Uses of Class
org.openscience.cdk.pharmacophore.PharmacophoreQueryAtom

Packages that use PharmacophoreQueryAtom

Package	Description
org.openscience.cdk.pharmacophore

Uses of PharmacophoreQueryAtom in org.openscience.cdk.pharmacophore

Constructors in org.openscience.cdk.pharmacophore with parameters of type PharmacophoreQueryAtom

Constructor and Description
PharmacophoreQueryAngleBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, PharmacophoreQueryAtom atom3, double angle) Create a query angle constraint between three query groups.
PharmacophoreQueryAngleBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, PharmacophoreQueryAtom atom3, double lower, double upper) Create a query angle constraint between three query groups.
PharmacophoreQueryBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, double distance) Create a query distance constraint between two query groups.
PharmacophoreQueryBond(PharmacophoreQueryAtom atom1, PharmacophoreQueryAtom atom2, double lower, double upper) Create a query distance constraint between two query groups.