RDKit: PositionConstraint.h Source File

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UFF/PositionConstraint.h
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1//
2// Copyright (C) 2013-2024 Paolo Tosco and other RDKit contributors
3//
4// @@ All Rights Reserved @@
5// This file is part of the RDKit.
6// The contents are covered by the terms of the BSD license
7// which is included in the file license.txt, found at the root
8// of the RDKit source tree.
9//
10#include <RDGeneral/export.h>
11#ifndef RD_UFFPOSITIONCONSTRAINT_H
12#define RD_UFFPOSITIONCONSTRAINT_H
13#include <ForceField/PositionConstraint.h>
14
15namespace ForceFields {
16namespace UFF {
17 using PositionConstraintContrib = ForceFields::PositionConstraintContrib;
18} // namespace UFF
19} // namespace ForceFields
20#endif
PositionConstraint.h
ForceFields::PositionConstraintContrib
A position constraint of the type 0.5k * deltaX^2.
Definition PositionConstraint.h:20
export.h
ForceFields::UFF
Definition UFF/AtomTyper.h:19
ForceFields::UFF::PositionConstraintContrib
ForceFields::PositionConstraintContrib PositionConstraintContrib
Definition UFF/PositionConstraint.h:17
ForceFields
Definition TorsionAngleContribs.h:21