Package specific_analyses :: Package frame_order :: Module data
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Module data

source code

Module for handling the frame order data in the relax data store.

Functions [hide private]
list of str
base_data_types()
Determine all the base data types.
source code
str
domain_moving()
Return the spin ID string corresponding to the moving domain.
source code
numpy 3D rank-1 float64 array
generate_pivot(order=1, sim_index=None, pipe_name=None, pdb_limit=False)
Create and return the given pivot.
source code
bool
pivot_fixed()
Determine if the pivot is fixed or not.
source code
(int, AlignTensorData instance)
tensor_loop(red=False)
Generator method for looping over the full or reduced tensors.
source code
Variables [hide private]
  __package__ = 'specific_analyses.frame_order'

Imports: array, float64, zeros, warn, RelaxError, MODEL_DOUBLE_ROTOR, MODEL_RIGID, RelaxWarning, euler_to_R_zyz, pipes, interatomic_loop, spin_loop, check_pipe, check_model, check_pivot


Function Details [hide private]

base_data_types()

source code 

Determine all the base data types.

The base data types can include:

   - 'rdc', residual dipolar couplings.
   - 'pcs', pseudo-contact shifts.
Returns: list of str
A list of all the base data types.

domain_moving()

source code 

Return the spin ID string corresponding to the moving domain.

Returns: str
The spin ID string defining the moving domain.

generate_pivot(order=1, sim_index=None, pipe_name=None, pdb_limit=False)

source code 

Create and return the given pivot.

Parameters:
  • order (int) - The pivot number with 1 corresponding to the first pivot, 2 to the second, etc.
  • sim_index (None or int) - The optional Monte Carlo simulation index. If provided, the pivot for the given simulation will be returned instead.
  • pipe_name (str) - The data pipe
  • pdb_limit (bool) - A flag which if True will cause the coordinate to be between -1000 and 1000.
Returns: numpy 3D rank-1 float64 array
The give pivot point.

pivot_fixed()

source code 

Determine if the pivot is fixed or not.

Returns: bool
The answer to the question.

tensor_loop(red=False)

source code 

Generator method for looping over the full or reduced tensors.

Parameters:
  • red (bool) - A flag which if True causes the reduced tensors to be returned, and if False the full tensors are returned.
Returns: (int, AlignTensorData instance)
The tensor index and the tensor.