Tue May 27 12:26:00 2003
Windows 2000
Visual C++ 7.0:
  Microsoft (R) 32-bit C/C++ Standard Compiler Version 13.00.9466 for 80x86
2.2.2 (#37, Oct 14 2002, 17:02:34) [MSC 32 bit (Intel)]


C:\auto_build\cctbx\cctbx_build>call python c:\auto_build\cctbx\cctbx_sources\scitbx\run_tests.py 
C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_1
Total OK: 435

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_2
Total OK: 268

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_3
Total OK: 164

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_4
Total OK: 1300

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_5
Total OK: 4

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_vec3
Total OK: 56

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_mat3
Total OK: 81

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_sym_mat3
Total OK: 65

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_mat_ref
Total OK: 60

C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_accessors
Total OK: 1119

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\array_family\boost_python\regression_test.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\array_family\boost_python\tst_flex.py
Testing compatibility with Numeric slicing... OK
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\boost_python\tst_rational.py
OK

C:\auto_build\cctbx\cctbx_build\scitbx\serialization\tst_base_256
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\math\boost_python\tst_eigensystem.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\lbfgs\boost_python\tst_lbfgs.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\scitbx\fftpack\boost_python\tst_fftpack.py
u+s,u,s: 10.27 0.06 10.20

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\array_family\boost_python\tst_flex.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\uctbx\boost_python\tst_uctbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\sgtbx\boost_python\tst_sgtbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\adptbx\boost_python\tst_adptbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\miller\boost_python\tst_miller.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_caasf.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_henke.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_icsd_radii.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_neutron.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_sasaki.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_tiny_pse.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_wavelengths.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\xray\boost_python\tst_xray.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\maptbx\boost_python\tst_maptbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\mintbx\boost_python\tst_mintbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\dmtbx\boost_python\tst_dmtbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\translation_search\boost_python\tst_translation_search.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\matrix.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx_harker.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_crystal.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_miller.py P31
P 31
u+s,u,s: 2.31 0.09 2.22
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_reciprocal_space_asu.py P312
P 3 1 2
u+s,u,s: 0.77 0.08 0.69

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_emma.py P31
P 31
u+s,u,s: 6.08 0.17 5.91

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_find_centre_of_inversion.py P31
P 31
u+s,u,s: 0.67 0.13 0.55

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_expand_to_p1.py P31
P 31
u+s,u,s: 0.34 0.14 0.20

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_change_basis.py P31
P 31
u+s,u,s: 0.31 0.16 0.16

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_wilson_plot.py P31
P 31
u+s,u,s: 1.67 0.09 1.58

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray_derivatives.py P31
P 31
u+s,u,s: 1.36 0.17 1.19

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray_minimization.py P31
P 31
u+s,u,s: 1.75 0.09 1.66

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_maptbx_structure_factors.py P31
P 31
u+s,u,s: 0.92 0.09 0.83

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_k_b_scaling.py P31
P 31
u+s,u,s: 3.23 0.16 3.08

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_miller_fft_map.py P31
P 31
u+s,u,s: 0.56 0.13 0.44

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sampled_model_density.py P31
P 31
u+s,u,s: 6.22 0.17 6.05

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_fast_nv1995.py F222
F 2 2 2
u+s,u,s: 7.97 0.16 7.81

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\tst_cns_epsilon.py P31
CNS not available.

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\tst_cns_hl.py P31
CNS not available.

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\run_shelx.py P31
SHELX not available.

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\phenix\phenix\regression\tst_heavy_search.py C2
C 1 2 1
u+s,u,s: 10.44 0.17 10.27

C:\auto_build\cctbx\cctbx_build\cctbx\examples\getting_started
unit cell: (11,12,13,90,100,90)
space group: C 1 2 1
symmetry operations: 
  x,y,z
  -x,y,-z
  x+1/2,y+1/2,z
  -x+1/2,y+1/2,-z

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\getting_started.py
Unit cell: (11, 12, 13, 90, 100, 90)
Space group: C 1 2 1 (No. 5)
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\analyze_adp.py
Input Ucif: (0.17000000000000001, 0.17000000000000001, 0.19, 0.089999999999999997, 0, 0)
Warning: ADP tensor is incompatible with site symmetry.
Averaged Ucif: (0.16666666666666666, 0.16666666666666666, 0.19000000000000003, 0.083333333333333329, 0.0, 0.0)
Eigenvectors and values:
  v=(0.00000 0.00000 1.00000)  lambda=0.1900
  v=(0.00000 1.00000 -0.00000)  lambda=0.1667
  v=(1.00000 -0.00000 -0.00000)  lambda=0.1667

