iotbx::mtz Namespace Reference

C++ wrapper for CCP4 CMtz library. More...


Classes

class  batch
 Safe access to CMtz::MTZBAT* owned by an iotbx::mtz::object . More...
class  column
 Safe access to CMtz::MTZCOL* owned by an iotbx::mtz::dataset . More...
class  hkl_columns
 Result type for object::get_hkl_columns() . More...
class  crystal
 Safe access to CMtz::MTZXTAL* owned by an iotbx::mtz::object . More...
class  dataset
 Safe access to CMtz::MTZSET* owned by an iotbx::mtz::crystal . More...
struct  data_group
 Result type for family of object::extract_* functions. More...
struct  observations_group
 Result type for family of object::extract_* functions. More...
struct  complex_group
 Result type for family of object::extract_* functions. More...
class  object
 Wrapper for CMtz::MTZ* . More...

Typedefs

typedef data_group< int > integer_group
 Result type for family of object::extract_* functions.
typedef data_group< double > real_group
 Result type for family of object::extract_* functions.
typedef data_group
< cctbx::hendrickson_lattman<> > 
hl_group
 Result type for family of object::extract_* functions.

Functions

bool string_is_null_terminated (const char *str, std::size_t str_size)
 Helper function to facilitate friendly assertions.
af::shared< std::size_t > cmtz_struct_sizes ()
 Returns a list of sizes of the C structs defined in mtzdata.h.
int ccp4_liberr_verbosity (int level)
 Thin wrapper, mainly to facilitate Python bindings.
bool is_ccp4_nan (float const &datum)
 Wrapper for CCP4::ccp4_utils_isnan() .
ccp4array_base * ccp4array_base_ptr (CMtz::MTZCOL *ptr)
 Complex sequence of type casts.
int column_array_size (CMtz::MTZCOL *ptr)
 Access to ccp4array_base->size .
int column_array_capacity (CMtz::MTZCOL *ptr)
 Access to ccp4array_base->capacity .


Detailed Description

C++ wrapper for CCP4 CMtz library.

Please start with the documentation for iotbx::mtz::object .

A simple Python example:

      from iotbx import mtz
      import sys
      mtz_object = mtz.object(file_name=sys.argv[1])
      print mtz_object.title()
      for crystal in mtz_object.crystals():
        for dataset in crystal.datasets():
          for column in dataset.columns():
            print column.label()

Function Documentation

af::shared<std::size_t> iotbx::mtz::cmtz_struct_sizes (  ) 

Returns a list of sizes of the C structs defined in mtzdata.h.

Used for consistency checking in the Python layer. See also: expected_cmtz_struct_sizes in $IOTBX_DIST/iotbx/mtz/__init__.py


Generated on Thu Jun 19 15:35:08 2014 for cctbx by  doxygen 1.5.6