ObjCryst::MolZAtom Struct Reference
Light-weight representation of an atom in the molecule, as a part of a Z-matrix. More...
Collaboration diagram for ObjCryst::MolZAtom:
Public Attributes | |
| const ScatteringPower * | mpPow |
| unsigned long | mBondAtom |
| unsigned long | mBondAngleAtom |
| unsigned long | mDihedralAtom |
| REAL | mBondLength |
| REAL | mBondAngle |
| REAL | mDihedralAngle |
Detailed Description
Light-weight representation of an atom in the molecule, as a part of a Z-matrix.
This is used to export the Molecule structure to a z-matrix.
- Todo:
- : some flags could be added to mark the fixed/limited nature of the parameters.
Definition at line 710 of file Molecule.h.
The documentation for this struct was generated from the following file:
