C# (CSharp) Org.OpenScience.CDK.Tools.Manipulator SetOfAtomContainersManipulator Examples

Example #1

 /// <seealso cref="SetOfAtomContainersManipulator">
 /// </seealso>
 public static double getTotalFormalCharge(ISetOfMolecules set_Renamed)
 {
     return(SetOfAtomContainersManipulator.getTotalFormalCharge(set_Renamed));
 }

Example #2

 /// <seealso cref="SetOfAtomContainersManipulator">
 /// </seealso>
 public static int getTotalHydrogenCount(ISetOfMolecules set_Renamed)
 {
     return(SetOfAtomContainersManipulator.getTotalHydrogenCount(set_Renamed));
 }

Example #3

 public static void removeElectronContainer(ISetOfMolecules set_Renamed, IElectronContainer electrons)
 {
     SetOfAtomContainersManipulator.removeElectronContainer(set_Renamed, electrons);
 }

Example #4

 /// <summary> Returns all the AtomContainer's of a SetOfMolecules.</summary>
 public static IAtomContainer[] getAllAtomContainers(ISetOfMolecules set_Renamed)
 {
     return(SetOfAtomContainersManipulator.getAllAtomContainers(set_Renamed));
 }

Example #5

 public static void removeAtomAndConnectedElectronContainers(ISetOfMolecules set_Renamed, IAtom atom)
 {
     SetOfAtomContainersManipulator.removeAtomAndConnectedElectronContainers(set_Renamed, atom);
 }

Example #6

 public static int getBondCount(ISetOfAtomContainers set_Renamed)
 {
     return(SetOfAtomContainersManipulator.getBondCount(set_Renamed));
 }

Example #7

 public static System.Collections.IList getAllChemObjects(ISetOfMolecules set_Renamed)
 {
     return(SetOfAtomContainersManipulator.getAllChemObjects(set_Renamed));
 }

Example #8

 public static IAtomContainer getRelevantAtomContainer(ISetOfMolecules moleculeSet, IBond bond)
 {
     return(SetOfAtomContainersManipulator.getRelevantAtomContainer(moleculeSet, bond));
 }

Example #9

 public static void setAtomProperties(ISetOfMolecules set_Renamed, System.Object propKey, System.Object propVal)
 {
     SetOfAtomContainersManipulator.setAtomProperties(set_Renamed, propKey, propVal);
 }