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| author | Thomas White <taw@physics.org> | 2018-06-25 16:28:32 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-06-25 16:28:32 +0200 |
| commit | a604828f8a21399574a39d9b3ce38b116fd98ee6 (patch) | |
| tree | b867e2da11cfa1121ebba4bcf79cff17145e9981 /tests/process_hkl_check_1 | |
| parent | ec5cf28c70480540d7dd4dd36ea27643e5fa53ed (diff) | |
Rename first/second/third/fourth_merge_check to process_hkl_check_1/2/3/4
Diffstat (limited to 'tests/process_hkl_check_1')
| -rwxr-xr-x | tests/process_hkl_check_1 | 57 |
1 files changed, 57 insertions, 0 deletions
diff --git a/tests/process_hkl_check_1 b/tests/process_hkl_check_1 new file mode 100755 index 00000000..2d65c0a9 --- /dev/null +++ b/tests/process_hkl_check_1 @@ -0,0 +1,57 @@ +#!/bin/sh + +PROCESS_HKL=$1 + +cat > process_hkl_check_1.stream << EOF +CrystFEL stream format 2.1 +Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn +----- Begin chunk ----- +Image filename: dummy.h5 +photon_energy_eV = 2000.0 +--- Begin crystal +Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg +astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 +bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 +cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 +Reflections measured after indexing + h k l I phase sigma(I) counts fs/px ss/px + 1 0 0 100.00 - 0.00 1 938.0 629.0 +End of reflections +--- End crystal +----- End chunk ----- + +----- Begin chunk ----- +Image filename: dummy.h5 +photon_energy_eV = 2000.0 +--- Begin crystal +Cell parameters 27.74398 27.84377 16.90346 nm, 88.53688 91.11774 118.75944 deg +astar = -0.0283891 +0.0149254 -0.0257273 nm^-1 +bstar = -0.0068281 +0.0403989 -0.0005196 nm^-1 +cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 +Reflections measured after indexing + h k l I phase sigma(I) counts fs/px ss/px + 1 0 0 200.00 - 0.00 1 938.0 629.0 +End of reflections +--- End crystal +----- End chunk ----- +EOF + +cat > process_hkl_check_1_ans.hkl << EOF +CrystFEL reflection list version 2.0 +Symmetry: 1 + h k l I phase sigma(I) nmeas + 1 0 0 150.00 - 35.36 2 +EOF + +$PROCESS_HKL -i process_hkl_check_1.stream -o process_hkl_check_1.hkl --no-polarisation +if [ $? -ne 0 ]; then + exit 1; +fi +sed -n '/End of reflections/q;p' process_hkl_check_1.hkl > tempF.hkl +mv tempF.hkl process_hkl_check_1.hkl +diff process_hkl_check_1.hkl process_hkl_check_1_ans.hkl +if [ $? -ne 0 ]; then + exit 1 +fi +rm -f process_hkl_check_1.stream process_hkl_check_1.hkl process_hkl_check_1_ans.hkl +exit 0 |