@Test public void testGetPoint3d() throws Exception { IAtom a = new Atom(); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).x,0.0)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).y,0.0)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).z,0.0)); a.setPoint2d(new Point2d(2.6, -4.2)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).x,2.6)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).y,-4.2)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).z,0.0)); a.setPoint3d(new Point3d(2.6, -4.2, 6.4)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).x,2.6)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).y,-4.2)); assertTrue(areCloseEnough(FragmentUtils.getPoint3d(a).z,6.4)); assertFalse(areCloseEnough(1.00001, 1.00002)); }
public static Point3d getPoint3d(IAtom atm) { Point3d p = atm.getPoint3d(); if (p == null) { Point2d p2d = atm.getPoint2d(); if (p2d == null) { p = new Point3d(0.0, 0.0, 0.0); } else { p = new Point3d(p2d.x, p2d.y, 0.0); } } return p; }
FragmentUtils { public static Point3d getPoint3d(IAtom atm) { Point3d p = atm.getPoint3d(); if (p == null) { Point2d p2d = atm.getPoint2d(); if (p2d == null) { p = new Point3d(0.0, 0.0, 0.0); } else { p = new Point3d(p2d.x, p2d.y, 0.0); } } return p; } }
FragmentUtils { public static Point3d getPoint3d(IAtom atm) { Point3d p = atm.getPoint3d(); if (p == null) { Point2d p2d = atm.getPoint2d(); if (p2d == null) { p = new Point3d(0.0, 0.0, 0.0); } else { p = new Point3d(p2d.x, p2d.y, 0.0); } } return p; }  }
FragmentUtils { public static Point3d getPoint3d(IAtom atm) { Point3d p = atm.getPoint3d(); if (p == null) { Point2d p2d = atm.getPoint2d(); if (p2d == null) { p = new Point3d(0.0, 0.0, 0.0); } else { p = new Point3d(p2d.x, p2d.y, 0.0); } } return p; }  @Deprecated static ArrayList<String> getClassesForFragment(IAtomContainer mol); static ArrayList<DENOPTIMAttachmentPoint> getAPForFragment(int idx ,
                                             int ftype); static ArrayList<DENOPTIMAttachmentPoint> getAPForFragment(
                                    IAtomContainer mol); static ArrayList<SymmetricSet> getMatchingAP(IAtomContainer mol,
                                        ArrayList<DENOPTIMAttachmentPoint> daps); static int getCorrespondingAtomNumber(
	       ArrayList<DENOPTIMVertexAtom> lstDVA, int vertexId, int dap_anum); static String getFragmentType(int ftype); static Point3d getPoint3d(IAtom atm); }
FragmentUtils { public static Point3d getPoint3d(IAtom atm) { Point3d p = atm.getPoint3d(); if (p == null) { Point2d p2d = atm.getPoint2d(); if (p2d == null) { p = new Point3d(0.0, 0.0, 0.0); } else { p = new Point3d(p2d.x, p2d.y, 0.0); } } return p; }  @Deprecated static ArrayList<String> getClassesForFragment(IAtomContainer mol); static ArrayList<DENOPTIMAttachmentPoint> getAPForFragment(int idx ,
                                             int ftype); static ArrayList<DENOPTIMAttachmentPoint> getAPForFragment(
                                    IAtomContainer mol); static ArrayList<SymmetricSet> getMatchingAP(IAtomContainer mol,
                                        ArrayList<DENOPTIMAttachmentPoint> daps); static int getCorrespondingAtomNumber(
	       ArrayList<DENOPTIMVertexAtom> lstDVA, int vertexId, int dap_anum); static String getFragmentType(int ftype); static Point3d getPoint3d(IAtom atm);  }