diff options
Diffstat (limited to 'tests/process_hkl_check_3')
| -rwxr-xr-x | tests/process_hkl_check_3 | 72 |
1 files changed, 72 insertions, 0 deletions
diff --git a/tests/process_hkl_check_3 b/tests/process_hkl_check_3 new file mode 100755 index 00000000..cef7996c --- /dev/null +++ b/tests/process_hkl_check_3 @@ -0,0 +1,72 @@ +#!/bin/sh + +PROCESS_HKL=$1 + +cat > process_hkl_check_3.stream << EOF +CrystFEL stream format 2.1 +Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn +----- Begin chunk ----- +Image filename: dummy.h5 +photon_energy_eV = 2000.0 +--- Begin crystal +Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg +astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 +bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 +cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 +Reflections measured after indexing + h k l I phase sigma(I) counts fs/px ss/px + 1 0 0 100.00 - 0.00 1 938.0 629.0 +End of reflections +--- End crystal +----- End chunk ----- + +----- Begin chunk ----- +Image filename: dummy.h5 +photon_energy_eV = 2000.0 +--- Begin crystal +Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg +astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 +bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 +cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 +Reflections measured after indexing + h k l I phase sigma(I) counts fs/px ss/px + 1 0 0 200.00 - 0.00 1 938.0 629.0 +End of reflections +--- End crystal +----- End chunk ----- + +----- Begin chunk ----- +Image filename: dummy.h5 +photon_energy_eV = 2000.0 +--- Begin crystal +Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg +astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 +bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 +cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 +Reflections measured after indexing + h k l I phase sigma(I) counts fs/px ss/px + 1 0 0 100.00 - 0.00 1 938.0 629.0 +End of reflections +--- End crystal +----- End chunk ----- +EOF + +cat > process_hkl_check_3_ans.hkl << EOF +CrystFEL reflection list version 2.0 +Symmetry: 1 + h k l I phase sigma(I) nmeas + 1 0 0 133.33 - 27.22 3 +EOF + +$PROCESS_HKL -i process_hkl_check_3.stream -o process_hkl_check_3.hkl --no-polarisation +if [ $? -ne 0 ]; then + exit 1; +fi +sed -n '/End of reflections/q;p' process_hkl_check_3.hkl > tempT.hkl +mv tempT.hkl process_hkl_check_3.hkl +diff process_hkl_check_3.hkl process_hkl_check_3_ans.hkl +if [ $? -ne 0 ]; then + exit 1 +fi +rm -f process_hkl_check_3.stream process_hkl_check_3.hkl process_hkl_check_3_ans.hkl +exit 0 |