clipper::MiniMol Class Reference
MiniMol lightweight coordinate model object. More...
#include <minimol.h>
Inheritance diagram for clipper::MiniMol:
Public Types | |
| enum | MODE { UNIQUE, ANY } |
Public Member Functions | |
| MiniMol () | |
| null constructor | |
| MiniMol (const Spacegroup &spacegroup, const Cell &cell) | |
| constructor: from spacegroup and cell | |
| void | init (const Spacegroup &spacegroup, const Cell &cell) |
| initialiser: from spacegroup and cell | |
| const Cell & | cell () const |
| get the cell | |
| const Spacegroup & | spacegroup () const |
| get the spacegroup | |
| const MModel & | model () const |
| explicitly get model | |
| MModel & | model () |
| explicitly set model | |
| bool | is_null () const |
| test for null model | |
Detailed Description
MiniMol lightweight coordinate model object.
A MiniMol object is a model (clipper::MModel) embedded in a crystal frame, i.e. with additional spacegroup and cell information.
The design of this object was inspired by and contributed to by Paul Emsley.
Constructor & Destructor Documentation
| clipper::MiniMol::MiniMol | ( | const Spacegroup & | spacegroup, | |
| const Cell & | cell | |||
| ) |
constructor: from spacegroup and cell
The object is constructed with no atoms.
- Parameters:
-
spacegroup the spacegroup. cell the cell.
References init(), and clipper::message.
Member Function Documentation
| void clipper::MiniMol::init | ( | const Spacegroup & | spacegroup, | |
| const Cell & | cell | |||
| ) |
initialiser: from spacegroup and cell
The object is initialised with no atoms.
- Parameters:
-
spacegroup the spacegroup. cell the cell.
Reimplemented in clipper::CMiniMol.
Referenced by clipper::CMiniMol::init(), and MiniMol().
The documentation for this class was generated from the following files:
- minimol.h
- minimol.cpp
