public class FragmentAtom extends PseudoAtom implements IFragmentAtom
Group concept.IAtomType.Hybridizationcharge, fractionalPoint3d, hydrogenCount, point2d, point3d, stereoParityelectronValency, formalCharge, formalNeighbourCount, hybridizationexactMass, naturalAbundanceatomicNumberAc, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Mc, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Nh, Ni, No, Np, O, Og, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, Ts, U, V, W, Wildcard, Xe, Y, Yb, Zn, Zr| Constructor and Description |
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FragmentAtom() |
| Modifier and Type | Method and Description |
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IFragmentAtom |
clone()
Clones this atom object and its content.
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Double |
getExactMass()
The exact mass of an FragmentAtom is defined as the sum of exact masses
of the IAtom's in the fragment.
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IAtomContainer |
getFragment()
Returns the fully expended form of the IFragmentAtom.
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boolean |
isExpanded()
Helper method to indicate that the method should be drawn fully, and not
just the abbreviated form.
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void |
setExactMass(Double mass)
Sets the ExactMass attribute of the Isotope object.
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void |
setExpanded(boolean bool)
Sets whether this atom is to be fully drawn and not just in the abbreviated form.
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void |
setFragment(IAtomContainer fragment)
Sets the fully expended form of the IFragmentAtom.
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String |
toString()
Returns a one line string representation of this Atom.
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getAttachPointNum, getLabel, setAttachPointNum, setLabel, setStereoParitybonds, compare, equals, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, hashCode, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setPoint2d, setPoint3dgetAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValencygetMassNumber, getNaturalAbundance, setMassNumber, setNaturalAbundancegetAtomicNumber, getSymbol, setAtomicNumber, setSymboladdListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, shallowCopyfinalize, getClass, notify, notifyAll, wait, wait, waitgetAttachPointNum, getLabel, setAttachPointNum, setLabelbonds, getBond, getBondCount, getCharge, getContainer, getFractionalPoint3d, getImplicitHydrogenCount, getIndex, getMapIdx, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMapIdx, setPoint2d, setPoint3d, setStereoParitygetAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValencygetMassNumber, getNaturalAbundance, setMassNumber, setNaturalAbundancegetAtomicNumber, getSymbol, setAtomicNumber, setSymboladdListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setPropertygetBuilderpublic boolean isExpanded()
IFragmentAtomisExpanded in interface IFragmentAtompublic void setExpanded(boolean bool)
IFragmentAtomsetExpanded in interface IFragmentAtombool - true if the full structure should be drawnpublic IAtomContainer getFragment()
IFragmentAtomgetFragment in interface IFragmentAtompublic void setFragment(IAtomContainer fragment)
IFragmentAtomsetFragment in interface IFragmentAtomfragment - The fragmentpublic void setExactMass(Double mass)
IsotopesetExactMass in interface IIsotopesetExactMass in class Isotopemass - The new ExactMass valueIsotope.getExactMass()public Double getExactMass()
getExactMass in interface IIsotopegetExactMass in class IsotopeIsotope.setExactMass(java.lang.Double)public String toString()
PseudoAtomtoString in interface IChemObjecttoString in class PseudoAtompublic IFragmentAtom clone() throws CloneNotSupportedException
Atomclone in interface IAtomclone in interface IChemObjectclone in interface IPseudoAtomclone in class PseudoAtomCloneNotSupportedException - if the IChemObject cannot be clonedCopyright © 2021. All rights reserved.