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RDKit
Open-source cheminformatics and machine learning.
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#include <AlignMolecules.h>
Public Member Functions | |
MolAlignException (const char *msg) | |
construct with an error message More... | |
MolAlignException (const std::string msg) | |
construct with an error message More... | |
const char * | message () const |
get the error message More... | |
~MolAlignException () throw () | |
Definition at line 23 of file AlignMolecules.h.
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inline |
construct with an error message
Definition at line 26 of file AlignMolecules.h.
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inline |
construct with an error message
Definition at line 28 of file AlignMolecules.h.
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inline |
Definition at line 31 of file AlignMolecules.h.
References RDKit::MolAlign::alignMol(), RDKit::MolAlign::alignMolConformers(), RDKit::MolAlign::getAlignmentTransform(), and RDKit::MolAlign::reflect().
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inline |
get the error message
Definition at line 30 of file AlignMolecules.h.