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RDKit
Open-source cheminformatics and machine learning.
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#include <new_canon.h>
Public Member Functions | |
bondholder () | |
bondholder (Bond::BondType bt, Bond::BondStereo bs, unsigned int ni, unsigned int nsc) | |
bondholder (Bond::BondType bt, unsigned int bs, unsigned int ni, unsigned int nsc) | |
bool | operator< (const bondholder &o) const |
Static Public Member Functions | |
static bool | greater (const bondholder &lhs, const bondholder &rhs) |
static int | compare (const bondholder &x, const bondholder &y, unsigned int div=1) |
Public Attributes | |
Bond::BondType | bondType |
unsigned int | bondStereo |
unsigned int | nbrSymClass |
unsigned int | nbrIdx |
Definition at line 32 of file new_canon.h.
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inline |
Definition at line 37 of file new_canon.h.
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inline |
Definition at line 42 of file new_canon.h.
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inline |
Definition at line 48 of file new_canon.h.
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inlinestatic |
Definition at line 63 of file new_canon.h.
References bondStereo, bondType, and nbrSymClass.
Referenced by RDKit::Canon::SpecialChiralityAtomCompareFunctor::operator()(), RDKit::Canon::SpecialSymmetryAtomCompareFunctor::operator()(), RDKit::Canon::AtomCompareFunctor::operator()(), and RDKit::Canon::ChiralAtomCompareFunctor::operator()().
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inlinestatic |
Definition at line 56 of file new_canon.h.
References bondStereo, bondType, and nbrSymClass.
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inline |
Definition at line 51 of file new_canon.h.
References bondStereo, bondType, and nbrSymClass.
unsigned int RDKit::Canon::bondholder::bondStereo |
Definition at line 34 of file new_canon.h.
Referenced by compare(), greater(), and operator<().
Bond::BondType RDKit::Canon::bondholder::bondType |
Definition at line 33 of file new_canon.h.
Referenced by compare(), greater(), and operator<().
unsigned int RDKit::Canon::bondholder::nbrIdx |
Definition at line 36 of file new_canon.h.
unsigned int RDKit::Canon::bondholder::nbrSymClass |
Definition at line 35 of file new_canon.h.
Referenced by compare(), greater(), and operator<().