Changeset 5fa7c5
- Timestamp:
- May 17, 2010, 5:32:33 PM (15 years ago)
- Children:
- 1860f6, 7a6fd9
- Parents:
- c1e0da
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/tests/testsuite.at
rc1e0da r5fa7c5 15 15 AT_CHECK([../../molecuilder -h], 0, [stdout], [ignore]) 16 16 AT_CHECK([fgrep "Give this help screen" stdout], 0, [ignore], [ignore]) 17 AT_CHECK([../../molecuilder -e], 255, [ignore], [stderr])17 AT_CHECK([../../molecuilder -e], 134, [ignore], [stderr]) 18 18 AT_CHECK([fgrep "Not enough or invalid arguments" stderr], 0, [ignore], [ignore]) 19 19 AT_CHECK([../../molecuilder test.conf], 0, [stdout], [stderr]) … … 23 23 24 24 AT_BANNER([MoleCuilder - molecular config creation from xyz file and atom adding]) 25 AT_KEYWORDS([Atom handling])26 25 # 1. create some simplest molecular geometry 27 26 AT_SETUP([Simple configuration - xyz file generation]) 27 AT_KEYWORDS([Atom handling]) 28 28 AT_DATA([test.xyz], [[1 29 29 # test configuration, created by molecuilder test suite … … 102 102 103 103 AT_BANNER([MoleCuilder - Graph routines test]) 104 AT_SETUP([Graph - DFS analysis]) 104 105 AT_KEYWORDS([graph]) 105 AT_SETUP([Graph - DFS analysis])106 106 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/regression/Graph/1/pre/test.conf .], 0) 107 107 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -vvv -D 2.], 0, [stdout], [stderr]) … … 111 111 112 112 AT_BANNER([MoleCuilder - Fragmentation and Re-fragmentation test]) 113 AT_KEYWORDS([fragmentation])114 113 # 1. check config 115 114 AT_SETUP([Fragmentation - Checking present config]) 115 AT_KEYWORDS([fragmentation]) 116 116 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/regression/Fragmentation/1/pre/test.conf .], 0) 117 117 AT_CHECK([fgrep "Ion_Type1_4" test.conf], 0, [Ion_Type1_4 8.532785963 4.787886018 2.645886050 0 # molecule nr 6 … … 136 136 137 137 AT_BANNER([MoleCuilder - Tesselation test]) 138 AT_KEYWORDS([Tesselation])139 138 # 1. Non convex tesselation 140 139 AT_SETUP([Tesselation - Non-Convex Envelope]) 140 AT_KEYWORDS([Tesselation]) 141 141 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/regression/Tesselation/1/pre/* .], 0) 142 142 AT_CHECK([../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope], 0, [stdout], [stderr])
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