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authorThomas White <taw@physics.org>2012-03-14 10:46:15 +0100
committerThomas White <taw@physics.org>2012-03-14 10:46:15 +0100
commit091a249e1ce4cdd0cc7a5e784ba7f4c0215c7f63 (patch)
tree45a1dee13533231507fea52903a742f8be16b1b9
parent02004f35debd3d3f6af4c699b1d269bb5ccd3271 (diff)
Update merge checks for new polarisation correction
-rw-r--r--Makefile.am4
-rwxr-xr-xtests/first_merge_check12
-rw-r--r--tests/first_merge_check.hkl3
-rwxr-xr-xtests/fourth_merge_check10
-rw-r--r--tests/fourth_merge_check.hkl3
-rwxr-xr-xtests/second_merge_check12
-rwxr-xr-xtests/third_merge_check13
-rw-r--r--tests/third_merge_check.hkl3
8 files changed, 32 insertions, 28 deletions
diff --git a/Makefile.am b/Makefile.am
index c99b1a23..6460d8fb 100644
--- a/Makefile.am
+++ b/Makefile.am
@@ -15,9 +15,7 @@ TESTS = tests/list_check tests/first_merge_check tests/second_merge_check \
tests/symmetry_check
EXTRA_DIST += tests/first_merge_check tests/second_merge_check \
- tests/third_merge_check tests/fourth_merge_check \
- tests/first_merge_check.hkl tests/third_merge_check.hkl \
- tests/fourth_merge_check.hkl
+ tests/third_merge_check tests/fourth_merge_check
if BUILD_HDFSEE
bin_PROGRAMS += src/hdfsee
diff --git a/tests/first_merge_check b/tests/first_merge_check
index e96d5198..686222cb 100755
--- a/tests/first_merge_check
+++ b/tests/first_merge_check
@@ -5,7 +5,6 @@ CrystFEL stream format 2.0
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -20,7 +19,6 @@ End of reflections
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -34,10 +32,16 @@ End of reflections
----- End chunk -----
EOF
+cat > first_merge_check_ans.hkl << EOF
+ h k l I phase sigma(I) counts fs/px ss/px
+ 1 0 0 150.03 - 35.36 2 0.0 0.0
+End of reflections
+EOF
+
src/process_hkl -i first_merge_check.stream -o first_merge_check.hkl
-diff first_merge_check.hkl tests/first_merge_check.hkl
+diff first_merge_check.hkl first_merge_check_ans.hkl
if [ $? -ne 0 ]; then
exit 1
fi
-rm -f first_merge_check.stream first_merge_check.hkl
+rm -f first_merge_check.stream first_merge_check.hkl first_merge_check_ans.hkl
exit 0
diff --git a/tests/first_merge_check.hkl b/tests/first_merge_check.hkl
deleted file mode 100644
index eeb0f455..00000000
--- a/tests/first_merge_check.hkl
+++ /dev/null
@@ -1,3 +0,0 @@
- h k l I phase sigma(I) counts fs/px ss/px
- 1 0 0 150.00 - 35.36 2 0.0 0.0
-End of reflections
diff --git a/tests/fourth_merge_check b/tests/fourth_merge_check
index 08d2d291..619afc02 100755
--- a/tests/fourth_merge_check
+++ b/tests/fourth_merge_check
@@ -5,7 +5,6 @@ CrystFEL stream format 2.0
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -19,10 +18,15 @@ End of reflections
----- End chunk -----
EOF
+cat > fourth_merge_check_ans.hkl << EOF
+ h k l I phase sigma(I) counts fs/px ss/px
+End of reflections
+EOF
+
src/process_hkl -i fourth_merge_check.stream -o fourth_merge_check.hkl
-diff fourth_merge_check.hkl tests/fourth_merge_check.hkl
+diff fourth_merge_check.hkl fourth_merge_check_ans.hkl
if [ $? -ne 0 ]; then
exit 1
fi
-rm -f fourth_merge_check.stream fourth_merge_check.hkl
+rm -f fourth_merge_check.stream fourth_merge_check.hkl fourth_merge_check_ans.hkl
exit 0
diff --git a/tests/fourth_merge_check.hkl b/tests/fourth_merge_check.hkl
deleted file mode 100644
index 9c318920..00000000
--- a/tests/fourth_merge_check.hkl
+++ /dev/null
@@ -1,3 +0,0 @@
- h k l I phase sigma(I) counts fs/px ss/px
- 1 0 0 100.00 - 0.00 1 0.0 0.0
-End of reflections
diff --git a/tests/second_merge_check b/tests/second_merge_check
index bda315e3..af952030 100755
--- a/tests/second_merge_check
+++ b/tests/second_merge_check
@@ -5,7 +5,6 @@ CrystFEL stream format 2.0
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -20,7 +19,6 @@ End of reflections
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -34,10 +32,16 @@ End of reflections
----- End chunk -----
EOF
+cat > second_merge_check_ans.hkl << EOF
+ h k l I phase sigma(I) counts fs/px ss/px
+ 1 0 0 150.03 - 35.36 2 0.0 0.0
+End of reflections
+EOF
+
src/process_hkl -y -1 -i second_merge_check.stream -o second_merge_check.hkl
-diff second_merge_check.hkl tests/first_merge_check.hkl
+diff second_merge_check.hkl second_merge_check_ans.hkl
if [ $? -ne 0 ]; then
exit 1
fi
-rm -f second_merge_check.stream second_merge_check.hkl
+rm -f second_merge_check.stream second_merge_check.hkl second_merge_check_ans.hkl
exit 0
diff --git a/tests/third_merge_check b/tests/third_merge_check
index b0c90619..f3cfb637 100755
--- a/tests/third_merge_check
+++ b/tests/third_merge_check
@@ -5,7 +5,6 @@ CrystFEL stream format 2.0
Command line: indexamajig -i dummy.lst -o dummy.stream --kraken=prawn
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -20,7 +19,6 @@ End of reflections
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -35,7 +33,6 @@ End of reflections
----- Begin chunk -----
Image filename: dummy.h5
-No unit cell from indexing.
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
@@ -49,10 +46,16 @@ End of reflections
----- End chunk -----
EOF
+cat > third_merge_check_ans.hkl << EOF
+ h k l I phase sigma(I) counts fs/px ss/px
+ 1 0 0 133.36 - 27.22 3 0.0 0.0
+End of reflections
+EOF
+
src/process_hkl -i third_merge_check.stream -o third_merge_check.hkl
-diff third_merge_check.hkl tests/third_merge_check.hkl
+diff third_merge_check.hkl third_merge_check_ans.hkl
if [ $? -ne 0 ]; then
exit 1
fi
-rm -f third_merge_check.stream third_merge_check.hkl
+rm -f third_merge_check.stream third_merge_check.hkl third_merge_check_ans.hkl
exit 0
diff --git a/tests/third_merge_check.hkl b/tests/third_merge_check.hkl
deleted file mode 100644
index efeaa0f5..00000000
--- a/tests/third_merge_check.hkl
+++ /dev/null
@@ -1,3 +0,0 @@
- h k l I phase sigma(I) counts fs/px ss/px
- 1 0 0 133.33 - 27.22 3 0.0 0.0
-End of reflections