Source Code for Module lib.frame_order.free_rotor

 1  ############################################################################### 
 2  #                                                                             # 
 3  # Copyright (C) 2009-2013 Edward d'Auvergne                                   # 
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 5  # This file is part of the program relax (http://www.nmr-relax.com).          # 
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21   
22  # Module docstring. 
23  """Module for the handling of Frame Order.""" 
24   
25  # relax module imports. 
26  from lib.frame_order.matrix_ops import rotate_daeg 
27   
28   
29 -def compile_2nd_matrix_free_rotor(matrix, Rx2_eigen): 
30      """Generate the rotated 2nd degree Frame Order matrix for the free rotor model. 
31   
32      The rotor axis is assumed to be parallel to the z-axis in the eigenframe. 
33   
34   
35      @param matrix:      The Frame Order matrix, 2nd degree to be populated. 
36      @type matrix:       numpy 9D, rank-2 array 
37      @param Rx2_eigen:   The Kronecker product of the eigenframe rotation matrix with itself. 
38      @type Rx2_eigen:    numpy 9D, rank-2 array 
39      """ 
40   
41      # Zeros. 
42      for i in range(9): 
43          for j in range(9): 
44              matrix[i, j] = 0.0 
45   
46      # Diagonal. 
47      matrix[0, 0] = 0.5 
48      matrix[1, 1] = 0.5 
49      matrix[3, 3] = 0.5 
50      matrix[4, 4] = 0.5 
51      matrix[8, 8] = 1 
52   
53      # Off diagonal set 1. 
54      matrix[0, 4] = matrix[4, 0] = 0.5 
55   
56      # Off diagonal set 2. 
57      matrix[1, 3] = matrix[3, 1] = -0.5 
58   
59      # Rotate and return the frame order matrix. 
60      return rotate_daeg(matrix, Rx2_eigen) 
61