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56170a455d
* Add support for Marvin files * And MRV lib to the Java wrapper * And MRV lib to the Java wrapper * Removed use of void * in MarvinParser.cpp and MarvinParser.h * Changes as per code review from Greg * Changes for PR review - many virtual methods * changes as per Jonathan's comments * some suggested changes * PR review changes and fixed unit tests * after merge, changes to make it run * More PR review changes * removed unneeded std::move()s · rdkit/rdkit@b4b8b9a · GitHub * More PR review changes * fix a compile error * more defensive programming * reorder * final? PR review updates * Erata --------- Co-authored-by: Tad Hurst <tad.hurst@collaborativedrug.com> Co-authored-by: greg landrum <greg.landrum@gmail.com> Co-authored-by: tadhurst-cdd <112502803+tadhurst-cdd@users.noreply.github.com>
93 lines
2.9 KiB
Plaintext
93 lines
2.9 KiB
Plaintext
$RXN
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RDKit
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2 1 0
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$MOL
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RDKit 2D
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M END
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$MOL
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RDKit 2D
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RDKit 2D
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1 2 1 0
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7 8 2 0
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M STY 1 1 SUP
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M SDI 1 4 0.0000 0.0000 0.0000 0.0000
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M END
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