diff options
Diffstat (limited to 'tests')
| -rwxr-xr-x | tests/partialator_merge_check_1 | 2 | ||||
| -rwxr-xr-x | tests/partialator_merge_check_2 | 8 | ||||
| -rwxr-xr-x | tests/partialator_merge_check_3 | 16 |
3 files changed, 17 insertions, 9 deletions
diff --git a/tests/partialator_merge_check_1 b/tests/partialator_merge_check_1 index 6efa0337..6c9c07c6 100755 --- a/tests/partialator_merge_check_1 +++ b/tests/partialator_merge_check_1 @@ -37,7 +37,7 @@ EOF # be an average. cat > partialator_merge_check_1_ans.hkl << EOF CrystFEL reflection list version 2.0 -Symmetry: unknown +Symmetry: 1 h k l I phase sigma(I) nmeas 1 0 0 150.00 - 35.36 2 End of reflections diff --git a/tests/partialator_merge_check_2 b/tests/partialator_merge_check_2 index 5b34ed73..7a16c5dd 100755 --- a/tests/partialator_merge_check_2 +++ b/tests/partialator_merge_check_2 @@ -17,6 +17,7 @@ profile_radius = 0.005 nm^-1 Reflections measured after indexing h k l I phase sigma(I) counts fs/px ss/px 1 0 0 100.00 - 1.00 1 938.0 629.0 + 19 0 0 50.00 - 1.00 1 938.0 629.0 End of reflections --- End crystal --- Begin crystal @@ -28,6 +29,7 @@ profile_radius = 0.005 nm^-1 Reflections measured after indexing h k l I phase sigma(I) counts fs/px ss/px 1 0 0 200.00 - 1.00 1 938.0 629.0 + 19 0 0 100.00 - 1.00 1 938.0 629.0 End of reflections --- End crystal ----- End chunk ----- @@ -38,15 +40,17 @@ EOF # factor can absorb the difference. cat > partialator_merge_check_2_ans.hkl << EOF CrystFEL reflection list version 2.0 -Symmetry: unknown +Symmetry: 1 h k l I phase sigma(I) nmeas 1 0 0 150.00 - 0.00 2 + 19 0 0 75.00 - 0.00 2 End of reflections EOF src/partialator -i partialator_merge_check_2.stream \ -o partialator_merge_check_2.hkl \ - --model=unity --iterations=0 --no-polarisation + --model=unity --iterations=1 --no-polarisation \ + --no-free diff partialator_merge_check_2.hkl partialator_merge_check_2_ans.hkl if [ $? -ne 0 ]; then diff --git a/tests/partialator_merge_check_3 b/tests/partialator_merge_check_3 index 5ed8ebaf..44cbdd8a 100755 --- a/tests/partialator_merge_check_3 +++ b/tests/partialator_merge_check_3 @@ -16,8 +16,9 @@ cstar = +0.0406926 +0.0052233 -0.0426520 nm^-1 profile_radius = 0.005 nm^-1 Reflections measured after indexing h k l I phase sigma(I) counts fs/px ss/px - 0 1 0 110.00 - 1.00 1 938.0 629.0 - 2 0 0 190.00 - 1.00 1 938.0 629.0 + 0 1 0 100.00 - 1.00 1 938.0 629.0 + 2 0 0 200.00 - 1.00 1 938.0 629.0 + 20 0 0 100.00 - 1.00 1 938.0 629.0 End of reflections --- End crystal --- Begin crystal @@ -31,6 +32,7 @@ Reflections measured after indexing 1 0 0 50.00 - 1.00 1 938.0 629.0 0 2 0 100.00 - 1.00 1 938.0 629.0 0 1 1 1.00 - 1.00 1 938.0 629.0 + 20 0 0 50.00 - 1.00 1 938.0 629.0 End of reflections --- End crystal ----- End chunk ----- @@ -39,16 +41,18 @@ EOF # W cat > partialator_merge_check_3_ans.hkl << EOF CrystFEL reflection list version 2.0 -Symmetry: unknown +Symmetry: 4 h k l I phase sigma(I) nmeas - 1 0 0 78.55 - 3.15 2 - 2 0 0 145.78 - 1.70 2 + 1 0 0 75.00 - 0.00 2 + 2 0 0 150.00 - 0.00 2 + 20 0 0 75.00 - 0.00 2 End of reflections EOF src/partialator -i partialator_merge_check_3.stream \ -o partialator_merge_check_3.hkl \ - --model=unity --iterations=0 -y 4 --no-polarisation + --model=unity --iterations=1 -y 4 --no-polarisation \ + --no-free diff partialator_merge_check_3.hkl partialator_merge_check_3_ans.hkl if [ $? -ne 0 ]; then |