String.Compare(compoundName, 0, chemical.Name, 0, compoundName.Length, true);
// if (result == 0 && compoundName.Length >= chemical.Name.Length)
// {
// retVal[0] = chemical.CAS;
// retVal[1] = chemical.Name;
// return retVal;
// }
// }
// SelectChemicalForm form = new SelectChemicalForm(aid, compoundName);
// form.ShowDialog();
// retVal[0] = form.SelectedChemical.CAS;
// retVal[1] = form.SelectedChemical.Name;
// return retVal;
// }
}
}
label2.Text = "The CAS Number of the chemical is: " + casNo + ". Now select the 'Finished' button to exit.";
return;
}
private void findCompound(ref string compoundName, ref string CasNo)
{
gov.nih.nlm.chemspell.SpellAidService service = new gov.nih.nlm.chemspell.SpellAidService();
string response = service.getSugList(compoundName, "All databases");
response = response.Replace("&", "&");
var XMLReader = new System.Xml.XmlTextReader(new System.IO.StringReader(response));
System.Xml.Serialization.XmlSerializer serializer = new System.Xml.Serialization.XmlSerializer(typeof(Synonym));
if (serializer.CanDeserialize(XMLReader))
{
// Synonyms means more than one name for the same chemical/CAS Number.
Synonym synonym = (Synonym)serializer.Deserialize(XMLReader);
CasNo = synonym.Chemical[0].CAS;
this.listBox1.BeginUpdate();
foreach (SynonymChemical chemical in synonym.Chemical)
{
this.listBox1.Items.Add(chemical.Name);
if (CasNo != chemical.CAS)
{
System.Windows.Forms.MessageBox.Show(compoundName + " has a synonym with a different CAS Number.");
return;
}
}
this.listBox1.EndUpdate();
return;
}
serializer = new System.Xml.Serialization.XmlSerializer(typeof(SpellAid));
if (serializer.CanDeserialize(XMLReader))
{
SpellAid aid = (SpellAid)serializer.Deserialize(XMLReader);
Form3 selector = new Form3();
selector.chemicals = aid;
selector.ShowDialog();
compoundName = selector.SelectedChemical;
this.findCompound(ref compoundName, ref CasNo);
return;
}
CasNo = string.Empty;
}
