ó
�™xTc           @   s�   d  d l  m Z d  d l m Z d  d l m Z d  d l m Z d Z d „  Z	 d „  Z
 d „  Z d	 „  Z e d
 k rŒ e ƒ  e ƒ  d GHn  d S(   iÿÿÿÿ(   t   division(   t   any_reflection_file(   t   export_scalepack_unmerged(   t   null_outt   tst_export_scalepack_unmergedc           C   s   d  S(   N(    (    (    (    s\   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_export_scalepack_unmerged.pyt   exercise_xds	   s    c           C   s   d  S(   N(    (    (    (    s\   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_export_scalepack_unmerged.pyt   exercise_mtz
   s    c          C   sð   d }  t  d } t | d ƒ j |  ƒ t j d | g d t ƒ  ƒ d } | d k sZ t ‚ t | ƒ j ƒ  } | j	 d t
 ƒ d } | j ƒ  s• t ‚ t | j ƒ d	 d
 d d d d d d d d d d d d d d d d d d g k sì t ‚ d  S(   NsÚ      4 i41
  1  0  0  0  1  0  0  0  1
  0  0  0
 -1  0  0  0 -1  0  0  0  1
  0  0  0
  0 -1  0  1  0  0  0  0  1
  0  6  3
  0  1  0 -1  0  0  0  0  1
  0  6  3
   0   0   4   0   0   4   188 1 1  1 80331.8  8648.0
   0   0  -4   0   0   4     8 2 1  1104526.7 11623.3
   0   0   8   0   0   8    19 1 0  1 44883.6  4527.6
   0   0   8   0   0   8   184 1 1  1 41134.1  4431.9
   0   0  -8   0   0   8     4 2 1  1 53386.0  5564.1
   0   0  -8   0   0   8   198 2 0  1 50401.8  5464.6
   0   0  12   0   0  12    22 1 0  1119801.4 12231.2
   0   0  12   0   0  12   180 1 1  1105312.9 12602.2
   0   0  16   0   0  16    26 1 0  1 14877.6  2161.5
   1   0   3   1   0   3    10 1 0  1 19407.0  2301.4
   1   0   3   1   0   3   184 1 1  1 19337.0  2204.0
  -1   0   3   1   0   3    19 1 0  2 19513.6  2220.3
  -1   0   3   1   0   3   193 1 1  2 20702.3  2227.8
   0  -1   3   1   0   3    11 1 0  3 20041.6  2360.2
   0  -1   3   1   0   3   185 1 1  3 20043.9  2296.8
   0   1   3   1   0   3    18 1 0  4 19677.4  2125.2
  -1   0  -3   1   0   3     4 2 1  1 17056.4  1829.7
  -1   0  -3   1   0   3   189 2 0  1 16545.2  2065.9
   1   0  -3   1   0   3    13 2 1  2 17169.5  1768.9
   1   0  -3   1   0   3   198 2 0  2 16195.8  1927.5
s   _in.scat   wt   argst   outi    s-   tst_export_scalepack_unmerged_in_unmerged.scat   merge_equivalentsi¼   i   i   i¸   i   iÆ   i   i´   i   i
   iÁ   i   i¹   i   i½   i   (   t   prefixt   opent   writeR   t   runR   t   AssertionErrorR   t   file_contentt   as_miller_arrayst   Falset   is_unique_set_under_symmetryt   listt   batch_numbers(   t   sca_int   sca_filet   ofnt   hkl_int   i_obs(    (    s\   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_export_scalepack_unmerged.pyt   exercise_scalepack   s    
"'c          C   sâ   d }  t  d } t | d ƒ j |  ƒ t | ƒ j ƒ  } | j d t ƒ d } t j d | g d t	 ƒ  ƒ d } | d k s‚ t
 ‚ t | ƒ j ƒ  } | j d t ƒ d } | j ƒ  s½ t
 ‚ | j ƒ  j | j ƒ  ƒ sÞ t
 ‚ d  S(	   Ns  data_r2etdsf
#
_cell.entry_id      2etd
_cell.length_a      80.4540
_cell.length_b      85.2590
_cell.length_c      53.3970
_cell.angle_alpha   90.0000
_cell.angle_beta    90.0000
_cell.angle_gamma   90.0000
#
_symmetry.entry_id               2etd
_symmetry.space_group_name_H-M   'C 2 2 2'
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.intensity_meas
_refln.intensity_sigma
1 1 1    0    2   -8  o    1544.6    130.4
1 1 1    0    2    9  o    3450.1    264.9
1 1 1    0   -2    9  o    3243.5    268.5
1 1 1    0   -2   -9  o    3475.4    265.0
1 1 1    0    2   -9  o    3420.1    260.3
1 1 1    0    2   10  o      58.8     31.8
1 1 1    0   -2  -10  o     131.7     50.7
1 1 1    0    2  -10  o      97.9     48.7
1 1 1    0   -2   11  o    9808.3    953.5
1 1 1    0   -2  -11  o   11486.1    970.3
1 1 1    0    2  -11  o   11278.1    967.8
1 1 1    0    2   12  o    1368.9    150.7
1 1 1    0   -2   12  o    1620.9    148.7
1 1 1    0   -2  -12  o    1293.5    147.6
1 1 1    0    2  -12  o    1619.5    155.7
1 1 1    0   -2   13  o   47438.3   4104.1
1 1 1    0    2   14  o    8577.5   1188.0
1 1 1    0   -2   14  o    7996.7   1179.9
1 1 1    0   -2  -14  o    9333.7   1178.1
1 1 1    0    2  -14  o    9642.3   1197.6
1 1 1    0    2   15  o   13577.7   1852.4
1 1 1    0   -2   15  o   14100.9   1852.8
1 1 1    0   -2  -15  o   14184.2   1871.6
1 1 1    0    2   16  o     135.6     76.3
1 1 1    0   -2   16  o     117.0     60.4
s   _in.cifR   R
   i    R   R	   s0   tst_export_scalepack_unmerged_in_w1_unmerged.sca(   R   R   R   R   R   R   R   R   R   R   R   R   t   indicest   all_eq(   t   cif_int   cif_filet   hkl_origt
   i_obs_origR   t   hkl_newt	   i_obs_new(    (    s\   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_export_scalepack_unmerged.pyt   exercise_cif6   s    3
"t   __main__t   OKN(   t
   __future__R    t   iotbx.reflection_file_readerR   t   iotbx.command_lineR   t   libtbx.utilsR   R   R   R   R   R$   t   __name__(    (    (    s\   /public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/iotbx/regression/tst_export_scalepack_unmerged.pyt   <module>   s   			*	?