RDKit
Open-source cheminformatics and machine learning.
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#include <O3AAlignMolecules.h>
Public Member Functions | |
MolHistogram (const ROMol &mol, const double *dmat, bool cleanupDmat=false) | |
~MolHistogram ()=default | |
int | get (const unsigned int y, const unsigned int x) const |
Definition at line 131 of file O3AAlignMolecules.h.
RDKit::MolAlign::MolHistogram::MolHistogram | ( | const ROMol & | mol, |
const double * | dmat, | ||
bool | cleanupDmat = false |
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default |
Definition at line 135 of file O3AAlignMolecules.h.
References PRECONDITION.