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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_PHARM_PHARMACOPHOREFITSCREENINGSCORE_HPP
30 #define CDPL_PHARM_PHARMACOPHOREFITSCREENINGSCORE_HPP
51 double ftr_pos_match_weight = DEF_FTR_POS_MATCH_WEIGHT,
52 double ftr_geom_match_weight = DEF_FTR_GEOM_MATCH_WEIGHT);
59 #endif // CDPL_PHARM_PHARMACOPHOREFITSCREENINGSCORE_HPP
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
PharmacophoreFitScreeningScore(double ftr_match_cnt_weight=DEF_FTR_MATCH_COUNT_WEIGHT, double ftr_pos_match_weight=DEF_FTR_POS_MATCH_WEIGHT, double ftr_geom_match_weight=DEF_FTR_GEOM_MATCH_WEIGHT)
PharmacophoreFitScreeningScore.
Definition: PharmacophoreFitScreeningScore.hpp:47
Definition of the class CDPL::Pharm::ScreeningProcessor.
PharmacophoreFitScore.
Definition: PharmacophoreFitScore.hpp:51
Definition: Pharm/ScreeningProcessor.hpp:72
The namespace of the Chemical Data Processing Library.
double operator()(const ScreeningProcessor::SearchHit &hit)
Definition of the class CDPL::Pharm::PharmacophoreFitScore.