source: tests/regression/Parser/Psi3/testsuite-parser-psi3-load.at@ 752bb4

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Last change on this file since 752bb4 was 752bb4, checked in by Frederik Heber <heber@…>, 13 years ago

Added regression test Parser/Psi3.
  • Property mode set to 100644
File size: 3.5 KB
Line 
1### parsing psi3
2
3AT_SETUP([Parser - loading psi3 file])
4AT_KEYWORDS([parser load psi3])
5
6file=testrhf.psi
7AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
8AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
9
10file=testrohf.psi
11AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
12AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
13
14file=testuhf.psi
15AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
16AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
17
18file=testtwocon.psi
19AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
20AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
21
22AT_CLEANUP
23
24
25AT_SETUP([Parser - loading psi3 file with Undo])
26AT_KEYWORDS([parser load psi3 undo])
27
28file=testrhf.psi
29AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo], 0, [ignore], [ignore])
30AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/empty.psi], 0, [ignore], [ignore])
31
32file=testrohf.psi
33AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo], 0, [ignore], [ignore])
34AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/empty.psi], 0, [ignore], [ignore])
35
36file=testuhf.psi
37AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo], 0, [ignore], [ignore])
38AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/empty.psi], 0, [ignore], [ignore])
39
40file=testtwocon.psi
41AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo], 0, [ignore], [ignore])
42AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/post/empty.psi], 0, [ignore], [ignore])
43
44AT_CLEANUP
45
46
47AT_SETUP([Parser - loading psi3 file with Redo])
48AT_KEYWORDS([parser load psi3 redo])
49
50file=testrhf.psi
51AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo --redo], 0, [ignore], [ignore])
52AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
53
54file=testrohf.psi
55AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo --redo], 0, [ignore], [ignore])
56AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
57
58file=testuhf.psi
59AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo --redo], 0, [ignore], [ignore])
60AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
61
62file=testtwocon.psi
63AT_CHECK([../../molecuilder -i $file -o psi3 -l ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file --undo --redo], 0, [ignore], [ignore])
64AT_CHECK([diff -w -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Psi3/pre/$file], 0, [ignore], [ignore])
65
66AT_CLEANUP
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