RDKit: DistGeom::ChiralViolationContribsParams Struct Reference

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Public Member Functions | Public Attributes | List of all members
DistGeom::ChiralViolationContribsParams Struct Reference

`#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}

## Detailed Description

Definition at line 28 of file ChiralViolationContribs.h.

## Constructor & Destructor Documentation

## ◆ ChiralViolationContribsParams()

DistGeom::ChiralViolationContribsParams::ChiralViolationContribsParams | ( | unsigned int | i1,
|  | unsigned int | i2,
|  | unsigned int | i3,
|  | unsigned int | i4,
|  | double | u,
|  | double | l,
|  | double | w = 1.0 )
| inline

Definition at line 33 of file ChiralViolationContribs.h.

References idx1, idx2, idx3, idx4, volLower, volUpper, and weight.

## Member Data Documentation

## ◆ idx1

unsigned int DistGeom::ChiralViolationContribsParams::idx1 {0}

Definition at line 29 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ idx2

unsigned int DistGeom::ChiralViolationContribsParams::idx2 {0}

Definition at line 29 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ idx3

unsigned int DistGeom::ChiralViolationContribsParams::idx3 {0}

Definition at line 29 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ idx4

unsigned int DistGeom::ChiralViolationContribsParams::idx4 {0}

Definition at line 29 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ volLower

double DistGeom::ChiralViolationContribsParams::volLower {0.0}

Definition at line 31 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ volUpper

double DistGeom::ChiralViolationContribsParams::volUpper {0.0}

Definition at line 30 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

## ◆ weight

double DistGeom::ChiralViolationContribsParams::weight {1.0}

Definition at line 32 of file ChiralViolationContribs.h.

Referenced by ChiralViolationContribsParams().

The documentation for this struct was generated from the following file:

- ChiralViolationContribs.h