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All query molecule constructors provide the ability to specify the implementation type through the unsigned integer ''type'' argument. The default implementation type is provided as a default argument when not explicitly specified. If additional query molecule implementations exist they will be listed in the OEQMolType namespace. Copy constructors which take a non-query molecule type as an argument do not, by default, build atom and bond expressions used in graph matching. The OEQMolBase::BuildExpressions (Section 3.31.3) method should be called to build query expressions after copy constructing a molecule using something other than a query molecule.
explicit OEQMol(unsigned int type = OEQMolType::OEDefault)
Default constructor.
OEQMol(const OEQMol &mol, unsigned int type = OEQMolType::OEDefault)
Copy construct a query molecule. Atom and bond expressions will be copied from the source molecule.
OEQMol(const OEGraphMol &mol, unsigned int type = OEQMolType::OEDefault)
Construct a query molecule from a base molecule.
OEQMol(const OEMol &mol, unsigned int type = OEQMolType::OEDefault)
Construct a query molecule from a multi-conformer molecule.
OEQMol(const OEMolBase &mol, unsigned int type = OEQMolType::OEDefault)
Construct a query molecule from a base molecule.
OEQMol(const OEQMolBase &, unsigned int type = OEQMolType::OEDefault)
Copy construct a query molecule. Atom and bond expressions will be copied from the source molecule.
OEQMol(const OEMCMolBase &, unsigned int type = OEQMolType::OEDefault)
Construct a query molecule from a multi-conformer molecule.
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