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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CONFGEN_FRAGMENTASSEMBLERSETTINGS_HPP
30 #define CDPL_CONFGEN_FRAGMENTASSEMBLERSETTINGS_HPP
68 unsigned int nitrogenEnumMode;
75 #endif // CDPL_CONFGEN_FRAGMENTASSEMBLERSETTINGS_HPP
bool enumerateRings() const
void generateCoordinatesFromScratch(bool generate)
FragmentConformerGeneratorSettings & getFragmentBuildSettings()
void setNitrogenEnumerationMode(unsigned int mode)
void enumerateRings(bool enumerate)
bool generateCoordinatesFromScratch() const
Definition: FragmentAssemblerSettings.hpp:43
Definition of the preprocessor macro CDPL_CONFGEN_API.
unsigned int getNitrogenEnumerationMode() const
#define CDPL_CONFGEN_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
The namespace of the Chemical Data Processing Library.
static const FragmentAssemblerSettings DEFAULT
Definition: FragmentAssemblerSettings.hpp:46
const FragmentConformerGeneratorSettings & getFragmentBuildSettings() const
FragmentAssemblerSettings()