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d26d4b076e
* Implementation of SGroups * remove sample files test * update gitignore with test outputs * fix RevisionModifier * re-enable tests * backup commit; things seem to work so far * some refactoring; obvious s group tests pass now * more refactoring * everything now out of the public API * not sure why this was still in there * rename functions; all tests now pass * remove getNextFreeSGroupId; readd comment in copy SGroups * clang-format * squash-merge current master * squash merge master * Address comments on PR - Update to current master. - Move SGroup parse time checks to SGroupChecks namespace. - Store SGroups in ROMOl as vector<SGroups>. - SGroup methods return referenes instead of pointers. - Use atom/bond/sgroup indexes for properties instead of pointers. - Have SGroups inherit from RDProps; move properties to RDProps. - Remove trivial/unused methods. - Add a link to the SD specification atop SGroup.h
12 lines
391 B
Plaintext
12 lines
391 B
Plaintext
# Require us to have the $RDBASE env var set to run the tests
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IF(NOT DEFINED ENV{RDBASE})
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MESSAGE(FATAL_ERROR "\n\nPlease set your RDBASE env variable before running the tests.\n\n")
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ENDIF(NOT DEFINED ENV{RDBASE})
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SET(CTEST_CUSTOM_MEMCHECK_IGNORE
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${CTEST_CUSTOM_MEMCHECK_IGNORE}
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# python tests are not memchecked: these are slow, and difficult to interpret
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${RDKIT_PYTEST_CACHE}
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)
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