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Uses of JniInchiAtom in net.sf.jniinchi |
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Methods in net.sf.jniinchi that return JniInchiAtom | |
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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)
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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 | |
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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 | |
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JniInchiBond(JniInchiAtom atO,
JniInchiAtom atT,
INCHI_BOND_TYPE type)
Create bond. |
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JniInchiBond(JniInchiAtom atO,
JniInchiAtom atT,
INCHI_BOND_TYPE type,
INCHI_BOND_STEREO stereo)
Create bond. |
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JniInchiStereo0D(JniInchiAtom atC,
JniInchiAtom at0,
JniInchiAtom at1,
JniInchiAtom at2,
JniInchiAtom at3,
INCHI_STEREOTYPE type,
INCHI_PARITY parity)
Constructor. |
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