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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CONFGEN_FRAGMENTCONFORMERGENERATORSETTINGS_HPP
30 #define CDPL_CONFGEN_FRAGMENTCONFORMERGENERATORSETTINGS_HPP
82 std::size_t maxNumSampledConfs;
83 std::size_t minNumSampledConfs;
84 std::size_t maxNumOutputConfs;
143 bool preserveBondGeom;
144 unsigned int forceFieldType;
146 double dielectricConst;
148 std::size_t maxNumRefIters;
150 std::size_t mcRotorBondCountThresh;
151 std::size_t srSamplingFactor;
159 #endif // CDPL_CONFGEN_FRAGMENTCONFORMERGENERATORSETTINGS_HPP
Definition of the preprocessor macro CDPL_CONFGEN_API.
#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.