22import static org.junit.jupiter.api.Assertions.assertFalse;
23import static org.junit.jupiter.api.Assertions.assertTrue;
25import javax.vecmath.Point3d;
27import org.junit.jupiter.api.Test;
28import org.openscience.cdk.Atom;
29import org.openscience.cdk.silent.Bond;
31import denoptim.exception.DENOPTIMException;
47 for (
int i=0; i<size; i++)
49 Atom a =
new Atom(
"C",
new Point3d());
51 for (
int j=0; j<i; j++)
70 inspector.reportTimeoutIncidents =
false;
74 inspector.reportTimeoutIncidents =
false;
static APClass make(String ruleAndSubclass)
Creates an APClass if it does not exist already, or returns the reference to the existing instance.
Class representing a continuously connected portion of chemical object holding attachment points.
AttachmentPoint addAPOnAtom(IAtom srcAtm, APClass apc, Point3d vector)
Add an attachment point to the specifies atom.
IAtom getAtom(int number)
boolean isomorphismExists()
Checks if an isomorphism exists between the two fragments.
Unit test for isomorphism inspector.
static Fragment makePathologicalFragment(int size)