Uses of Record Class
qsardes.molecule.Molecule.IntrState

Packages that use Molecule.IntrState

Package	Description
qsardes.descriptor
qsardes.descriptor.qsarme
qsardes.descriptor.qsarwb
qsardes.molecule

Uses of Molecule.IntrState in qsardes.descriptor

Methods in qsardes.descriptor that return Molecule.IntrState

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

Uses of Molecule.IntrState in qsardes.descriptor.qsarme

Methods in qsardes.descriptor.qsarme that return Molecule.IntrState

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

Uses of Molecule.IntrState in qsardes.descriptor.qsarwb

Methods in qsardes.descriptor.qsarwb that return Molecule.IntrState

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

Uses of Molecule.IntrState in qsardes.molecule

Methods in qsardes.molecule that return Molecule.IntrState

Modifier and Type	Method	Description
final Molecule.IntrState	Molecule.calc_intrinsic_state_kier_hall(org.openscience.cdk.interfaces.IAtom atom)	Gets atom Kier-Hall intrinsic state value and electrons valence counts.
final Molecule.IntrState	Molecule.calc_intrinsic_state_kier_hall_elneg(org.openscience.cdk.interfaces.IAtom atom)	Gets atom intrinsic state based on Kier-Hall relative electronegativity value, as defined in Molconn-Z, and electrons valence counts.
final Molecule.IntrState	Molecule.calc_intrinsic_state_molconn(org.openscience.cdk.interfaces.IAtom atom)	Gets atom intrinsic state value calculated according to the Molconn-Z valence electrons count definition, and gets electrons valence counts.