#include <column.h>
Public Member Functions | |
| column () | |
| Not available from Python. | |
| column (dataset const &mtz_dataset, int i_column) | |
| Initialization given a mtz_dataset and an integer index into the list of columns owned by the mtz_dataset. | |
| dataset | mtz_dataset () const |
| The contained iotbx::mtz::dataset instance. | |
| int | i_column () const |
| Integer index into the list of columns owned by mtz_dataset() . | |
| crystal | mtz_crystal () const |
| Shorthand for mtz_dataset().mtz_crystal() . | |
| object | mtz_object () const |
| Shorthand for mtz_crystal().mtz_object() . | |
| CMtz::MTZCOL * | ptr () const |
| Raw C pointer. Not available from Python. | |
| const char * | label () const |
| Read-only access. | |
| column & | set_label (const char *new_label) |
| Write access. | |
| const char * | type () const |
| Read-only access. | |
| column & | set_type (const char *new_type) |
| Write access. | |
| bool | is_active () const |
| Test. | |
| int | array_size () const |
| Read-only access. | |
| int | array_capacity () const |
| Read-only access. | |
| std::string | path () const |
| Read-only access. | |
| column | get_other (const char *label) const |
| Shorthand for mtz_object().get_column(label) . | |
| float const & | float_datum (int i) const |
| Read-only access. Not available from Python. | |
| float & | float_datum (int i) |
| Write access. Not available from Python. | |
| bool | is_ccp4_nan (int i) const |
| Test. Not available from Python. | |
| int | int_datum (int i) const |
| Read-only access. Not available from Python. | |
| int | n_valid_values () const |
| Count of all values in this column which are not "not-a-number.". | |
| af::shared< float > | extract_valid_values () const |
| All values in this column which are not "not-a-number.". | |
| af::shared< bool > | selection_valid () const |
| Bool selection of elements which are not "not-a-number.". | |
| af::shared< float > | extract_values (float not_a_number_substitute=0) const |
| Copy of values in this column. | |
| void | set_values (af::const_ref< float > const &values, af::const_ref< bool > const &selection_valid) const |
| Copy values into this column. | |
| void | set_values (af::const_ref< float > const &values) const |
| Copy values into this column. | |
| af::shared< int > | set_reals (af::const_ref< cctbx::miller::index<> > const &miller_indices, af::const_ref< double > const &data) |
| Write access given Miller indices and corresponding data. | |
| void | set_reals (af::const_ref< int > const &mtz_reflection_indices, af::const_ref< double > const &data) |
| Write access given Miller indices and mtz_reflection_indices returned from a previous call of the other set_reals() overload. | |
A column object contains (owns) an iotbx::mtz::dataset and an integer index into the list of columns owned by the dataset.
Initialization given a mtz_dataset and an integer index into the list of columns owned by the mtz_dataset.
An exception is thrown if i_column is out of range.
| CMtz::MTZCOL* ptr | ( | ) | const |
Raw C pointer. Not available from Python.
An exception is thrown if i_column() is out of range.
Referenced by column::array_capacity(), column::array_size(), column::float_datum(), column::is_active(), column::label(), and column::type().
| column& set_label | ( | const char * | new_label | ) |
Write access.
An exception is thrown if the new_label is used already by any other column in the mtz_object().
| af::shared<float> extract_values | ( | float | not_a_number_substitute = 0 |
) | const |
Copy of values in this column.
"not-a-number" elements are replaced by not_a_number_substitute.
| void set_values | ( | af::const_ref< float > const & | values, | |
| af::const_ref< bool > const & | selection_valid | |||
| ) | const |
Copy values into this column.
selection_valid[i] == false indicates "not-a-number".
Referenced by column::set_values().
1.5.6