RDKit
Open-source cheminformatics and machine learning.
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#include <ChiralViolationContribs.h>
Public Member Functions | |
ChiralViolationContribsParams (unsigned int i1, unsigned int i2, unsigned int i3, unsigned int i4, double u, double l, double w=1.0) | |
Public Attributes | |
unsigned int | idx1 {0} |
unsigned int | idx2 {0} |
unsigned int | idx3 {0} |
unsigned int | idx4 {0} |
double | volUpper {0.0} |
double | volLower {0.0} |
double | weight {1.0} |
Definition at line 21 of file ChiralViolationContribs.h.
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inline |
Definition at line 26 of file ChiralViolationContribs.h.
unsigned int DistGeom::ChiralViolationContribsParams::idx1 {0} |
Definition at line 22 of file ChiralViolationContribs.h.
unsigned int DistGeom::ChiralViolationContribsParams::idx2 {0} |
Definition at line 22 of file ChiralViolationContribs.h.
unsigned int DistGeom::ChiralViolationContribsParams::idx3 {0} |
Definition at line 22 of file ChiralViolationContribs.h.
unsigned int DistGeom::ChiralViolationContribsParams::idx4 {0} |
Definition at line 22 of file ChiralViolationContribs.h.
double DistGeom::ChiralViolationContribsParams::volLower {0.0} |
Definition at line 24 of file ChiralViolationContribs.h.
double DistGeom::ChiralViolationContribsParams::volUpper {0.0} |
Definition at line 23 of file ChiralViolationContribs.h.
double DistGeom::ChiralViolationContribsParams::weight {1.0} |
Definition at line 25 of file ChiralViolationContribs.h.