Uses of Class
org.openscience.cdk.interfaces.ITetrahedralChirality.Stereo
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Packages that use ITetrahedralChirality.Stereo Package Description org.openscience.cdk.geometry.cip org.openscience.cdk.interfaces org.openscience.cdk.stereo -
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Uses of ITetrahedralChirality.Stereo in org.openscience.cdk.geometry.cip
Methods in org.openscience.cdk.geometry.cip with parameters of type ITetrahedralChirality.Stereo Modifier and Type Method Description static org.openscience.cdk.geometry.cip.LigancyFourChirality
CIPTool. defineLigancyFourChirality(IAtomContainer container, int chiralAtom, int ligand1, int ligand2, int ligand3, int ligand4, ITetrahedralChirality.Stereo stereo)
Creates a ligancy for chirality around a single chiral atom, where the involved atoms are identified by there index in theIAtomContainer
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Uses of ITetrahedralChirality.Stereo in org.openscience.cdk.interfaces
Methods in org.openscience.cdk.interfaces that return ITetrahedralChirality.Stereo Modifier and Type Method Description ITetrahedralChirality.Stereo
ITetrahedralChirality. getStereo()
Defines the stereochemistry around the chiral atom.ITetrahedralChirality.Stereo
ITetrahedralChirality.Stereo. invert()
Invert this conformation, inv(clockwise) = anti_clockwise, inv(anti_clockwise) = clockwise.static ITetrahedralChirality.Stereo
ITetrahedralChirality.Stereo. toStereo(int cfg)
static ITetrahedralChirality.Stereo
ITetrahedralChirality.Stereo. valueOf(String name)
Returns the enum constant of this type with the specified name.static ITetrahedralChirality.Stereo[]
ITetrahedralChirality.Stereo. values()
Returns an array containing the constants of this enum type, in the order they are declared.Methods in org.openscience.cdk.interfaces with parameters of type ITetrahedralChirality.Stereo Modifier and Type Method Description void
ITetrahedralChirality. setStereo(ITetrahedralChirality.Stereo stereo)
Set the stereochemistry of this tetrahedral centre.static int
ITetrahedralChirality.Stereo. toConfig(ITetrahedralChirality.Stereo stereo)
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Uses of ITetrahedralChirality.Stereo in org.openscience.cdk.stereo
Methods in org.openscience.cdk.stereo that return ITetrahedralChirality.Stereo Modifier and Type Method Description static ITetrahedralChirality.Stereo
StereoTool. getStereo(IAtom atom1, IAtom atom2, IAtom atom3, IAtom atom4)
Take four atoms, and return Stereo.CLOCKWISE or Stereo.ANTI_CLOCKWISE.ITetrahedralChirality.Stereo
TetrahedralChirality. getStereo()
ITetrahedralChirality.Stereo
ExtendedTetrahedral. winding()
The winding of the peripherals, when viewed from the first atom.Methods in org.openscience.cdk.stereo with parameters of type ITetrahedralChirality.Stereo Modifier and Type Method Description void
TetrahedralChirality. setStereo(ITetrahedralChirality.Stereo stereo)
Constructors in org.openscience.cdk.stereo with parameters of type ITetrahedralChirality.Stereo Constructor Description ExtendedTetrahedral(IAtom focus, IAtom[] peripherals, ITetrahedralChirality.Stereo winding)
Create an extended tetrahedral stereo element for the provided 'focus' and 'peripherals' in the given 'winding'.TetrahedralChirality(IAtom chiralAtom, IAtom[] ligands, ITetrahedralChirality.Stereo stereo)
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