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\all_axes.py P31
Space group: P 31 (No. 144)

Rotation type, Axis direction, Intrinsic part, Origin shift
('1', '-', '-', '-')
('3', '[0,0,1]', '(0,0,1/3)', '(0,0,0)')
('3', '[0,0,1]', '(0,0,1/3)', '(1/3,2/3,0)')
('3', '[0,0,1]', '(0,0,1/3)', '(2/3,1/3,0)')
('3', '[0,0,1]', '(0,0,2/3)', '(0,0,0)')
('3', '[0,0,1]', '(0,0,2/3)', '(1/3,2/3,0)')
('3', '[0,0,1]', '(0,0,2/3)', '(2/3,1/3,0)')


C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\tst_phase_o_phrenia.py P2
P 1 2 1
Number of scatterers: 1
At special positions: 0
Unit cell: (7.82191, 10.1685, 13.2972, 90, 109, 90)
Space group: P 1 2 1 (No. 3)
Label  M  Coordinates            Occ  Uiso or Ucart
Hg1    2  0.0169  0.8953  0.1115 1.00 0.0000
1  0.00000  0.80000  0.00000
0.0553856  0.50000  0.80000  0.00000
0.05494  0.25000  0.60000  0.15000
0.039464  0.00000  0.26667  0.00000
0.0386395  0.41667  0.00000  0.30000
0.0312166  0.50000  0.66667  0.50000
0.0304156  0.25000  0.40000  0.90000
0.0266933  0.00000  0.66667  0.50000
0.025062  0.50000  0.26667  0.50000
0.0210395  0.00000  0.26667  0.30000
0.0197527  0.16667  0.00000  0.70000
0.0129092  0.25000  0.46667  0.65000
u+s,u,s: 0.39 0.11 0.28

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\pdb\tst_pdb.py
REMARK Title
REMARK Any
REMARK Thing
REMARK Number of scatterers: 8
REMARK At special positions: 0
REMARK Cartesian coordinates
CRYST1   20.125   20.125   34.212  90.00  90.00 120.00 P 31
ATOM      1 N1   N1      1       5.630   0.832   0.432  1.00 25.60
ATOM      2 C2   C2      2      -2.544   8.558   9.722  1.00 41.37
ATOM      3 C3   C3      3      12.987   1.047  27.889  1.00 27.55
ATOM      4 O4   O4      4       0.501   9.313   8.613  1.00 13.07
ATOM      5 N5   N5      5      11.642  14.295  20.925  1.00  5.84
ATOM      6 C6   C6      6       9.477   7.610  10.355  1.00 48.30
ATOM      7 C7   C7      7      18.872   2.071  19.696  1.00  7.30
ATOM      8 O8   O8      8      -6.690  11.985   3.228  1.00 21.06
END
REMARK Title
REMARK Any
REMARK Thing
REMARK Number of scatterers: 8
REMARK At special positions: 0
REMARK Fractional coordinates
CRYST1   20.125   20.125   34.212  90.00  90.00 120.00 P 31
ATOM      1 N1   N1      1       0.304   0.048   0.013  1.00 25.60
ATOM      2 C2   C2      2       0.119   0.491   0.284  1.00 41.37
ATOM      3 C3   C3      3       0.675   0.060   0.815  1.00 27.55
ATOM      4 O4   O4      4       0.292   0.534   0.252  1.00 13.07
ATOM      5 N5   N5      5       0.989   0.820   0.612  1.00  5.84
ATOM      6 C6   C6      6       0.689   0.437   0.303  1.00 48.30
ATOM      7 C7   C7      7       0.997   0.119   0.576  1.00  7.30
ATOM      8 O8   O8      8       0.011   0.688   0.094  1.00 21.06
END
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\cns\space_group_symbols.py
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\cns\tst_cns.py
{+ file: foo.sdb +}
{+ description: random_structure +}
{+ comment:
any
thing
+}

{- begin block parameter definition -} define(

{============================ space group ============================}

{* space group *}
{* use International Table conventions with subscripts substituted
   by parenthesis *}
{===>} sg="P3(1)";

