[Cctbx-cvs] cctbx/maptbx/boost_python basic_map.cpp,1.2,1.3 tst_maptbx.py,1.38,1.39

[Erik M. <em...@us...>]

Update of /cvsroot/cctbx/cctbx/maptbx/boost_python
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv7547/maptbx/boost_python

Modified Files:
	basic_map.cpp tst_maptbx.py 
Log Message:
basic_map now holds a reference to the unit_cell and also exposes the all() method of the accessor in the underlying data.

Index: basic_map.cpp
===================================================================
RCS file: /cvsroot/cctbx/cctbx/maptbx/boost_python/basic_map.cpp,v
retrieving revision 1.2
retrieving revision 1.3
diff -C2 -d -r1.2 -r1.3
*** basic_map.cpp	14 Sep 2005 08:16:43 -0000	1.2
--- basic_map.cpp	11 Nov 2005 00:28:42 -0000	1.3
***************
*** 17,51 ****
  struct basic_map_wrapper {
  
!   typedef double                        FloatType;
!   typedef signed long                      IntType;
  
!   typedef out_of_bounds<void,FloatType,IntType>        out_of_intf;
!   typedef chiltbx::handle::handle<out_of_intf>        out_of_handle;
    typedef out_of_bounds<raise,FloatType,IntType>        out_of_raise;
!   typedef out_of_bounds<substitute,FloatType,IntType>      out_of_substitute;
    typedef out_of_bounds<clamp,FloatType,IntType>        out_of_clamp;
!   typedef out_of_bounds<interpolate,FloatType,IntType>    out_of_interpolate;
  
!   typedef basic_map<FloatType,IntType>            basic_map_type;
  
!   typedef af::flex_grid<>                    flex_grid;
!   typedef af::c_grid_padded<dimension_3>            c_grid_padded;
!   typedef af::versa<FloatType,flex_grid>            af_versa;
!   typedef af::versa<FloatType,c_grid_padded>          af_c_grid;
!   typedef af::tiny<IntType,dimension_3>            af_extents;
!   typedef cdsa::float_asu<FloatType>              cdsa_float_asu;
!   typedef sgtbx::space_group                  tbx_space_group;
  
!   typedef scitbx::mat3<FloatType>                mat3;
  
!   typedef fractional<FloatType>                frac_type;
!   typedef cartesian<FloatType>                cart_type;
!   typedef grid_point<IntType>                  grid_type;
!   typedef transform<frac_type,grid_type>            f2g_type;
!   typedef transform<frac_type,cart_type>            f2c_type;
!   typedef transform<grid_type,frac_type>            g2f_type;
!   typedef transform<cart_type,frac_type>            c2f_type;
!   typedef transform<grid_type,cart_type>            g2c_type;
!   typedef transform<cart_type,grid_type>            c2g_type;
  
    static void wrap () {
--- 17,52 ----
  struct basic_map_wrapper {
  
!   typedef double                                        FloatType;
!   typedef signed long                                   IntType;
  
!   typedef out_of_bounds<void,FloatType,IntType>         out_of_intf;
!   typedef chiltbx::handle::handle<out_of_intf>          out_of_handle;
    typedef out_of_bounds<raise,FloatType,IntType>        out_of_raise;
!   typedef out_of_bounds<substitute,FloatType,IntType>   out_of_substitute;
    typedef out_of_bounds<clamp,FloatType,IntType>        out_of_clamp;
!   typedef out_of_bounds<interpolate,FloatType,IntType>  out_of_interpolate;
  
!   typedef basic_map<FloatType,IntType>                  basic_map_type;
  
!   typedef af::flex_grid<>                               flex_grid;
!   typedef af::c_grid_padded<dimension_3>                c_grid_padded;
!   typedef af::versa<FloatType,flex_grid>                af_versa;
!   typedef af::versa<FloatType,c_grid_padded>            af_c_grid;
!   typedef af::tiny<IntType,dimension_3>                 af_extents;
!   typedef cdsa::float_asu<FloatType>                    cdsa_float_asu;
!   typedef sgtbx::space_group                            tbx_space_group;
!   typedef cctbx::uctbx::unit_cell                       tbx_unit_cell;
  
