RDKit: RDKit::MolAlign::O3AConstraint Class Reference

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RDKit::MolAlign::O3AConstraint Class Reference

`#include <O3AAlignMolecules.h>`

## Public Member Functions
double | getPrbIdx ()
double | getRefIdx ()
double | getWeight ()

## Friends
class | O3AConstraintVect

## Detailed Description

A class to define alignment constraints. Each constraint is defined by a pair of atom indexes (one for the probe, one for the reference) and a weight. Constraints can can be added via the O3AConstraintVect class.

Definition at line 49 of file O3AAlignMolecules.h.

## Member Function Documentation

## ◆ getPrbIdx()

double RDKit::MolAlign::O3AConstraint::getPrbIdx | ( |  | ) |
| inline

Definition at line 53 of file O3AAlignMolecules.h.

## ◆ getRefIdx()

double RDKit::MolAlign::O3AConstraint::getRefIdx | ( |  | ) |
| inline

Definition at line 54 of file O3AAlignMolecules.h.

## ◆ getWeight()

double RDKit::MolAlign::O3AConstraint::getWeight | ( |  | ) |
| inline

Definition at line 55 of file O3AAlignMolecules.h.

## Friends And Related Symbol Documentation

## ◆ O3AConstraintVect

friend class O3AConstraintVect
| friend

Definition at line 50 of file O3AAlignMolecules.h.

References O3AConstraintVect.

Referenced by O3AConstraintVect.

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

- O3AAlignMolecules.h