public override void LoadModuleSettings(HashTableSettings settings)
{
// Load random template
Random ran = new Random();
// series
foreach (string serie in serieNames)
{
int r = (int)(ran.NextDouble() * 255f);
int g = (int)(ran.NextDouble() * 255f);
int b = (int)(ran.NextDouble() * 255f);
Color baseColor = Color.FromArgb(r, g, b);
series[serie] = new AtomMaterial(baseColor);
}
// elements
ElementPTFactory ptElements = ElementPTFactory.Instance;
foreach (PeriodicTableElement element in ptElements)
{
int r = (int)(ran.NextDouble() * 255f);
int g = (int)(ran.NextDouble() * 255f);
int b = (int)(ran.NextDouble() * 255f);
Color baseColor = Color.FromArgb(r, g, b);
IMoleculeMaterial serieMat = null;
series.TryGetValue(element.ChemicalSerie, out serieMat);
elements[element.Symbol] = new MoleculeMaterialTemplate(new AtomMaterial(baseColor), serieMat);
}
}
private void LoadingProcess(object param)
{
LoadingResourcesDlg dlg = (LoadingResourcesDlg)param;
try
{
// load symbols for elements
ElementPTFactory elements = ElementPTFactory.Instance;
System.Drawing.Font font = new System.Drawing.Font("Tahoma", 20);
float onePer = 100.0f / elements.Size;
float prog = 0;
foreach (PeriodicTableElement element in elements)
{
Texture tex = TextTexture.DrawTextToTexture(element.Symbol,
font, device, 64, 64).Texture;
symbolTextures[element.Symbol] = tex;
prog += onePer;
dlg.Progress = (int)prog;
}
dlg.TryClose();
}
catch { }
}
public override void LoadModuleSettings(NuGenSVisualLib.Settings.HashTableSettings settings)
{
// ignore series
// elements
ElementPTFactory ptElements = ElementPTFactory.Instance;
foreach (PeriodicTableElement element in ptElements)
{
int r = 0;
int g = 0;
int b = 0;
// calc group (103/35)
int group = (int)((float)element.AtomicNumber / 35f);
// calc shade
int index = element.AtomicNumber - (group * 35);
int clr1, clr2, clr3;
int amt = (int)((float)index * 5.55f);
if (index < 18)
{
// light
clr1 = 255;
clr2 = clr3 = 100 - amt;
}
else
{
// dark
clr1 = 255 - amt;
clr2 = clr3 = 0;
}
if (group == 0)
{
r = clr1;
g = clr2;
b = clr3;
}
else if (group == 1)
{
r = clr2;
g = clr1;
b = clr3;
}
else
{
r = clr2;
g = clr3;
b = clr1;
}
Color baseColor = Color.FromArgb(r, g, b);
elements[element.Symbol] = new MoleculeMaterialTemplate(new AtomMaterial(baseColor), null);
}
}
public override void LoadModuleSettings(HashTableSettings settings)
{
//settings["Materials.Molecules.IMoleculeMaterialLookup"] = this;
// load molecule settings from xml resource
ColorConverter cc = new ColorConverter();
Stream str = Assembly.GetExecutingAssembly().GetManifestResourceStream("NuGenSVisualLib.Molecule.config");
XmlDocument doc = new XmlDocument();
doc.Load(str);
// load series settings
XmlNodeList series = doc.SelectNodes("configuration/chemicalSeries/chemicalSerie");
foreach (XmlNode serie in series)
{
string id = serie.Attributes["id"].InnerText;
Color baseColor = (Color)cc.ConvertFromString(serie.SelectSingleNode("color").Attributes["desc"].InnerText);
this.series[id] = new AtomMaterial(baseColor);
}
// load symbols
XmlNodeList symbols = doc.SelectNodes("configuration/chemicalSymbols/symbol");
ElementPTFactory ptElements = ElementPTFactory.Instance;
foreach (XmlNode symbol in symbols)
{
string id = symbol.Attributes["id"].InnerText;
Color baseColor = (Color)cc.ConvertFromString(symbol.SelectSingleNode("color").Attributes["desc"].InnerText);
PeriodicTableElement element = ptElements.getElement(id);
IMoleculeMaterial serie = null;
this.series.TryGetValue(element.ChemicalSerie, out serie);
elements[id] = new MoleculeMaterialTemplate(new AtomMaterial(baseColor), serie);
}
}
private void CreatePreviewMolecule()
{
atoms = new IAtom[] { new Atom("O", new Point3d(0, 0, 0)), new Atom("H", new Point3d(0, 0, 1)) };
ElementPTFactory elements = ElementPTFactory.Instance;
foreach (IAtom atom in atoms)
{
PeriodicTableElement pe = elements.getElement(atom.Symbol);
