Module data
source code
Module for handling the frame order data in the relax data store.
list of str
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str
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numpy 3D rank-1 float64 array
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bool
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(int, AlignTensorData instance)
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__package__ = ' specific_analyses.frame_order '
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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
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.
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Return the spin ID string corresponding to the moving domain.
- Returns: str
- The spin ID string defining the moving domain.
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generate_pivot(order=1,
sim_index=None,
pipe_name=None,
pdb_limit=False)
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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.
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Determine if the pivot is fixed or not.
- Returns: bool
- The answer to the question.
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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.
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