source: tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at@ 7a1dd0

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Last change on this file since 7a1dd0 was 7a1dd0, checked in by Frederik Heber <heber@…>, 14 years ago

Added regression tests on parsing present but empty files.

  • every Parser now first loads an empty file (no newlinw, 0 bytes) as initial regression test.
  • this closes ticket #131.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1### parsing mpqc
2
3AT_SETUP([Parser - loading empty mpqc file])
4AT_KEYWORDS([parser,mpqc,emptyfile])
5AT_CHECK([/bin/cp ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/empty.in .], 0, [ignore], [ignore])
6AT_CHECK([../../molecuilder -i empty.in -o mpqc], 0, [ignore], [ignore])
7AT_CLEANUP
8
9AT_SETUP([Parser - loading mpqc file])
10AT_KEYWORDS([parser,mpqc])
11AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/testCLHF.in] -o mpqc, 0, [ignore], [ignore])
12AT_CHECK([file=testCLHF.in; diff -I '%.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
13AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/testCLKS.in] -o mpqc, 0, [ignore], [ignore])
14AT_CHECK([file=testCLKS.in; diff -I '%.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
15AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/testMBPT2.in] -o mpqc, 0, [ignore], [ignore])
16AT_CHECK([file=testMBPT2.in; diff -I '%.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
17AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/testMBPT2_R12.in] -o mpqc, 0, [ignore], [ignore])
18AT_CHECK([file=testMBPT2_R12.in; diff -I '%.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
19AT_CLEANUP
20
21AT_SETUP([Parser - storing mpqc from loaded xyz file])
22AT_KEYWORDS([parser,mpqc,xyz])
23AT_CHECK([../../molecuilder -i test.xyz -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/test.xyz], 0, [ignore], [ignore])
24AT_CHECK([file=test.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/$file], 0, [ignore], [ignore])
25AT_CLEANUP
26
27AT_SETUP([Parser - saving mpqc (from parsed xyz) file])
28AT_KEYWORDS([parser,mpqc,xyz])
29AT_CHECK([../../molecuilder -i test.xyz -o mpqc -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/pre/test.xyz --output store.in], 0, [ignore], [ignore])
30AT_CHECK([diff store.in ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Mpqc/post/test.in], 0, [ignore], [ignore])
31AT_CLEANUP
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