QuadrivalentAtom Class Reference
#include <Compound.h>
Inheritance diagram for QuadrivalentAtom:
Detailed Description
Base class for atoms having exactly four covalent bonds.Bond centers are named "bond1", "bond2", "bond3", and "bond4"
Public Member Functions | |
| QuadrivalentAtom (const Compound::AtomName &atomName, const Element &element) | |
| QuadrivalentAtom (const Compound::AtomName &atomName, const Element &element, Angle bond12Angle, Angle bond13Angle, Angle bond14Angle, Angle dihedral3, Angle dihedral4) | |
Constructor & Destructor Documentation
| QuadrivalentAtom | ( | const Compound::AtomName & | atomName, | |
| const Element & | element | |||
| ) | [inline] |
- Parameters:
-
atomName name for new atom element chemical element for new atom
References Compound::addFirstBondCenter(), Compound::addLeftHandedBondCenter(), Compound::addRightHandedBondCenter(), Compound::addSecondBondCenter(), Compound::setCompoundName(), and Compound::setInboardBondCenter().
| QuadrivalentAtom | ( | const Compound::AtomName & | atomName, | |
| const Element & | element, | |||
| Angle | bond12Angle, | |||
| Angle | bond13Angle, | |||
| Angle | bond14Angle, | |||
| Angle | dihedral3, | |||
| Angle | dihedral4 | |||
| ) | [inline] |
- Parameters:
-
atomName name for new atom element chemical element for new atom bond12Angle bond angle in radians between bond center 1 and bond center 2 bond13Angle bond angle in radians between bond center 1 and bond center 3 bond14Angle bond angle in radians between bond center 1 and bond center 4 dihedral3 dihedral angle of bond center 3, relative to dihedral of bond center 2 dihedral4 dihedral angle of bond center 4, relative to dihedral of bond center 2
References Compound::addFirstBondCenter(), Compound::addLeftHandedBondCenter(), Compound::addRightHandedBondCenter(), Compound::addSecondBondCenter(), SimTK::dot(), Compound::setCompoundName(), and Compound::setInboardBondCenter().
The documentation for this class was generated from the following file:
