protected void OpenSpecieDB(string filename)
{
try
{
string db = File.ReadAllText(filename);
if (!db.Contains("[Species]"))
{
Log.Message(
"[Species] token not found in database file",
MessageType.Error,
new MessageSource(filename));
return;
}
int elementCount = 0, specieCount = 0;
for (Match m = s_ElementRegex.Match(db); m.Success; m = m.NextMatch())
{
Element elem = new Element();
elem.AtmoicNo = int.Parse(m.Groups["AtmNo"].Value, CultureInfo.InvariantCulture);
elem.AtomicMass = double.Parse(m.Groups["AtmWt"].Value, CultureInfo.InvariantCulture);
elem.Name = elem.Symbol = m.Groups["Sym"].Value;
if (Element.AddElement(elem))
elementCount++;
}
List<int> groupIndices = new List<int>();
Dictionary<int, string> groupNames = new Dictionary<int, string>();
for (Match m = s_GroupRegex.Match(db); m.Success; m = m.NextMatch())
{
int i = int.Parse(m.Groups["Index"].Value, CultureInfo.InvariantCulture);
groupIndices.Add(i);
groupNames.Add(i, m.Groups["Name"].Value);
if (lstSpecies.Groups[m.Groups["Name"].Value] == null)
lstSpecies.Groups.Add(m.Groups["Name"].Value, m.Groups["Name"].Value);
}
groupIndices.Sort();
for (Match m = s_CompoundRegex.Match(db); m.Success; m = m.NextMatch())
{
Compound comp = new Compound();
comp.Name = m.Groups["Name"].Value;
comp.Symbol = m.Groups["Sym"].Value;
comp.Index = int.Parse(m.Groups["Index"].Value, CultureInfo.InvariantCulture);
int HfOK, CpOK;
int.TryParse(m.Groups["HfOK"].Value, out HfOK);
int.TryParse(m.Groups["CpOK"].Value, out CpOK);
comp.HeatOK = HfOK != 0 && CpOK != 0;
int j = 0;
while (j < groupIndices.Count && groupIndices[j] < comp.Index)
j++;
if (j != 0)
j--;
if (groupNames.Count > 0)//To stop the program from simply crashing.
comp.Annotation = groupNames[groupIndices[j]];
if (m.Groups["Phase"].Value == "Solid")
comp.Phase = Phases.Solid;
else if (m.Groups["Phase"].Value == "Liquid")
comp.Phase = Phases.Liquid;
else if (m.Groups["Phase"].Value == "Vapour")
comp.Phase = Phases.Gas;
for (int i = 0; i < m.Groups["ElementSym"].Captures.Count; i++)
{
string sym = m.Groups["ElementSym"].Captures[i].Value;
if (CreateElems && !Element.ElementList.ContainsKey(sym))
{
Element.AddElement(new Element(sym
, -1
, double.NaN));
Log.Message("Element '" + sym + "' not found in element database (Found in compound '" + comp.Name + "')",
MessageType.Warning,
new MessageSource(filename));
}
comp.Elements.Add(Element.ElementList[sym],
Fraction.ToFraction(m.Groups["ElemCount"].Captures[i].Value));
}
if (Compound.AddCompound(comp))
{
specieCount++;
}
}
txtFilter_TextChanged(this, new EventArgs());
Log.Message(elementCount.ToString() + " Elements and " + specieCount.ToString() + " Species loaded.",
MessageType.Note,
new MessageSource(filename));
TreeNode newNode = new TreeNode(filename);
//newNode.ContextMenuStrip = menuDatabaseFile;
treeFiles.Nodes["SpecieDB"].Nodes.Add(newNode);
treeFiles.Nodes["SpecieDB"].Expand();
regKey.SetValue("Last Database", filename);
UpdateLastPath(Path.GetDirectoryName(filename));
}
catch (Exception ex)
{
MessageBox.Show(ex.Message, "Open database", MessageBoxButtons.OK, MessageBoxIcon.Error);
Log.Message(ex.Message, MessageType.Error);
}
DoDatabaseChanged();
}
public void AddCompound(Compound c)
{
if (m_Cache.Contains(c))
return;
m_Cache.Add(c);
if (!m_bListOk)