if (pe != null)
{
atom.AtomicNumber = pe.AtomicNumber;
atom.Properties["PeriodicTableElement"] = pe;
atom.Properties["Period"] = int.Parse(pe.Period);
}
}
bonds = new IBond[] { new Bond(atoms[0], atoms[1], 1) };
projMat = Matrix.PerspectiveFovLH((float)Math.PI / 4.0f, Width / Height, 0.1f, 20);
viewMat = Matrix.LookAtLH(new Vector3(2, 3, -1), new Vector3(0, 0, 1), new Vector3(0, 1, 0));
}
public Texture this[string symbol]
{
get
{
Texture tex = null;
if (symbolTextures.TryGetValue(symbol, out tex))
{
return(tex);
}
// try load
ElementPTFactory elements = ElementPTFactory.Instance;
PeriodicTableElement element = elements.getElement(symbol);
if (element != null)
{
System.Drawing.Font font = new System.Drawing.Font("Tahoma", 20);
tex = TextTexture.DrawTextToTexture(element.Symbol,
font, device, 64, 64).Texture;
return(symbolTextures[element.Symbol] = tex);
}
return(null);
}
}
private void CreatePreviewData()
{
atoms = new IAtom[] { new Atom("O", new Point3d(0, 0, 0)) };
ElementPTFactory elements = ElementPTFactory.Instance;
foreach (IAtom atom in atoms)
{
PeriodicTableElement pe = elements.getElement(atom.Symbol);
if (pe != null)
{
atom.AtomicNumber = pe.AtomicNumber;
atom.Properties["PeriodicTableElement"] = pe;
atom.Properties["Period"] = int.Parse(pe.Period);
}
}
projMat = Matrix.PerspectiveFovLH((float)Math.PI / 4.0f, Width / Height, 0.1f, 20);
viewMat = Matrix.LookAtLH(new Vector3(2, 0, 0), new Vector3(0, 0, 0), new Vector3(0, 1, 0));
latestCoDesc = CompleteOutputDescription.New();
latestCoDesc.SchemeSettings = new BallAndStickSchemeSettings();
latestCoDesc.SchemeSettings.AtomLOD = 3;
}
private static void ProcessChemModel(IChemModel chemModel, ISettings settings, FileUsage usage,
MoleculeLoadingResults results, MoleculeProcessingProgress progress,
float sectionSz)
{
//if (ChemModelManipulator.getAllInOneContainer(chemModel).getBondCount() == 0)
//{
// return;
//}
// check for coordinates
if ((GeometryTools.has2DCoordinatesNew(ChemModelManipulator.getAllInOneContainer(chemModel)) != 0))//
{
results.Num2DCoords++;
}
// usage == FileUsage.TwoD)
//{
// throw new UserLevelException("File has no 2D coords", UserLevelException.ExceptionType.FileLoading,
// typeof(MoleculeLoader), null);
//}
if ((GeometryTools.has2DCoordinatesNew(ChemModelManipulator.getAllInOneContainer(chemModel)) != 0))// &&
{
results.Num3DCoords++;
}
// usage == FileUsage.ThreeD)
//{
// throw new UserLevelException("File has no 3D coords", UserLevelException.ExceptionType.FileLoading,
// typeof(MoleculeLoader), null);
//}
ElementPTFactory elements = ElementPTFactory.Instance;
// calc item sz
int numItems = 0;
if (chemModel.SetOfMolecules != null)
{
results.NumMolecules += chemModel.SetOfMolecules.MoleculeCount;
for (int mol = 0; mol < chemModel.SetOfMolecules.MoleculeCount; mol++)
{
numItems += chemModel.SetOfMolecules.Molecules[mol].Atoms.Length;
//numItems += chemModel.SetOfMolecules.Molecules[mol].Bonds.Length;
}
}
float itemSz = sectionSz / (float)numItems;
if (chemModel.SetOfMolecules != null)
{
results.NumMolecules += chemModel.SetOfMolecules.MoleculeCount;
for (int mol = 0; mol < chemModel.SetOfMolecules.MoleculeCount; mol++)
{
IMolecule molecule = chemModel.SetOfMolecules.Molecules[mol];
results.NumAtoms += molecule.Atoms.Length;
results.NumBonds += molecule.Bonds.Length;
foreach (IAtom atom in molecule.Atoms)
{
PeriodicTableElement pe = elements.getElement(atom.Symbol);
if (pe != null)
{
atom.AtomicNumber = pe.AtomicNumber;
atom.Properties["PeriodicTableElement"] = pe;
atom.Properties["Period"] = int.Parse(pe.Period);
}
else
{
progress.Log(string.Format("Failed to find periodic element: {0}", atom.Symbol), LogItem.ItemLevel.Failure);
}
progress.UpdateProgress(itemSz);
}
progress.Log(string.Format("Processed {0} atoms", molecule.Atoms.Length), LogItem.ItemLevel.Info);
}
}
progress.Log("Processed Model", LogItem.ItemLevel.Success);
}
