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OpenMD::GhostBend Class Reference
Inheritance diagram for OpenMD::GhostBend:
Public Member Functions | |
| GhostBend (Atom *atom1, DirectionalAtom *ghostAtom, BendType *bt) | |
| virtual void | calcForce (RealType &angle, bool doParticlePot) |
| Public Member Functions inherited from OpenMD::Bend | |
| Bend (Atom *atom1, Atom *atom2, Atom *atom3, BendType *bt) | |
| RealType | getValue (int snapshotNo) |
| Returns the value of this ShortRangeInteraction in specified snapshot. | |
| RealType | getPotential () |
| Atom * | getAtomA () |
| Atom * | getAtomB () |
| Atom * | getAtomC () |
| BendType * | getBendType () |
| virtual std::string | getName () |
| Returns the name of this ShortRangeInteraction. | |
| virtual void | setName (const std::string &name) |
| Sets the name of this bend for selections. | |
| void | accept (BaseVisitor *v) |
| Bend (Atom *atom1, Atom *atom2, Atom *atom3, BendType *bt) | |
| RealType | getValue (int snapshotNo) |
| Returns the value of this ShortRangeInteraction in specified snapshot. | |
| RealType | getPotential () |
| Atom * | getAtomA () |
| Atom * | getAtomB () |
| Atom * | getAtomC () |
| BendType * | getBendType () |
| virtual std::string | getName () |
| Returns the name of this ShortRangeInteraction. | |
| virtual void | setName (const std::string &name) |
| Sets the name of this bend for selections. | |
| void | accept (BaseVisitor *v) |
| virtual RealType | getPrevValue () |
| Returns the previous value of this ShortRangeInteraction. | |
| virtual RealType | getValue () |
| Returns the current value of this ShortRangeInteraction. | |
| Public Member Functions inherited from OpenMD::ShortRangeInteraction | |
| int | getGlobalIndex () |
| Returns the global index of this ShortRangeInteraction. | |
| void | setGlobalIndex (int index) |
| Sets the global index of this ShortRangeInteraction. | |
| int | getLocalIndex () |
| Returns the local index of this ShortRangeInteraction. | |
| void | setLocalIndex (int index) |
| Sets the local index of this ShortRangeInteraction. | |
| void | setSnapshotManager (SnapshotManager *sman) |
| Sets the Snapshot Manager of this ShortRangeInteraction. | |
| virtual std::vector< Atom * > | getAtoms () |
| void | addProperty (std::shared_ptr< GenericData > genData) |
| Adds property into property map. | |
| void | removeProperty (const std::string &propName) |
| Removes property from PropertyMap by name. | |
| std::vector< std::string > | getPropertyNames () |
| Returns all names of properties. | |
| std::vector< std::shared_ptr< GenericData > > | getProperties () |
| Returns all of the properties in PropertyMap. | |
| std::shared_ptr< GenericData > | getPropertyByName (const std::string &propName) |
| Returns property. | |
Additional Inherited Members | |
| Protected Member Functions inherited from OpenMD::ShortRangeInteraction | |
| ShortRangeInteraction (const ShortRangeInteraction &sri) | |
| ShortRangeInteraction & | operator= (const ShortRangeInteraction &sri) |
| Protected Attributes inherited from OpenMD::Bend | |
| RealType | potential_ {} |
| BendType * | bendType_ |
| bend type | |
| std::string | name_ |
| Protected Attributes inherited from OpenMD::ShortRangeInteraction | |
| SnapshotManager * | snapshotMan_ |
| std::vector< Atom * > | atoms_ |
| int | globalIndex_ |
| int | localIndex_ |
Detailed Description
Definition at line 60 of file GhostBend.hpp.
Constructor & Destructor Documentation
◆ GhostBend()
|
inline |
Definition at line 62 of file GhostBend.hpp.
Member Function Documentation
◆ calcForce()
|
virtual |
- Todo
- still a lot left to improve
Reimplemented from OpenMD::Bend.
Definition at line 57 of file GhostBend.cpp.
References OpenMD::StuntDouble::addFrc(), OpenMD::StuntDouble::addParticlePot(), OpenMD::StuntDouble::addTrq(), OpenMD::Bend::bendType_, OpenMD::cross(), OpenMD::dot(), OpenMD::StuntDouble::getA(), OpenMD::RectMatrix< Real, Row, Col >::getColumn(), OpenMD::SnapshotManager::getCurrentSnapshot(), OpenMD::StuntDouble::getPos(), OpenMD::Vector< Real, Dim >::length(), and OpenMD::Snapshot::wrapVector().
The documentation for this class was generated from the following files:
- primitives/GhostBend.hpp
- primitives/GhostBend.cpp
