Chemical Data Processing Library C++ API - Version 1.1.1
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Declaration of functions that operate on Chem::Fragment instances. More...
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Namespaces | |
CDPL | |
The namespace of the Chemical Data Processing Library. | |
CDPL::Chem | |
Contains classes and functions related to chemistry. | |
Functions | |
CDPL_CHEM_API bool | CDPL::Chem::makeHydrogenDeplete (Fragment &frag) |
Removes all explicit hydrogen atoms from the fragment frag. More... | |
CDPL_CHEM_API bool | CDPL::Chem::makeOrdinaryHydrogenDeplete (Fragment &frag, unsigned int flags) |
Removes all explicit ordinary hydrogen atoms from the fragment frag. More... | |
CDPL_CHEM_API void | CDPL::Chem::removeAtomsIf (Fragment &frag, const AtomPredicate &pred) |
CDPL_CHEM_API void | CDPL::Chem::removeAtomsIfNot (Fragment &frag, const AtomPredicate &pred) |
Declaration of functions that operate on Chem::Fragment instances.