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Module for the support of diffusion tensors.
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float |
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bool |
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list of len 2 of floats |
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float |
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str |
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str |
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uf_tables = Uf_tables()
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__default_value_doc__ = Desc_container("Diffusion tensor param
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__return_data_name_doc__ = Desc_container("Diffusion tensor pa
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table = uf_tables.add_table(label= "table: diff data type patt
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__set_doc__ = Desc_container("Diffusion tensor set details")
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__package__ =
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Imports: deepcopy, cos, pi, sin, float64, int32, zeros, search, string, DiffTensorData, tensor_eigen_system, tensor_info_table, RelaxError, RelaxNoTensorError, RelaxStrError, RelaxTensorError, RelaxUnknownParamCombError, RelaxUnknownParamError, element_from_isotope, number_from_isotope, pipes, fold_spherical_angles, wrap_angles, return_interatom_list, get_molecule_names, return_spin, spin_loop, Uf_tables, Desc_container
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Read the relaxation data from the NMR-STAR dictionary object.
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Generate the diffusion tensor saveframes for the NMR-STAR dictionary object.
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Function for copying diffusion tensor data from one data pipe to another.
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Return the default values for the diffusion tensor parameters.
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Function for determining if diffusion data exists in the current data pipe.
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Function for setting up a ellipsoidal diffusion tensor.
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Wrap the Euler or spherical angles and remove the glide reflection and translational symmetries. Wrap the angles such that: 0 <= theta <= pi, 0 <= phi <= 2pi, and: 0 <= alpha <= 2pi, 0 <= beta <= pi, 0 <= gamma <= 2pi. For the simulated values, the angles are wrapped as: theta - pi/2 <= theta_sim <= theta + pi/2 phi - pi <= phi_sim <= phi + pi and: alpha - pi <= alpha_sim <= alpha + pi beta - pi/2 <= beta_sim <= beta + pi/2 gamma - pi <= gamma_sim <= gamma + pi
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Function for initialising the diffusion tensor.
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The function for creating bounds for the mapping function.
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Function for returning the factor of conversion between different parameter units. For example, the internal representation of tm is in seconds, whereas the external representation is in nanoseconds, therefore this function will return 1e-9 for tm.
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Return the parameter name.
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Function for returning a string representing the parameters units. For example, the internal representation of tm is in seconds, whereas the external representation is in nanoseconds, therefore this function will return the string 'nanoseconds' for tm.
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Set the diffusion tensor parameters.
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Function for setting up a spherical diffusion tensor.
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Function for setting up a spheroidal diffusion tensor.
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Function for calculating the unit axes of the diffusion tensor. SpheroidThe unit Dpar vector is: | sin(theta) * cos(phi) | Dpar = | sin(theta) * sin(phi) | | cos(theta) | EllipsoidThe unit Dx vector is: | -sin(alpha) * sin(gamma) + cos(alpha) * cos(beta) * cos(gamma) | Dx = | -sin(alpha) * cos(gamma) - cos(alpha) * cos(beta) * sin(gamma) | | cos(alpha) * sin(beta) | The unit Dy vector is: | cos(alpha) * sin(gamma) + sin(alpha) * cos(beta) * cos(gamma) | Dy = | cos(alpha) * cos(gamma) - sin(alpha) * cos(beta) * sin(gamma) | | sin(alpha) * sin(beta) | The unit Dz vector is: | -sin(beta) * cos(gamma) | Dz = | sin(beta) * sin(gamma) | | cos(beta) | |
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__default_value_doc__
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__return_data_name_doc__
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table
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