mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
c5de9f8843
* added *S-S* and bounds overwriting tests * fixed *S-S* * added bounds overwriting test * searching for the bug * added test case * improved tests + fixed bug 9166 * updated ref mols * regenerated refs * clean up * changed ref data * removed print statements * Update Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Typo Co-authored-by: Greg Landrum <greg.landrum@gmail.com> * Incooperated suggestions * applied remaining suggestions * restored imports --------- Co-authored-by: Katharina Buchthal <katharina.buchthal@phys.chem.ethz.ch> Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
223 lines
7.2 KiB
Plaintext
223 lines
7.2 KiB
Plaintext
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RDKit 3D
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$$$$
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RDKit 3D
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RDKit 3D
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RDKit 3D
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RDKit 3D
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RDKit 3D
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$$$$
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RDKit 3D
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RDKit 3D
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$$$$
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RDKit 3D
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$$$$
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RDKit 3D
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