private void rotateShiftAtoms ( Atom [ ] ca ) { for ( int i = 0 ; i < ca . length ; i ++ ) { Atom c = ca [ i ] ; Calc . rotate ( c , currentRotMatrix ) ; Calc . shift ( c , currentTranMatrix ) ; //System.out.println("after " + c); ca [ i ] = c ; } //System.out.println("after " + ca[0]); }
rotate and shift atoms with currentRotMatrix and current Tranmatrix