!   typedef scitbx::mat3<FloatType>                       mat3;
  
!   typedef fractional<FloatType>                         frac_type;
!   typedef cartesian<FloatType>                          cart_type;
!   typedef grid_point<IntType>                           grid_type;
!   typedef transform<frac_type,grid_type>                f2g_type;
!   typedef transform<frac_type,cart_type>                f2c_type;
!   typedef transform<grid_type,frac_type>                g2f_type;
!   typedef transform<cart_type,frac_type>                c2f_type;
!   typedef transform<grid_type,cart_type>                g2c_type;
!   typedef transform<cart_type,grid_type>                c2g_type;
  
    static void wrap () {
***************
*** 81,100 ****
            af_extents const&,
            mat3 const&,
!           out_of_handle const&>())
        .def(init<unit_cell const&,
            af_versa const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&>())
        .def(init<unit_cell const&,
            af_c_grid const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&>())
        .def(init<non_symmetric const&,
            af_versa const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&>())
        .def(init<basic_map_type>())
        .def("as_asu",
--- 82,105 ----
            af_extents const&,
            mat3 const&,
!           out_of_handle const&,
!           tbx_unit_cell const&>())
        .def(init<unit_cell const&,
            af_versa const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&,
!           tbx_unit_cell const&>())
        .def(init<unit_cell const&,
            af_c_grid const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&,
!           tbx_unit_cell const&>())
        .def(init<non_symmetric const&,
            af_versa const&,
            af_extents const&,
            mat3 const&,
!           out_of_handle const&,
!           tbx_unit_cell const&>())
        .def(init<basic_map_type>())
        .def("as_asu",
***************
*** 174,177 ****
--- 179,184 ----
        .def("rebuild_transformers",&basic_map_type::rebuild_transformers,
          (arg_("extents"),arg_("matrix")))
+       .def("extents",&basic_map_type::extents)
+       .def("unit_cell",&basic_map_type::unit_cell)
        ;
  

Index: tst_maptbx.py
===================================================================
RCS file: /cvsroot/cctbx/cctbx/maptbx/boost_python/tst_maptbx.py,v
retrieving revision 1.38
retrieving revision 1.39
diff -C2 -d -r1.38 -r1.39
*** tst_maptbx.py	7 Sep 2005 19:46:48 -0000	1.38
--- tst_maptbx.py	11 Nov 2005 00:28:42 -0000	1.39
***************
*** 280,284 ****
                                 unit_cell_gridding_n,
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_clamp.as_handle())
  
    sites_cart = flex.vec3_double()
--- 280,285 ----
                                 unit_cell_gridding_n,
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_clamp.as_handle(),
!                                unit_cell)
  
    sites_cart = flex.vec3_double()
***************
*** 325,329 ****
                                 emap.focus(),
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle())
    sites = flex.vec3_double()
    sites.append( (21,-3.4E8,2.6) )
--- 326,331 ----
                                 emap.focus(),
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle(),
!                                unit_cell)
    sites = flex.vec3_double()
    sites.append( (21,-3.4E8,2.6) )
***************
*** 438,442 ****
                                 unit_cell_gridding_n,
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle())
  
    for site_cart,expected_result in ([(0.468661,-1.549268,3.352108),-0.333095],
--- 440,445 ----
                                 unit_cell_gridding_n,
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle(),
!                                unit_cell)
  
    for site_cart,expected_result in ([(0.468661,-1.549268,3.352108),-0.333095],
***************
*** 470,474 ****
                                 emap.focus(),
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle())
  
    assert basic_map.get_grid_value((0,0,0))==10
--- 473,478 ----
                                 emap.focus(),
                                 unit_cell.orthogonalization_matrix(),
!                                out_of_bounds_raise.as_handle(),
!                                unit_cell)
  
    assert basic_map.get_grid_value((0,0,0))==10