{
if (!string.IsNullOrEmpty(m_RawString.Trim()))
m_RawString += m_RawString.TrimEnd('\r', '\n', ',', ' ') + ", " + c.Symbol;
else
m_RawString = c.Symbol;
}
FireChanged();
}
public void RemoveCompound(Compound c)
{
if (!m_Cache.Contains(c))
return;
while (m_Cache.Contains(c))
m_Cache.Remove(c);
if (!m_bListOk)
{
List<string> temp = new List<string>(m_RawString.Split(new char[] { ',', '\r', '\n' }, StringSplitOptions.RemoveEmptyEntries));
for (int i = temp.Count - 1; i >= 0; i--)
if (temp[i].Trim() == c.Symbol)
temp.RemoveAt(i);
StringBuilder sb = new StringBuilder(temp.Count);
for (int i = 0; i < temp.Count; i++)
if (i < temp.Count - 1)
sb.Append(temp[i] + ", ");
else
sb.Append(temp[i]);
m_RawString = sb.ToString();
}
FireChanged();
}
protected int GetCompoundIndex(List<Compound> orderedComps, Dictionary<Compound, Fraction> Comps, Compound comp)
{
int i = 0;
string tempCompString = "";
while (i < orderedComps.Count)
{
if (orderedComps[i] == comp)
break;
tempCompString += Comps[orderedComps[i]] + " ";
tempCompString += orderedComps[i] + " + ";
i++;
}
return tempCompString.Length;
}
public static bool AddCompound(Compound comp)
{
try
{
CompoundList.Add(comp.Symbol, comp);
return true;
}
catch (Exception ex)
{
if (SilentAddFail)
return false;
else
throw ex;
}
}
public void DoDatabaseChanged()
{
//Extent:
if (m_Extent.Specie != null && !Compound.CompoundList.ContainsKey(m_Extent.Specie.Symbol))
{
Program.Log.Message("Extent specie not found in new database", MessageType.Error);
m_Extent.Specie = null;
}
//HOR:
if (CustomHeatOfReaction && !Compound.CompoundList.ContainsKey(m_HeatOfReactionSpecie.Symbol))
{
Program.Log.Message("Heat of reaction specie not found in new database", MessageType.Error);
m_HeatOfReactionSpecie = null;
FireChanged();
}
//Spaces to force a reparse:
ParseProducts(GetProductsString() + " ");
ParseReactants(GetReactantsString() + " ");
}
public int ReactantIndex(Compound c)
{
return GetCompoundIndex(m_OrderedReactants, m_Reactants, c);
}
public int ProductIndex(Compound c)
{
return GetCompoundIndex(m_OrderedProducts, m_Products, c);
}
public void AddProduct(Compound compound, Fraction fraction, int location)
{
if (!m_bProductsOK)
{
throw new Exception("Attempt to add reactant when product string is unparseable");
}
if (m_Products.ContainsKey(compound))
{
throw new Exception("Attempt to add product that is already in the list of products");
}
//Determine where we want to add the new product:
int i = GetInsertionIndex(m_OrderedProducts, m_Products, location);
m_OrderedProducts.Insert(i, compound);
m_Products.Add(compound, 1.0);
FireChanged();
if (ProductsChanged != null)
ProductsChanged(this, new EventArgs());
}
/// <summary>
/// Changes the tag of this reaction's LVI to point to the backup reaction. Also returns the backup reaction, with itself as a backup.
/// </summary>
public SimpleReaction Revert()
{
this.m_bInitialised = false;
this.SetRegex(s_GeneralReactionRegex.Match(m_Original.ToSaveString(true)), new MessageSource(""), "");
this.Enabled = m_Original.Enabled;
if (!m_Original.CustomHeatOfReaction)
{
this.m_HeatOfReactionSpecie = null;
this.m_dHeatOfReaction = double.NaN;
}
m_bChanged = false;
UpdateStatus(this, new EventArgs());
this.m_bInitialised = true;
return this;
}
