Uses of Class
qsardes.molecule.Molecule

Packages that use Molecule

Package	Description
qsardes.atomconst
qsardes.descriptor
qsardes.descriptor.qsarme
qsardes.descriptor.qsarwb

Uses of Molecule in qsardes.atomconst

Methods in qsardes.atomconst with parameters of type Molecule

Modifier and Type	Method	Description
AtomConstResult	AtomConstAllRochElectrNeg.call(Molecule mol)
AtomConstResult	AtomConstCharge.call(Molecule mol)
AtomConstResult	AtomConstFirstIonizPot.call(Molecule mol)
AtomConstResult	AtomConstFunctionCall.call(Molecule mol)
AtomConstResult	AtomConstIntrState.call(Molecule mol)
AtomConstResult	AtomConstIntrStateH.call(Molecule mol)
AtomConstResult	AtomConstMass.call(Molecule mol)
AtomConstResult	AtomConstNum.call(Molecule mol)
AtomConstResult	AtomConstPaulElectrNeg.call(Molecule mol)
AtomConstResult	AtomConstPolariz.call(Molecule mol)
AtomConstResult	AtomConstSandElectrNeg.call(Molecule mol)
AtomConstResult	AtomConstSigma.call(Molecule mol)
AtomConstResult	AtomConstValence.call(Molecule mol)
AtomConstResult	AtomConstVanWRad.call(Molecule mol)
AtomConstResult	AtomConstVanWVol.call(Molecule mol)

Uses of Molecule in qsardes.descriptor

Methods in qsardes.descriptor that return Molecule

Modifier and Type	Method	Description
protected Molecule	DescriptorExtendedTopochemIndex.get_mol()

Methods in qsardes.descriptor with parameters of type Molecule

Modifier and Type	Method	Description
protected abstract Molecule.IntrState	DescriptorElectrTopolStateIndex.get_intrinsic_state(Molecule mol, org.openscience.cdk.interfaces.IAtom atom)

Uses of Molecule in qsardes.descriptor.qsarme

Methods in qsardes.descriptor.qsarme with parameters of type Molecule

Modifier and Type	Method	Description
protected Molecule.IntrState	QsarMEElectrTopolStateIndex.get_intrinsic_state(Molecule mol, org.openscience.cdk.interfaces.IAtom atom)

Uses of Molecule in qsardes.descriptor.qsarwb

Methods in qsardes.descriptor.qsarwb with parameters of type Molecule

Modifier and Type	Method	Description
protected Molecule.IntrState	QsarWBElectrTopolStateIndex.get_intrinsic_state(Molecule mol, org.openscience.cdk.interfaces.IAtom atom)