/// <summary>
/// Determines the features present in the given <see cref="IAtomContainer"/>.
/// </summary>
/// <param name="molecule">IAtomContainer to determine the features off</param>
/// <returns>integer representation of the present features</returns>
public static DataFeatures GetSupportedDataFeatures(IAtomContainer molecule)
{
DataFeatures features = DataFeatures.None;
if (MoleculeFeaturesTool.HasElementSymbols(molecule))
{
features = features | DataFeatures.HasAtomElementSymbol;
}
if (GeometryUtil.Has2DCoordinates(molecule))
{
features = features | DataFeatures.Has2DCoordinates;
}
if (GeometryUtil.Has3DCoordinates(molecule))
{
features = features | DataFeatures.Has3DCoordinates;
}
if (CrystalGeometryTools.HasCrystalCoordinates(molecule))
{
features = features | DataFeatures.HasFractionalCrystalCoordinates;
}
if (MoleculeFeaturesTool.HasFormalCharges(molecule))
{
features = features | DataFeatures.HasAtomFormalCharges;
}
if (MoleculeFeaturesTool.HasPartialCharges(molecule))
{
features = features | DataFeatures.HasAtomPartialCharges;
}
if (MoleculeFeaturesTool.HasGraphRepresentation(molecule))
{
features = features | DataFeatures.HasGraphRepresentation;
}
return(features);
}
public JObject GetResponse(DataFeatures feature, string stationId)
{
Uri uri = new Uri(
string.Format("http://api.wunderground.com/api/{0}/{1}/q/zmw:{2}.json", apiKey, dataFeaturesUrlMap[feature], stationId));
return(GetServiceResponse(uri));
}
/// <summary>
/// Finds IChemFormats that provide a container for serialization for the
/// given features. The syntax of the integer is explained in the DataFeatures class.
/// </summary>
/// <param name="features">the data features for which a IChemFormat is searched</param>
/// <returns>an array of IChemFormat's that can contain the given features</returns>
/// <seealso cref="Tools.DataFeatures"/>
public IChemFormat[] FindChemFormats(DataFeatures features)
{
if (formats == null)
{
LoadFormats();
}
List <IChemFormat> matches = new List <IChemFormat>();
foreach (var format in formats)
{
if ((format.SupportedDataFeatures & features) == features)
{
matches.Add(format);
}
}
return(matches.ToArray());
}
public JObject GetResponse(DataFeatures feature, string stationId)
{
Uri uri = new Uri(
string.Format("http://api.wunderground.com/api/{0}/{1}/q/zmw:{2}.json", apiKey, dataFeaturesUrlMap[feature], stationId));
return GetServiceResponse(uri);
}