Source Code for Module generic_fns.frame_order

  1  ############################################################################### 
  2  #                                                                             # 
  3  # Copyright (C) 2009-2012 Edward d'Auvergne                                   # 
  4  #                                                                             # 
  5  # This file is part of the program relax.                                     # 
  6  #                                                                             # 
  7  # relax is free software; you can redistribute it and/or modify               # 
  8  # it under the terms of the GNU General Public License as published by        # 
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 10  # (at your option) any later version.                                         # 
 11  #                                                                             # 
 12  # relax is distributed in the hope that it will be useful,                    # 
 13  # but WITHOUT ANY WARRANTY; without even the implied warranty of              # 
 14  # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the               # 
 15  # GNU General Public License for more details.                                # 
 16  #                                                                             # 
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 19  # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA   # 
 20  #                                                                             # 
 21  ############################################################################### 
 22   
 23  # Module docstring. 
 24  """Module containing functions related to the Frame Order theories.""" 
 25   
 26  # Python module imports. 
 27  from numpy import array, matrix 
 28  import sys 
 29   
 30  # relax module imports. 
 31  from float import isNaN 
 32   
 33   
 34 -def print_frame_order_2nd_degree(daeg, name=None, epsilon=1e-15, integer=False, dot=False, comma=True): 
 35      """Nicely print out the Frame Order matrix of the 2nd degree. 
 36   
 37      @param daeg:        The 3D, rank-4 Frame Order matrix. 
 38      @type daeg:         numpy 3D, rank-4 array 
 39      @keyword name:      The name of the matrix. 
 40      @type name:         None or str 
 41      @keyword epsilon:   The minimum value, below which is considered zero. 
 42      @type epsilon:      float 
 43      @keyword integer:   A flag which if true will only print the integer part of the number. 
 44      @type integer:      bool 
 45      @keyword dot:       A flag which if true replaces all zeros with dot characters. 
 46      @type dot:          bool 
 47      @keyword comma:     A flag which if true causes commas to be printed between the elements. 
 48      @type comma:        bool 
 49      """ 
 50   
 51      # Default name. 
 52      if not name: 
 53          name = 'Frame Order matrix, 2nd degree' 
 54   
 55      # Header and first row start. 
 56      sys.stdout.write("\n%s:\n" % name) 
 57      sys.stdout.write('[[') 
 58   
 59      # Convert to an array, if necessary. 
 60      if isinstance(daeg, matrix): 
 61          daeg = array(daeg) 
 62   
 63      # Loop over the rows. 
 64      for i in range(len(daeg)): 
 65          # 2nd to last row start. 
 66          if i != 0: 
 67              sys.stdout.write(' [') 
 68   
 69          # Row end character. 
 70          char2 = '' 
 71          if comma: 
 72              char2 = ',' 
 73          if i == len(daeg) - 1: 
 74              char2 = ']' 
 75   
 76          # Loop over the columns. 
 77          for j in range(len(daeg[i])): 
 78              # Column end character. 
 79              char1 = '' 
 80              if comma: 
 81                  char1 = ',' 
 82              if j == len(daeg[i]) - 1: 
 83                  char1 = ']%s\n' % char2 
 84   
 85              # Write out the elements. 
 86              if abs(daeg[i, j]) > epsilon: 
 87                  # Integer printout. 
 88                  if integer: 
 89                      val = int(daeg[i, j]) 
 90                      format = "%4i%s" 
 91   
 92                  # Float printout. 
 93                  else: 
 94                      val = daeg[i, j] 
 95                      format = "%10.4f%s" 
 96   
 97              # NaN. 
 98              elif isNaN(daeg[i, j]): 
 99                  val = 'NaN' 
100                  if integer: 
101                      format = "%4i%s" 
102                  else: 
103                      format = "%10s%s" 
104   
105              # Write out the zero elements. 
106              else: 
107                  # Integer printout. 
108                  if integer: 
109                      format = "%4s%s" 
110   
111                  # Float printout. 
112                  else: 
113                      format = "%10s%s" 
114   
115                  # The character. 
116                  if dot: 
117                      val = '.' 
118                  else: 
119                      val = '0' 
120   
121              # Write. 
122              sys.stdout.write(format % (val, char1)) 
123