Changeset 424d1ce for molecuilder/tests

Timestamp:

Oct 5, 2009, 6:45:06 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

4bc937

Parents:

ef36b84 (diff), 9c32a1 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'ConvexHull' into ActOnAll

Conflicts:

molecuilder/src/Makefile.am

Boost implementation commit was overlapping with ActOnAllTest

File:

• molecuilder/tests/testsuite.at (modified) (2 diffs)

molecuilder/tests/testsuite.at

@@ -33 +33 @@
 AT_DATA([test.conf], [])
 AT_CHECK([../../molecuilder test.conf -e ./ -p test.xyz], 0, [ignore], [ignore])
-AT_CHECK([fgrep "Ion_Type1_1" test.conf], 0, [Ion_Type1_1       10.000000000    10.000000000    10.000000000    0 # Number in molecule 0
+AT_CHECK([fgrep "Ion_Type1_1" test.conf], 0, [Ion_Type1_1       10.000000000    10.000000000    10.000000000    0 # molecule nr 0
 ], [ignore])
-AT_CHECK([cp test.conf main_pcp_linux], 0, [ignore], [ignore])
-AT_DATA([input], [aa 10. 10. 10. 1
+AT_CHECK([mv test.conf main_pcp_linux], 0, [ignore], [ignore])
+AT_DATA([input], [maa 10. 10. 10. 1
 s
 q
 ])
-AT_CHECK([../../molecuilder -e ./ <input], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder test.conf -e ./ <input], 0, [ignore], [ignore])
 AT_CHECK([diff main_pcp_linux test.conf], 0, [ignore], [ignore])
 # 4. test some more configuration
-AT_CHECK([../../molecuilder test.conf -e ./ -t -s -b -F -E -c -b -a -U -T -u], 0, [ignore], [stderr])
-AT_CHECK([fgrep -c "Not enough or invalid" stderr], 0, [10
+AT_CHECK([../../molecuilder test.conf -e ./ -t -s -b -E -c -b -a -U -T -u], 0, [ignore], [stderr])
+AT_CHECK([fgrep -c "Not enough or invalid" stderr], 0, [9
 ], [ignore])
 AT_CLEANUP
@@ -75 +75 @@
 # 4. create the config and check it
 AT_CHECK([../../molecuilder test.conf -e ./ -p test.xyz], 0, [ignore], [ignore])
-AT_CHECK([fgrep "Ion_Type1_4" test.conf], 0, [Ion_Type1_4       8.532785963     4.787886018     2.645886050     0 # Number in molecule 6
+AT_CHECK([fgrep "Ion_Type1_4" test.conf], 0, [Ion_Type1_4       8.532785963     4.787886018     2.645886050     0 # molecule nr 6
 ], [ignore])
 AT_CHECK([fgrep "Ion_Type2_4" test.conf], 1, [ignore], [ignore])