Uses of Class
net.sf.jniinchi.JniInchiAtom

Uses of JniInchiAtom in net.sf.jniinchi
 

Methods in net.sf.jniinchi that return JniInchiAtom
 JniInchiAtom JniInchiStructure.addAtom(JniInchiAtom atom)
          Adds atom to inchi molecule.
 JniInchiAtom JniInchiStructure.getAtom(int i)
          Returns atom from structure.
 JniInchiAtom JniInchiStereo0D.getCentralAtom()
          Returns central atom of stereo parity.
 JniInchiAtom JniInchiStereo0D.getNeighbor(int i)
           
 JniInchiAtom[] JniInchiStereo0D.getNeighbors()
          Returns neighboring atoms of stereo parity.
 JniInchiAtom JniInchiBond.getOriginAtom()
          Returns atom at bond origin.
 JniInchiAtom JniInchiBond.getTargetAtom()
          Returns atom at bond target.
 

Methods in net.sf.jniinchi with parameters of type JniInchiAtom
 JniInchiAtom JniInchiStructure.addAtom(JniInchiAtom atom)
          Adds atom to inchi molecule.
 void JniInchiStructure.addAtoms(JniInchiAtom... atoms)
          Convenience method to add multiple atoms to molecule.
static JniInchiStereo0D JniInchiStereo0D.createNewDoublebondStereo0D(JniInchiAtom at0, JniInchiAtom at1, JniInchiAtom at2, JniInchiAtom at3, INCHI_PARITY parity)
          Convenience method for generating 0D stereo parities at stereogenic double bonds.
static JniInchiStereo0D JniInchiStereo0D.createNewTetrahedralStereo0D(JniInchiAtom atC, JniInchiAtom at0, JniInchiAtom at1, JniInchiAtom at2, JniInchiAtom at3, INCHI_PARITY parity)
          Convenience method for generating 0D stereo parities at tetrahedral atom centres.
 

Constructors in net.sf.jniinchi with parameters of type JniInchiAtom
JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type)
          Create bond.
JniInchiBond(JniInchiAtom atO, JniInchiAtom atT, INCHI_BOND_TYPE type, INCHI_BOND_STEREO stereo)
          Create bond.
JniInchiStereo0D(JniInchiAtom atC, JniInchiAtom at0, JniInchiAtom at1, JniInchiAtom at2, JniInchiAtom at3, INCHI_STEREOTYPE type, INCHI_PARITY parity)
          Constructor.
 



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