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add in-place form of addHs()

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This commit is contained in:
Greg Landrum
2013-10-04 07:58:53 +02:00
parent 937ee9f60a
commit c95d57aa54
9 changed files with 68 additions and 72 deletions
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2
Code/GraphMol/Subgraphs/test2.cpp
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@@ -102,7 +102,7 @@ void test2()
std::string smiles="CC1CC1";
RWMol *mol=SmilesToMol(smiles);
TEST_ASSERT(mol);
ROMol *mH=MolOps::addHs(*mol);
ROMol *mH=MolOps::addHs(static_cast<const ROMol &>(*mol));
PATH_TYPE pth=findAtomEnvironmentOfRadiusN(*mH,1,0);
TEST_ASSERT(pth.size()==1);