RDKit: BondStretch.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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BondStretch.h File Reference
`#include <RDGeneral/export.h>`
`#include <ForceField/Contrib.h>`

Go to the source code of this file.

## Classes
class | ForceFields::UFF::BondStretchContrib
| The bond-stretch term for the Universal Force Field. More...

## Namespaces
namespace | ForceFields
namespace | ForceFields::UFF
namespace | ForceFields::UFF::Utils

## Functions
RDKIT_FORCEFIELD_EXPORT double | ForceFields::UFF::Utils::calcBondRestLength (double bondOrder, const AtomicParams *end1Params, const AtomicParams *end2Params)
| calculates and returns the UFF rest length for a bond
RDKIT_FORCEFIELD_EXPORT double | ForceFields::UFF::Utils::calcBondForceConstant (double restLength, const AtomicParams *end1Params, const AtomicParams *end2Params)
| calculates and returns the UFF force constant for a bond