{==================== derivative/MAD coordinates =====================}

{+ list: for each site define:
         - whether the site is to be refined, fixed or ignored
         - derivative name (must be the same for all sites in a derivative)
         - chemical type (note: wavelength-dependent form factors
                                are specified in mad_refine.inp)
         - coordinates (x, y, z)
         - B-value (b)
         - occupancy (q)
         - group name (g) +}

{+ list: the optional group name (g) is a string of upto 4 characters.
         If a group is left blank, each site is refined individually.
         If a group is specified, all sites with the same group name
         and the same derivative name are treated as a rigid body, and their
         occupancies, B-values, and form factors are refined as a group. +}

{+ table: rows=8 numbered
          cols=9 "action" "derivative name" "chemical type"
                 "x coordinate" "y coordinate" "z coordinate"
                 "B-value" "occupancy" "group" +}

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_1="fix";
{===>} site.segid_1="SITE"; site.type_1="N";
{===>} site.x_1=10.0861; site.y_1=3.33468; site.z_1=19.319;
{===>} site.b_1=27.7687; site.q_1=1; site.g_1="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_2="fix";
{===>} site.segid_2="SITE"; site.type_2="C";
{===>} site.x_2=0.559159; site.y_2=17.1443; site.z_2=18.0359;
{===>} site.b_2=71.6918; site.q_2=1; site.g_2="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_3="fix";
{===>} site.segid_3="SITE"; site.type_3="C";
{===>} site.x_3=2.30741; site.y_3=4.08814; site.z_3=22.4092;
{===>} site.b_3=18.5591; site.q_3=1; site.g_3="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_4="fix";
{===>} site.segid_4="SITE"; site.type_4="O";
{===>} site.x_4=16.3546; site.y_4=3.18597; site.z_4=4.69008;
{===>} site.b_4=54.0325; site.q_4=1; site.g_4="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_5="fix";
{===>} site.segid_5="SITE"; site.type_5="N";
{===>} site.x_5=0.570076; site.y_5=12.2486; site.z_5=18.2647;
{===>} site.b_5=37.0346; site.q_5=1; site.g_5="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_6="fix";
{===>} site.segid_6="SITE"; site.type_6="C";
{===>} site.x_6=5.99864; site.y_6=10.8124; site.z_6=11.7709;
{===>} site.b_6=43.4002; site.q_6=1; site.g_6="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_7="fix";
{===>} site.segid_7="SITE"; site.type_7="C";
{===>} site.x_7=-0.339741; site.y_7=14.4689; site.z_7=15.9304;
{===>} site.b_7=56.2133; site.q_7=1; site.g_7="best";

{+ choice: "refine" "fix" "ignore" +}
{===>} site.action_8="fix";
{===>} site.segid_8="SITE"; site.type_8="O";
{===>} site.x_8=7.70624; site.y_8=14.943; site.z_8=12.7754;
{===>} site.b_8=5.70104; site.q_8=1; site.g_8="best";

{* to appended new entries or merge this file with other
   site database files use sdb_manipulate.inp *}

{* to delete sites from this file either set the derivative
   name to be blank or use delete_sites.inp *}

{===========================================================================}
{         things below this line do not normally need to be changed         }
{===========================================================================}

) {- end block parameter definition -}
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\mtz\tst_mtz.py
P 1
P -1
P 1 2 1
C 1 2/c 1
P 2 2 2
I m m a
P 4
P 41
I 41/a c d :2
P 3
P 31
P 3 1 m
R -3 c :H
P 6
P 63/m m c
P 2 3
I a -3 d
u+s,u,s: 9.98 0.45 9.53

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\detectors\tst_adsc.py
Completed test read of ADSC image:
image size 2304 x 2304 = 5308416 pixels
pixel size 0.0816
saturated value 65535
starting phi 0.0
OK

C:\python22\python.exe c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\xplor\tst_xplormap.py
Test of Xplor map read:
[' REMARKS FILENAME=""', ' REMARKS Phenix Xarray to CNS map format']
[24, 0, 24, 120, 0, 120, 54, 0, 54]
['32.042', '175.362', '79.663', '90.000', '90.000', '90.000']
ZYX
0.0
1.0
(-0.28454600000000002, -0.60107999999999995, -1.1165400000000001, -1.17415, -0.827963)
(25, 121, 55)
Test of Xplor map write:
OK


Tue May 27 12:27:47 2003