/** * Sets the partial charge of this atom. * * @param charge The partial charge * * @see #getCharge */ @Override public void setCharge(Double charge) { this.charge = charge; notifyChanged(); }
/** * Sets the number of implicit hydrogen count of this atom. * * @param hydrogenCount The number of hydrogen atoms bonded to this atom. * * @see #getImplicitHydrogenCount */ @Override public void setImplicitHydrogenCount(Integer hydrogenCount) { this.hydrogenCount = hydrogenCount; notifyChanged(); }
/** * Sets the atomic number of this element. * * @param atomicNumber The atomic mass to be assigned to this element * * @see #getAtomicNumber */ @Override public void setAtomicNumber(Integer atomicNumber) { this.atomicNumber = atomicNumber; notifyChanged(); }
/** * Sets the formal charge of this atom. * * @param charge The formal charge * * @see #getFormalCharge */ @Override public void setFormalCharge(Integer charge) { this.formalCharge = charge; notifyChanged(); }
/** * Sets the NaturalAbundance attribute of the Isotope object. * * @param naturalAbundance The new NaturalAbundance value * * @see #getNaturalAbundance */ @Override public void setNaturalAbundance(Double naturalAbundance) { this.naturalAbundance = naturalAbundance; notifyChanged(); }
/** * Sets the the exact electron valency of the AtomType object. * * @param valency The new valency value * @see #getValency * */ @Override public void setValency(Integer valency) { this.electronValency = valency; notifyChanged(); }
/** * Sets the the exact bond order sum attribute of the AtomType object. * * @param bondOrderSum The new bondOrderSum value * * @see #getBondOrderSum */ @Override public void setBondOrderSum(Double bondOrderSum) { this.bondOrderSum = bondOrderSum; notifyChanged(); }
/** * Sets the atomic mass of this element. * * @param massNumber The atomic mass to be assigned to this element * * @see #getMassNumber */ @Override public void setMassNumber(Integer massNumber) { this.massNumber = massNumber; notifyChanged(); }
/** * Sets the MaxBondOrder attribute of the AtomType object. * * @param maxBondOrder The new MaxBondOrder value * * @see #getMaxBondOrder */ @Override public void setMaxBondOrder(IBond.Order maxBondOrder) { this.maxBondOrder = maxBondOrder; notifyChanged(); }
/** * Sets the hybridization of this atom. * * @param hybridization The hybridization * * @see #getHybridization */ @Override public void setHybridization(IAtomType.Hybridization hybridization) { this.hybridization = hybridization; notifyChanged(); }
/** * Sets the covalent radius for this AtomType. * * @param radius The covalent radius for this AtomType * @see #getCovalentRadius */ @Override public void setCovalentRadius(Double radius) { this.covalentRadius = radius; notifyChanged(); }
/** * Sets the if attribute of the AtomType object. * * @param identifier The new AtomTypeID value. Null if unset. * * @see #getAtomTypeName */ @Override public void setAtomTypeName(String identifier) { this.identifier = identifier; notifyChanged(); }
/** * Sets the formal neighbour count of this atom. * * @param count The neighbour count * * @see #getFormalNeighbourCount */ @Override public void setFormalNeighbourCount(Integer count) { this.formalNeighbourCount = count; notifyChanged(); }
/** * Sets the ExactMass attribute of the Isotope object. * * @param exactMass The new ExactMass value * * @see #getExactMass */ @Override public void setExactMass(Double exactMass) { this.exactMass = exactMass; notifyChanged(); }
/** * Sets the element symbol of this element. * * @param symbol The element symbol to be assigned to this atom * * @see #getSymbol */ @Override public void setSymbol(String symbol) { this.symbol = symbol; notifyChanged(); }
/** * Sets the stereo parity for this atom. * * @param stereoParity The stereo parity for this atom * * @see org.openscience.cdk.CDKConstants for predefined values. * @see #getStereoParity */ @Override public void setStereoParity(Integer stereoParity) { this.stereoParity = stereoParity; notifyChanged(); }
/** * Sets a point specifying the location of this * atom in a Crystal unit cell. * * @param point3d A point in a 3d fractional unit cell space * * @see #getFractionalPoint3d * @see org.openscience.cdk.Crystal */ @Override public void setFractionalPoint3d(Point3d point3d) { this.fractionalPoint3d = point3d; notifyChanged(); }
/** * * Sets a point specifying the location of this * atom in 3D space. * * @param point3d A point in a 3-dimensional space * * @see #getPoint3d */ @Override public void setPoint3d(Point3d point3d) { this.point3d = point3d; notifyChanged(); }
/** * * Sets a point specifying the location of this * atom in a 2D space. * * @param point2d A point in a 2D plane * * @see #getPoint2d */ @Override public void setPoint2d(Point2d point2d) { this.point2d = point2d; notifyChanged(); }