#include <crystal.h>
Public Member Functions | |
| crystal () | |
| Not available from Python. | |
| crystal (object const &mtz_object, int i_crystal) | |
| Initialization given a mtz_object and an integer index into the list of crystals owned by the mtz_object. | |
| object | mtz_object () const |
| The contained iotbx::mtz::object instance. | |
| int | i_crystal () const |
| Integer index into the list of crystals owned by mtz_object() . | |
| CMtz::MTZXTAL * | ptr () const |
| Raw C pointer. Not available from Python. | |
| int | id () const |
| Read-only access. | |
| crystal & | set_id (int id) |
| Write access. | |
| const char * | name () const |
| Read-only access. | |
| crystal & | set_name (const char *new_name) |
| Write access. | |
| const char * | project_name () const |
| Read-only access. | |
| crystal & | set_project_name (const char *new_project_name) |
| Write access. | |
| af::small< double, 6 > | unit_cell_parameters () const |
| Read-only access. | |
| cctbx::uctbx::unit_cell | unit_cell () const |
| Read-only access. | |
| crystal & | set_unit_cell_parameters (af::small< double, 6 > const ¶meters) |
| Write access. | |
| int | n_datasets () const |
| Read-only access. | |
| af::shared< dataset > | datasets () const |
| Read-only access. | |
| dataset | add_dataset (const char *name, double wavelength) |
| Adds a new dataset the this crystal. | |
| bool | has_dataset (const char *name) const |
| Test. | |
A crystal object contains (owns) an iotbx::mtz::object and an integer index into the list of crystals owned by the object.
Initialization given a mtz_object and an integer index into the list of crystals owned by the mtz_object.
An exception is thrown if i_crystal is out of range.
| CMtz::MTZXTAL* ptr | ( | ) | const |
Raw C pointer. Not available from Python.
An exception is thrown if i_crystal() is out of range.
Referenced by crystal::id(), crystal::n_datasets(), crystal::name(), and crystal::project_name().
| crystal& set_name | ( | const char * | new_name | ) |
Write access.
An exception is thrown if the new_name is used already by another crystal in the mtz_object().
1.5.6