aboutsummaryrefslogtreecommitdiff
path: root/tests
diff options
context:
space:
mode:
authorThomas White <taw@bitwiz.org.uk>2015-08-01 21:42:54 +0200
committerThomas White <taw@bitwiz.org.uk>2015-08-01 21:42:54 +0200
commitb41b8a0b4240bf1c5c37a6937aba1c2190a5a55f (patch)
tree9b31772f95cfe8412fcdc891669b62b9bc24fd02 /tests
parent4ae1cc859bad66f611677ce34e87be44580b0929 (diff)
Update partialator unit tests
Diffstat (limited to 'tests')
-rwxr-xr-xtests/partialator_merge_check_12
-rwxr-xr-xtests/partialator_merge_check_28
-rwxr-xr-xtests/partialator_merge_check_316
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