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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 pid1, unsigned int pid2, unsigned int pid3, unsigned int pid4, double lowerVolBound, double upperVolBound) | |
double | getUpperVolumeBound () const |
double | getLowerVolumeBound () const |
Public Attributes | |
unsigned int | d_idx1 |
unsigned int | d_idx2 |
unsigned int | d_idx3 |
unsigned int | d_idx4 |
double | d_volumeLowerBound |
double | d_volumeUpperBound |
Class used to store a quartet of points and chiral volume bounds on them.
Definition at line 22 of file ChiralSet.h.
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inline |
Definition at line 32 of file ChiralSet.h.
References CHECK_INVARIANT.
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inline |
Definition at line 46 of file ChiralSet.h.
References d_volumeLowerBound.
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inline |
Definition at line 42 of file ChiralSet.h.
References d_volumeUpperBound.
unsigned int DistGeom::ChiralSet::d_idx1 |
Definition at line 25 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx2 |
Definition at line 26 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx3 |
Definition at line 27 of file ChiralSet.h.
unsigned int DistGeom::ChiralSet::d_idx4 |
Definition at line 28 of file ChiralSet.h.
double DistGeom::ChiralSet::d_volumeLowerBound |
Definition at line 29 of file ChiralSet.h.
Referenced by getLowerVolumeBound().
double DistGeom::ChiralSet::d_volumeUpperBound |
Definition at line 30 of file ChiralSet.h.
Referenced by getUpperVolumeBound().