source: tests/regression/Parser/Pdb/testsuite-parser-pdb.at@ 4fdc65

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Last change on this file since 4fdc65 was c6aeb1, checked in by Frederik Heber <heber@…>, 14 years ago

Added regression test for Parser/Pdb for PDB files with CONECT entries.
  • Property mode set to 100644
File size: 1.8 KB
RevLine 
[f2230e]1### parsing pdb
2
3AT_SETUP([Parser - loading pdb file])
4AT_KEYWORDS([parser,pdb])
5AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb], 0, [ignore], [ignore])
6AT_CHECK([file=test.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/$file], 0, [ignore], [ignore])
7AT_CLEANUP
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[c6aeb1]9AT_SETUP([Parser - loading pdb file with CONECTs])
10AT_KEYWORDS([parser,pdb])
11AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test_conect.pdb], 0, [ignore], [ignore])
12AT_CHECK([file=test_conect.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/$file], 0, [ignore], [ignore])
13AT_CLEANUP
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[9dba5f]15AT_SETUP([Parser - loading pdb file with multiple time steps])
16AT_KEYWORDS([parser,pdb])
17AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti.pdb], 0, [ignore], [ignore])
18AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/$file], 0, [ignore], [ignore])
19AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/testmulti2.pdb], 0, [ignore], [ignore])
20AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/$file], 0, [ignore], [ignore])
21AT_CLEANUP
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[f2230e]23AT_SETUP([Parser - saving pdb file])
24AT_KEYWORDS([parser,pdb])
25AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/pre/test.pdb --output store.pdb], 0, [ignore], [ignore])
26AT_CHECK([diff -I '.*created by molecuilder.*' store.pdb ${abs_top_srcdir}/${AUTOTEST_PATH}/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore])
27AT_CLEANUP
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