RDKit
Open-source cheminformatics and machine learning.
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Class used to store a quartet of points and chiral volume bounds on them. More...
#include <ChiralSet.h>
Public Member Functions | |
ChiralSet (unsigned int pid0, unsigned int pid1, unsigned int pid2, unsigned int pid3, unsigned int pid4, double lowerVolBound, double upperVolBound, std::uint64_t structureFlags=0) | |
double | getUpperVolumeBound () const |
double | getLowerVolumeBound () const |
Public Attributes | |
unsigned int | d_idx0 |
unsigned int | d_idx1 |
unsigned int | d_idx2 |
unsigned int | d_idx3 |
unsigned int | d_idx4 |
double | d_volumeLowerBound |
double | d_volumeUpperBound |
std::uint64_t | d_structureFlags |
Class used to store a quartet of points and chiral volume bounds on them.
Definition at line 29 of file ChiralSet.h.
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inline |
Definition at line 41 of file ChiralSet.h.
References CHECK_INVARIANT.
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inline |
Definition at line 59 of file ChiralSet.h.
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inline |
Definition at line 57 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx0 |
Definition at line 31 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx1 |
Definition at line 32 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx2 |
Definition at line 33 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx3 |
Definition at line 34 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx4 |
Definition at line 35 of file ChiralSet.h.
std::uint64_t DistGeom::ChiralSet::d_structureFlags |
Definition at line 38 of file ChiralSet.h.
double DistGeom::ChiralSet::d_volumeLowerBound |
Definition at line 36 of file ChiralSet.h.
double DistGeom::ChiralSet::d_volumeUpperBound |
Definition at line 37 of file ChiralSet.h.