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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_FRAGMENTFUNCTIONS_HPP
30 #define CDPL_CHEM_FRAGMENTFUNCTIONS_HPP
66 #endif // CDPL_CHEM_FRAGMENTFUNCTIONS_HPP
CDPL_CHEM_API void removeAtomsIf(Fragment &frag, const AtomPredicate &pred)
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Fragment.
Definition: Fragment.hpp:52
std::function< bool(const Chem::Atom &)> AtomPredicate
A generic wrapper class used to store a user-defined atom predicate.
Definition: AtomPredicate.hpp:41
Type definition of a generic wrapper class for storing user-defined Chem::Atom predicates.
CDPL_CHEM_API bool makeHydrogenDeplete(Fragment &frag)
Removes all explicit hydrogen atoms from the fragment frag.
CDPL_CHEM_API bool makeOrdinaryHydrogenDeplete(Fragment &frag, unsigned int flags)
Removes all explicit ordinary hydrogen atoms from the fragment frag.
CDPL_CHEM_API void removeAtomsIfNot(Fragment &frag, const AtomPredicate &pred)
The namespace of the Chemical Data Processing Library.