Chemical Data Processing Library C++ API - Version 1.1.1
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GRAIL/FeatureType.hpp File Reference

Definition of constants in namespace CDPL::GRAIL::FeatureType. More...

#include "CDPL/Pharm/FeatureType.hpp"

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Namespaces

 CDPL
 The namespace of the Chemical Data Processing Library.
 
 CDPL::GRAIL
 Contains classes and functions related to the GRAIL method [GRAIL].
 
 CDPL::GRAIL::FeatureType
 Provides constants for the specification of pharmacophore feature types with extensions for H-bond acceptors and donors.
 

Variables

const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_N = MAX_TYPE + 1
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_N3 = MAX_TYPE + 2
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_N2 = MAX_TYPE + 3
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_Nar = MAX_TYPE + 4
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_Nam = MAX_TYPE + 5
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_Npl3 = MAX_TYPE + 6
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_N4 = MAX_TYPE + 7
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_O = MAX_TYPE + 8
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_O3 = MAX_TYPE + 9
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_S = MAX_TYPE + 10
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_DONOR_S3 = MAX_TYPE + 11
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_N = MAX_TYPE + 12
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_N3 = MAX_TYPE + 13
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_N2 = MAX_TYPE + 14
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_N1 = MAX_TYPE + 15
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_Nar = MAX_TYPE + 16
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_Npl3 = MAX_TYPE + 17
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_O = MAX_TYPE + 18
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_O3 = MAX_TYPE + 19
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_O2 = MAX_TYPE + 20
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_Oco2 = MAX_TYPE + 21
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_S = MAX_TYPE + 22
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_S3 = MAX_TYPE + 23
 
const unsigned int CDPL::GRAIL::FeatureType::H_BOND_ACCEPTOR_S2 = MAX_TYPE + 24
 
const unsigned int CDPL::GRAIL::FeatureType::MAX_EXT_TYPE = H_BOND_ACCEPTOR_S2
 

Detailed Description

Definition of constants in namespace CDPL::GRAIL::FeatureType.