Chemical Data Processing Library C++ API - Version 1.1.1
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PharmacophoreFitScreeningScore. More...
#include <PharmacophoreFitScreeningScore.hpp>
Additional Inherited Members | |
Static Public Attributes inherited from CDPL::Pharm::PharmacophoreFitScore | |
static constexpr double | DEF_FTR_MATCH_COUNT_WEIGHT = 1.0 |
static constexpr double | DEF_FTR_POS_MATCH_WEIGHT = 0.5 |
static constexpr double | DEF_FTR_GEOM_MATCH_WEIGHT = 0.4 |
CDPL::Pharm::PharmacophoreFitScreeningScore::PharmacophoreFitScreeningScore | ( | double | ftr_match_cnt_weight = DEF_FTR_MATCH_COUNT_WEIGHT , |
double | ftr_pos_match_weight = DEF_FTR_POS_MATCH_WEIGHT , |
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double | ftr_geom_match_weight = DEF_FTR_GEOM_MATCH_WEIGHT |
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) |
double CDPL::Pharm::PharmacophoreFitScreeningScore::operator() | ( | const ScreeningProcessor::SearchHit & | hit | ) |