public double [ ] findGridBoundaries ( ) { IAtom [ ] atoms = AtomContainerManipulator . getAtomArray ( protein ) ; double [ ] minMax = new double [ 6 ] ; minMax [ 0 ] = atoms [ 0 ] . getPoint3d ( ) . x ; minMax [ 1 ] = atoms [ 0 ] . getPoint3d ( ) . x ; minMax [ 2 ] = atoms [ 0 ] . getPoint3d ( ) . y ; minMax [ 3 ] = atoms [ 0 ] . getPoint3d ( ) . y ; minMax [ 4 ] = atoms [ 0 ] . getPoint3d ( ) . z ; minMax [ 5 ] = atoms [ 0 ] . getPoint3d ( ) . z ; for ( int i = 0 ; i < atoms . length ; i ++ ) { if ( atoms [ i ] . getPoint3d ( ) . x > minMax [ 1 ] ) { minMax [ 1 ] = atoms [ i ] . getPoint3d ( ) . x ; } else if ( atoms [ i ] . getPoint3d ( ) . y > minMax [ 3 ] ) { minMax [ 3 ] = atoms [ i ] . getPoint3d ( ) . y ; } else if ( atoms [ i ] . getPoint3d ( ) . z > minMax [ 5 ] ) { minMax [ 5 ] = atoms [ i ] . getPoint3d ( ) . z ; } else if ( atoms [ i ] . getPoint3d ( ) . x < minMax [ 0 ] ) { minMax [ 0 ] = atoms [ i ] . getPoint3d ( ) . x ; } else if ( atoms [ i ] . getPoint3d ( ) . y < minMax [ 2 ] ) { minMax [ 2 ] = atoms [ i ] . getPoint3d ( ) . y ; } else if ( atoms [ i ] . getPoint3d ( ) . z < minMax [ 4 ] ) { minMax [ 4 ] = atoms [ i ] . getPoint3d ( ) . z ; } } return minMax ; }
Method determines the minimum and maximum values of a coordinate space up to 3D space .